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 Single : A 30 SER OG : rot 157:sc= 1.08 USER MOD Single : A 31 ASN : amide:sc=-0.00645 X(o=-0.0065,f=0) USER MOD Single : A 32 THR OG1 : rot 146:sc= 0.575 USER MOD Single : A 44 GLN : amide:sc= 0.611 K(o=0.61,f=-0.072) USER MOD Single : A 46 SER OG : rot 75:sc= 1.3 USER MOD Single : A 49 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 58 MET CE :methyl -171:sc= -1.72 (180deg=-1.91) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.67 (180deg=1.3) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 0.862 (180deg=0.513) USER MOD Single : A 65 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 77 SER OG : rot -110:sc= 1.78 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0.429 (180deg=0.0338) USER MOD Single : A 86 HIS : no HE2:sc= 0.47 K(o=0.47,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= 0.743 (180deg=0.452) USER MOD Single : A 89 SER OG : rot 45:sc= 0.049 USER MOD Single : A 92 ASN : amide:sc= 0.324 X(o=0.32,f=0) USER MOD Single : A 93 GLN : amide:sc= 0.423 K(o=0.42,f=-0.087) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.597 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.946 9.380 6.776 1.00 0.00 N ATOM 36 CA SER A 30 5.895 9.220 5.310 1.00 0.00 C ATOM 37 C SER A 30 4.572 9.743 4.701 1.00 0.00 C ATOM 38 O SER A 30 4.499 9.960 3.499 1.00 0.00 O ATOM 39 CB SER A 30 6.078 7.739 4.966 1.00 0.00 C ATOM 40 OG SER A 30 7.316 7.272 5.465 1.00 0.00 O ATOM 0 HA SER A 30 6.699 9.817 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.262 7.155 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.038 7.601 3.885 1.00 0.00 H new ATOM 0 HG SER A 30 7.279 6.299 5.574 1.00 0.00 H new ATOM 46 N ASN A 31 3.541 9.956 5.537 1.00 0.00 N ATOM 47 CA ASN A 31 2.181 10.483 5.297 1.00 0.00 C ATOM 48 C ASN A 31 1.323 9.850 4.178 1.00 0.00 C ATOM 49 O ASN A 31 0.130 10.152 4.105 1.00 0.00 O ATOM 50 CB ASN A 31 2.203 12.001 5.053 1.00 0.00 C ATOM 51 CG ASN A 31 3.041 12.856 5.988 1.00 0.00 C ATOM 52 OD1 ASN A 31 3.073 12.691 7.199 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.701 13.839 5.417 1.00 0.00 N ATOM 0 H ASN A 31 3.655 9.734 6.526 1.00 0.00 H new ATOM 0 HA ASN A 31 1.691 10.197 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.556 12.172 4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.176 12.363 5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.253 14.481 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.661 13.960 4.405 1.00 0.00 H new ATOM 60 N THR A 32 1.874 9.006 3.297 1.00 0.00 N ATOM 61 CA THR A 32 1.191 8.639 2.048 1.00 0.00 C ATOM 62 C THR A 32 1.433 7.212 1.534 1.00 0.00 C ATOM 63 O THR A 32 1.245 6.970 0.344 1.00 0.00 O ATOM 64 CB THR A 32 1.585 9.642 0.930 1.00 0.00 C ATOM 65 OG1 THR A 32 2.921 9.434 0.526 1.00 0.00 O ATOM 66 CG2 THR A 32 1.494 11.124 1.311 1.00 0.00 C ATOM 0 H THR A 32 2.785 8.566 3.424 1.00 0.00 H new ATOM 0 HA THR A 32 0.130 8.680 2.296 1.00 0.00 H new ATOM 0 HB THR A 32 0.856 9.442 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.005 9.616 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.790 11.737 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.469 11.365 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.158 11.325 2.152 1.00 0.00 H new ATOM 74 N ARG A 33 1.823 6.241 2.383 1.00 0.00 N ATOM 75 CA ARG A 33 2.345 4.941 1.907 1.00 0.00 C ATOM 76 C ARG A 33 1.720 3.697 2.511 1.00 0.00 C ATOM 77 O ARG A 33 1.698 3.461 3.713 1.00 0.00 O ATOM 78 CB ARG A 33 3.845 4.830 2.148 1.00 0.00 C ATOM 79 CG ARG A 33 4.721 5.499 1.114 1.00 0.00 C ATOM 80 CD ARG A 33 6.208 5.546 1.477 1.00 0.00 C ATOM 81 NE ARG A 33 7.015 5.613 0.252 1.00 0.00 N ATOM 82 CZ ARG A 33 8.137 4.990 -0.038 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.835 4.316 0.816 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.574 5.055 -1.254 1.00 0.00 N ATOM 0 H ARG A 33 1.787 6.330 3.398 1.00 0.00 H new ATOM 0 HA ARG A 33 2.080 4.958 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.071 5.260 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.111 3.774 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.608 4.974 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.365 6.518 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.411 6.413 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.479 4.662 2.055 1.00 0.00 H new ATOM 0 HE ARG A 33 6.655 6.229 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.524 4.243 1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.697 3.857 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.052 5.579 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.441 4.583 -1.510 1.00 0.00 H new ATOM 98 N LEU A 34 1.322 2.810 1.628 1.00 0.00 N ATOM 99 CA LEU A 34 0.527 1.658 1.974 1.00 0.00 C ATOM 100 C LEU A 34 1.382 0.391 1.953 1.00 0.00 C ATOM 101 O LEU A 34 1.837 -0.051 0.902 1.00 0.00 O ATOM 102 CB LEU A 34 -0.716 1.607 1.085 1.00 0.00 C ATOM 103 CG LEU A 34 -1.456 2.943 0.780 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.606 3.925 1.945 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.838 3.661 -0.417 1.00 0.00 C ATOM 0 H LEU A 34 1.546 2.871 0.635 1.00 0.00 H new ATOM 0 HA LEU A 34 0.162 1.736 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.427 1.161 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.431 0.929 1.550 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.471 2.614 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.137 4.814 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.168 3.452 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.619 4.209 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.378 4.589 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.208 3.885 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.902 3.022 -1.297 1.00 0.00 H new ATOM 117 N PHE A 35 1.605 -0.161 3.145 1.00 0.00 N ATOM 118 CA PHE A 35 2.538 -1.236 3.464 1.00 0.00 C ATOM 119 C PHE A 35 1.716 -2.516 3.549 1.00 0.00 C ATOM 120 O PHE A 35 1.047 -2.866 4.522 1.00 0.00 O ATOM 121 CB PHE A 35 3.416 -0.806 4.639 1.00 0.00 C ATOM 122 CG PHE A 35 4.403 -1.797 5.242 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.852 -2.929 4.528 1.00 0.00 C ATOM 124 CD2 PHE A 35 4.989 -1.497 6.485 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.881 -3.735 5.042 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.018 -2.305 7.007 1.00 0.00 C ATOM 127 CZ PHE A 35 6.469 -3.422 6.284 1.00 0.00 C ATOM 0 H PHE A 35 1.100 0.156 3.972 1.00 0.00 H new ATOM 0 HA PHE A 35 3.292 -1.458 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.985 0.067 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.752 -0.478 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.401 -3.177 3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.647 -0.639 7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.222 -4.595 4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.460 -2.066 7.963 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.263 -4.038 6.678 1.00 0.00 H new ATOM 137 N VAL A 36 1.704 -3.159 2.399 1.00 0.00 N ATOM 138 CA VAL A 36 0.735 -4.159 1.985 1.00 0.00 C ATOM 139 C VAL A 36 1.484 -5.434 1.643 1.00 0.00 C ATOM 140 O VAL A 36 2.012 -5.622 0.550 1.00 0.00 O ATOM 141 CB VAL A 36 -0.040 -3.449 0.867 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.929 -4.244 -0.036 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.981 -2.409 1.501 1.00 0.00 C ATOM 0 H VAL A 36 2.412 -2.989 1.685 1.00 0.00 H new ATOM 0 HA VAL A 36 0.011 -4.503 2.724 1.00 0.00 H new ATOM 0 HB VAL A 36 0.774 -3.079 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.395 -3.580 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.338 -4.997 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.702 -4.735 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.538 -1.897 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.678 -2.910 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.394 -1.682 2.063 1.00 0.00 H new ATOM 153 N ARG A 37 1.594 -6.286 2.657 1.00 0.00 N ATOM 154 CA ARG A 37 2.465 -7.473 2.697 1.00 0.00 C ATOM 155 C ARG A 37 1.813 -8.830 3.071 1.00 0.00 C ATOM 156 O ARG A 37 2.553 -9.732 3.476 1.00 0.00 O ATOM 157 CB ARG A 37 3.650 -7.122 3.626 1.00 0.00 C ATOM 158 CG ARG A 37 3.197 -6.746 5.049 1.00 0.00 C ATOM 159 CD ARG A 37 4.295 -6.924 6.105 1.00 0.00 C ATOM 160 NE ARG A 37 3.751 -6.746 7.471 1.00 0.00 N ATOM 161 CZ ARG A 37 3.476 -5.608 8.081 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.723 -4.440 7.578 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.928 -5.581 9.264 1.00 0.00 N ATOM 0 H ARG A 37 1.057 -6.169 3.516 1.00 0.00 H new ATOM 0 HA ARG A 37 2.774 -7.672 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.330 -7.972 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.210 -6.292 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.863 -5.708 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.338 -7.358 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.737 -7.916 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.093 -6.202 5.930 1.00 0.00 H new ATOM 0 HE ARG A 37 3.568 -7.599 8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.155 -4.362 6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.485 -3.598 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.701 -6.454 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.726 -4.687 9.712 1.00 0.00 H new ATOM 177 N PRO A 38 0.479 -9.045 2.987 1.00 0.00 N ATOM 178 CA PRO A 38 -0.114 -10.320 3.400 1.00 0.00 C ATOM 179 C PRO A 38 0.185 -11.473 2.435 1.00 0.00 C ATOM 180 O PRO A 38 0.307 -12.626 2.860 1.00 0.00 O ATOM 181 CB PRO A 38 -1.625 -10.074 3.413 1.00 0.00 C ATOM 182 CG PRO A 38 -1.819 -9.027 2.339 1.00 0.00 C ATOM 183 CD PRO A 38 -0.581 -8.153 2.535 1.00 0.00 C ATOM 0 HA PRO A 38 0.299 -10.617 4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.182 -10.984 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.966 -9.720 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.858 -9.465 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.743 -8.465 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.303 -7.658 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.770 -7.370 3.269 1.00 0.00 H new ATOM 191 N PHE A 39 0.248 -11.137 1.146 1.00 0.00 N ATOM 192 CA PHE A 39 0.293 -12.040 0.007 1.00 0.00 C ATOM 193 C PHE A 39 1.674 -12.683 -0.196 1.00 0.00 C ATOM 194 O PHE A 39 2.686 -12.123 0.235 1.00 0.00 O ATOM 195 CB PHE A 39 -0.046 -11.259 -1.274 1.00 0.00 C ATOM 196 CG PHE A 39 -0.683 -9.887 -1.129 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.131 -8.760 -0.897 1.00 0.00 C ATOM 198 CD2 PHE A 39 -2.073 -9.714 -1.294 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.430 -7.481 -0.929 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.628 -8.423 -1.306 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.804 -7.303 -1.156 1.00 0.00 C ATOM 0 H PHE A 39 0.270 -10.159 0.856 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.428 -12.832 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.875 -11.140 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.716 -11.876 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.185 -8.885 -0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.713 -10.576 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.201 -6.618 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.693 -8.295 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.221 -6.309 -1.214 1.00 0.00 H new ATOM 211 N PRO A 40 1.748 -13.820 -0.907 1.00 0.00 N ATOM 212 CA PRO A 40 3.007 -14.334 -1.427 1.00 0.00 C ATOM 213 C PRO A 40 3.388 -13.585 -2.728 1.00 0.00 C ATOM 214 O PRO A 40 2.885 -12.493 -2.999 1.00 0.00 O ATOM 215 CB PRO A 40 2.786 -15.848 -1.626 1.00 0.00 C ATOM 216 CG PRO A 40 1.361 -16.126 -1.144 1.00 0.00 C ATOM 217 CD PRO A 40 0.679 -14.763 -1.183 1.00 0.00 C ATOM 0 HA PRO A 40 3.848 -14.174 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.906 -16.127 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.512 -16.428 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.855 -16.843 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.356 -16.545 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.223 -14.574 -2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.115 -14.694 -0.439 1.00 0.00 H new ATOM 225 N LEU A 41 4.262 -14.169 -3.555 1.00 0.00 N ATOM 226 CA LEU A 41 4.707 -13.634 -4.855 1.00 0.00 C ATOM 227 C LEU A 41 3.563 -13.290 -5.842 1.00 0.00 C ATOM 228 O LEU A 41 3.803 -12.638 -6.857 1.00 0.00 O ATOM 229 CB LEU A 41 5.676 -14.637 -5.527 1.00 0.00 C ATOM 230 CG LEU A 41 6.972 -15.046 -4.796 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.719 -13.842 -4.228 1.00 0.00 C ATOM 232 CD2 LEU A 41 6.763 -16.063 -3.667 1.00 0.00 C ATOM 0 H LEU A 41 4.699 -15.063 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 41 5.203 -12.690 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.114 -15.548 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.963 -14.218 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 41 7.568 -15.525 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.624 -14.180 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.988 -13.165 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.080 -13.320 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.722 -16.297 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.093 -15.642 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.325 -16.974 -4.075 1.00 0.00 H new ATOM 244 N ASP A 42 2.333 -13.735 -5.572 1.00 0.00 N ATOM 245 CA ASP A 42 1.129 -13.537 -6.381 1.00 0.00 C ATOM 246 C ASP A 42 0.714 -12.064 -6.581 1.00 0.00 C ATOM 247 O ASP A 42 0.162 -11.740 -7.637 1.00 0.00 O ATOM 248 CB ASP A 42 -0.040 -14.306 -5.746 1.00 0.00 C ATOM 249 CG ASP A 42 0.220 -15.817 -5.664 1.00 0.00 C ATOM 250 OD1 ASP A 42 0.900 -16.257 -4.701 1.00 0.00 O ATOM 251 OD2 ASP A 42 -0.264 -16.570 -6.537 1.00 0.00 O ATOM 0 H ASP A 42 2.140 -14.277 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 42 1.375 -13.915 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.223 -13.918 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.945 -14.128 -6.327 1.00 0.00 H new ATOM 256 N VAL A 43 0.966 -11.163 -5.624 1.00 0.00 N ATOM 257 CA VAL A 43 0.608 -9.732 -5.754 1.00 0.00 C ATOM 258 C VAL A 43 1.466 -9.020 -6.807 1.00 0.00 C ATOM 259 O VAL A 43 2.687 -9.178 -6.846 1.00 0.00 O ATOM 260 CB VAL A 43 0.648 -8.979 -4.405 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.036 -8.921 -3.749 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.099 -7.549 -4.552 1.00 0.00 C ATOM 0 H VAL A 43 1.420 -11.396 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.427 -9.713 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 43 0.011 -9.566 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.971 -8.375 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.390 -9.934 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.733 -8.413 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.139 -7.043 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.702 -7.000 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.934 -7.590 -4.898 1.00 0.00 H new ATOM 272 N GLN A 44 0.824 -8.183 -7.623 1.00 0.00 N ATOM 273 CA GLN A 44 1.468 -7.279 -8.577 1.00 0.00 C ATOM 274 C GLN A 44 0.699 -5.948 -8.619 1.00 0.00 C ATOM 275 O GLN A 44 -0.366 -5.800 -8.007 1.00 0.00 O ATOM 276 CB GLN A 44 1.534 -7.864 -10.014 1.00 0.00 C ATOM 277 CG GLN A 44 1.554 -9.387 -10.232 1.00 0.00 C ATOM 278 CD GLN A 44 2.800 -10.111 -9.728 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.935 -9.680 -9.892 1.00 0.00 O ATOM 280 NE2 GLN A 44 2.619 -11.267 -9.121 1.00 0.00 N ATOM 0 H GLN A 44 -0.194 -8.113 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 44 2.492 -7.132 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.678 -7.471 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.429 -7.459 -10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.682 -9.818 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.448 -9.584 -11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.675 -11.628 -8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.423 -11.800 -8.789 1.00 0.00 H new ATOM 289 N GLU A 45 1.186 -4.983 -9.400 1.00 0.00 N ATOM 290 CA GLU A 45 0.475 -3.727 -9.638 1.00 0.00 C ATOM 291 C GLU A 45 -0.949 -3.903 -10.195 1.00 0.00 C ATOM 292 O GLU A 45 -1.770 -3.021 -9.977 1.00 0.00 O ATOM 293 CB GLU A 45 1.319 -2.769 -10.495 1.00 0.00 C ATOM 294 CG GLU A 45 1.435 -3.153 -11.974 1.00 0.00 C ATOM 295 CD GLU A 45 2.292 -4.406 -12.268 1.00 0.00 C ATOM 296 OE1 GLU A 45 3.186 -4.757 -11.459 1.00 0.00 O ATOM 297 OE2 GLU A 45 2.074 -5.047 -13.323 1.00 0.00 O ATOM 0 H GLU A 45 2.081 -5.050 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 45 0.333 -3.273 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.888 -1.770 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.321 -2.713 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.433 -3.318 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.857 -2.309 -12.519 1.00 0.00 H new ATOM 304 N SER A 46 -1.287 -5.023 -10.841 1.00 0.00 N ATOM 305 CA SER A 46 -2.657 -5.354 -11.284 1.00 0.00 C ATOM 306 C SER A 46 -3.617 -5.705 -10.125 1.00 0.00 C ATOM 307 O SER A 46 -4.807 -5.380 -10.165 1.00 0.00 O ATOM 308 CB SER A 46 -2.631 -6.512 -12.300 1.00 0.00 C ATOM 309 OG SER A 46 -1.565 -7.429 -12.088 1.00 0.00 O ATOM 0 H SER A 46 -0.606 -5.744 -11.079 1.00 0.00 H new ATOM 0 HA SER A 46 -3.044 -4.449 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.578 -7.050 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.551 -6.100 -13.306 1.00 0.00 H new ATOM 0 HG SER A 46 -1.767 -7.992 -11.311 1.00 0.00 H new ATOM 315 N GLU A 47 -3.116 -6.319 -9.060 1.00 0.00 N ATOM 316 CA GLU A 47 -3.879 -6.766 -7.898 1.00 0.00 C ATOM 317 C GLU A 47 -4.054 -5.576 -6.959 1.00 0.00 C ATOM 318 O GLU A 47 -5.118 -5.332 -6.384 1.00 0.00 O ATOM 319 CB GLU A 47 -3.045 -7.867 -7.229 1.00 0.00 C ATOM 320 CG GLU A 47 -3.250 -9.251 -7.864 1.00 0.00 C ATOM 321 CD GLU A 47 -2.920 -9.334 -9.366 1.00 0.00 C ATOM 322 OE1 GLU A 47 -1.840 -8.860 -9.789 1.00 0.00 O ATOM 323 OE2 GLU A 47 -3.747 -9.882 -10.134 1.00 0.00 O ATOM 0 H GLU A 47 -2.121 -6.529 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.865 -7.148 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.990 -7.600 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.303 -7.918 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.632 -9.974 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.288 -9.551 -7.718 1.00 0.00 H new ATOM 330 N LEU A 48 -3.004 -4.760 -6.890 1.00 0.00 N ATOM 331 CA LEU A 48 -3.072 -3.467 -6.262 1.00 0.00 C ATOM 332 C LEU A 48 -4.012 -2.563 -7.079 1.00 0.00 C ATOM 333 O LEU A 48 -4.822 -1.864 -6.500 1.00 0.00 O ATOM 334 CB LEU A 48 -1.643 -2.944 -6.155 1.00 0.00 C ATOM 335 CG LEU A 48 -0.703 -3.869 -5.359 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.743 -3.547 -5.629 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.839 -3.694 -3.872 1.00 0.00 C ATOM 0 H LEU A 48 -2.086 -4.989 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.490 -3.503 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.240 -2.807 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.659 -1.962 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.983 -4.874 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.379 -4.218 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.952 -3.674 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.946 -2.516 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.153 -4.371 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.600 -2.665 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.862 -3.919 -3.571 1.00 0.00 H new ATOM 349 N ASN A 49 -4.026 -2.625 -8.409 1.00 0.00 N ATOM 350 CA ASN A 49 -5.035 -1.894 -9.210 1.00 0.00 C ATOM 351 C ASN A 49 -6.477 -2.317 -8.869 1.00 0.00 C ATOM 352 O ASN A 49 -7.356 -1.461 -8.776 1.00 0.00 O ATOM 353 CB ASN A 49 -4.776 -2.012 -10.721 1.00 0.00 C ATOM 354 CG ASN A 49 -4.084 -0.789 -11.297 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.709 0.115 -11.839 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.777 -0.729 -11.223 1.00 0.00 N ATOM 0 H ASN A 49 -3.361 -3.166 -8.961 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.928 -0.844 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.164 -2.894 -10.912 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.724 -2.164 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.280 0.070 -11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.257 -1.481 -10.772 1.00 0.00 H new ATOM 363 N GLU A 50 -6.724 -3.608 -8.635 1.00 0.00 N ATOM 364 CA GLU A 50 -8.021 -4.096 -8.134 1.00 0.00 C ATOM 365 C GLU A 50 -8.405 -3.523 -6.755 1.00 0.00 C ATOM 366 O GLU A 50 -9.562 -3.154 -6.538 1.00 0.00 O ATOM 367 CB GLU A 50 -8.003 -5.630 -8.076 1.00 0.00 C ATOM 368 CG GLU A 50 -8.354 -6.302 -9.405 1.00 0.00 C ATOM 369 CD GLU A 50 -9.862 -6.241 -9.724 1.00 0.00 C ATOM 370 OE1 GLU A 50 -10.608 -7.164 -9.310 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.313 -5.282 -10.396 1.00 0.00 O ATOM 0 H GLU A 50 -6.036 -4.346 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.780 -3.746 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.013 -5.961 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.707 -5.964 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.797 -5.821 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.035 -7.344 -9.376 1.00 0.00 H new ATOM 378 N ILE A 51 -7.453 -3.439 -5.819 1.00 0.00 N ATOM 379 CA ILE A 51 -7.699 -3.003 -4.426 1.00 0.00 C ATOM 380 C ILE A 51 -7.695 -1.468 -4.243 1.00 0.00 C ATOM 381 O ILE A 51 -8.493 -0.940 -3.466 1.00 0.00 O ATOM 382 CB ILE A 51 -6.615 -3.643 -3.533 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.791 -5.176 -3.426 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.554 -3.008 -2.130 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.536 -5.891 -2.902 1.00 0.00 C ATOM 0 H ILE A 51 -6.477 -3.673 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.700 -3.329 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.663 -3.441 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.629 -5.394 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.047 -5.576 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.775 -3.495 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.328 -1.945 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.515 -3.133 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.723 -6.964 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.701 -5.701 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.292 -5.517 -1.908 1.00 0.00 H new ATOM 397 N PHE A 52 -6.789 -0.763 -4.928 1.00 0.00 N ATOM 398 CA PHE A 52 -6.454 0.660 -4.742 1.00 0.00 C ATOM 399 C PHE A 52 -7.110 1.567 -5.790 1.00 0.00 C ATOM 400 O PHE A 52 -7.393 2.734 -5.523 1.00 0.00 O ATOM 401 CB PHE A 52 -4.951 0.875 -4.852 1.00 0.00 C ATOM 402 CG PHE A 52 -4.134 0.314 -3.709 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.972 -1.072 -3.559 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.503 1.185 -2.816 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.137 -1.594 -2.572 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.643 0.662 -1.842 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.415 -0.717 -1.763 1.00 0.00 C ATOM 0 H PHE A 52 -6.236 -1.191 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.827 0.921 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.603 0.425 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.758 1.945 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.502 -1.744 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.677 2.249 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.051 -2.662 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.152 1.327 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.678 -1.103 -1.074 1.00 0.00 H new ATOM 417 N GLY A 53 -7.397 1.030 -6.984 1.00 0.00 N ATOM 418 CA GLY A 53 -8.191 1.695 -8.013 1.00 0.00 C ATOM 419 C GLY A 53 -9.502 2.349 -7.526 1.00 0.00 C ATOM 420 O GLY A 53 -9.815 3.443 -8.005 1.00 0.00 O ATOM 0 H GLY A 53 -7.075 0.103 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.575 2.463 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.435 0.966 -8.786 1.00 0.00 H new ATOM 424 N PRO A 54 -10.256 1.773 -6.559 1.00 0.00 N ATOM 425 CA PRO A 54 -11.431 2.420 -5.958 1.00 0.00 C ATOM 426 C PRO A 54 -11.147 3.752 -5.236 1.00 0.00 C ATOM 427 O PRO A 54 -12.058 4.570 -5.086 1.00 0.00 O ATOM 428 CB PRO A 54 -12.023 1.392 -4.984 1.00 0.00 C ATOM 429 CG PRO A 54 -11.470 0.055 -5.465 1.00 0.00 C ATOM 430 CD PRO A 54 -10.082 0.465 -5.940 1.00 0.00 C ATOM 0 HA PRO A 54 -12.118 2.702 -6.756 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.724 1.600 -3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.113 1.403 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.430 -0.685 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.070 -0.374 -6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.380 0.515 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.681 -0.257 -6.652 1.00 0.00 H new ATOM 438 N PHE A 55 -9.911 3.988 -4.765 1.00 0.00 N ATOM 439 CA PHE A 55 -9.514 5.219 -4.057 1.00 0.00 C ATOM 440 C PHE A 55 -9.387 6.397 -5.028 1.00 0.00 C ATOM 441 O PHE A 55 -9.738 7.534 -4.703 1.00 0.00 O ATOM 442 CB PHE A 55 -8.140 5.049 -3.381 1.00 0.00 C ATOM 443 CG PHE A 55 -7.870 3.779 -2.616 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.921 2.996 -2.102 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.535 3.385 -2.411 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.651 1.831 -1.377 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.271 2.287 -1.569 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.326 1.503 -1.088 1.00 0.00 C ATOM 0 H PHE A 55 -9.147 3.319 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.289 5.413 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.376 5.140 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.001 5.885 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.945 3.298 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.726 3.916 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.457 1.194 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.254 2.050 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.112 0.633 -0.485 1.00 0.00 H new ATOM 458 N GLY A 56 -8.844 6.096 -6.201 1.00 0.00 N ATOM 459 CA GLY A 56 -8.505 7.043 -7.246 1.00 0.00 C ATOM 460 C GLY A 56 -6.998 7.039 -7.529 1.00 0.00 C ATOM 461 O GLY A 56 -6.569 6.327 -8.446 1.00 0.00 O ATOM 0 H GLY A 56 -8.618 5.135 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.050 6.794 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.820 8.044 -6.950 1.00 0.00 H new ATOM 465 N PRO A 57 -6.178 7.791 -6.765 1.00 0.00 N ATOM 466 CA PRO A 57 -4.717 7.751 -6.877 1.00 0.00 C ATOM 467 C PRO A 57 -4.092 6.384 -6.539 1.00 0.00 C ATOM 468 O PRO A 57 -4.717 5.520 -5.923 1.00 0.00 O ATOM 469 CB PRO A 57 -4.192 8.847 -5.944 1.00 0.00 C ATOM 470 CG PRO A 57 -5.395 9.766 -5.751 1.00 0.00 C ATOM 471 CD PRO A 57 -6.559 8.779 -5.762 1.00 0.00 C ATOM 0 HA PRO A 57 -4.432 7.917 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.847 8.434 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.349 9.379 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.339 10.319 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.478 10.502 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.701 8.320 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.496 9.271 -6.023 1.00 0.00 H new ATOM 479 N MET A 58 -2.822 6.236 -6.935 1.00 0.00 N ATOM 480 CA MET A 58 -1.872 5.122 -6.710 1.00 0.00 C ATOM 481 C MET A 58 -0.589 5.431 -7.487 1.00 0.00 C ATOM 482 O MET A 58 -0.248 4.836 -8.511 1.00 0.00 O ATOM 483 CB MET A 58 -2.442 3.729 -6.975 1.00 0.00 C ATOM 484 CG MET A 58 -3.267 3.553 -8.254 1.00 0.00 C ATOM 485 SD MET A 58 -4.060 1.928 -8.439 1.00 0.00 S ATOM 486 CE MET A 58 -2.822 0.862 -7.654 1.00 0.00 C ATOM 0 H MET A 58 -2.378 6.973 -7.483 1.00 0.00 H new ATOM 0 HA MET A 58 -1.646 5.068 -5.645 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.613 3.023 -7.006 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.067 3.450 -6.126 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.039 4.322 -8.279 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.618 3.724 -9.113 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.080 -0.183 -7.826 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.841 1.068 -8.081 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.799 1.059 -6.582 1.00 0.00 H new ATOM 496 N LYS A 59 0.048 6.497 -7.006 1.00 0.00 N ATOM 497 CA LYS A 59 1.154 7.233 -7.596 1.00 0.00 C ATOM 498 C LYS A 59 2.459 6.442 -7.637 1.00 0.00 C ATOM 499 O LYS A 59 3.241 6.598 -8.580 1.00 0.00 O ATOM 500 CB LYS A 59 1.247 8.468 -6.699 1.00 0.00 C ATOM 501 CG LYS A 59 2.076 9.635 -7.179 1.00 0.00 C ATOM 502 CD LYS A 59 3.570 9.569 -6.871 1.00 0.00 C ATOM 503 CE LYS A 59 4.025 9.151 -5.472 1.00 0.00 C ATOM 504 NZ LYS A 59 5.512 9.139 -5.374 1.00 0.00 N ATOM 0 H LYS A 59 -0.226 6.901 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 59 0.986 7.469 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.234 8.829 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.645 8.151 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.952 9.723 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.674 10.546 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.022 8.878 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.990 10.554 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.614 9.838 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.634 8.160 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.793 9.002 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.892 8.362 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.890 10.044 -5.720 1.00 0.00 H new ATOM 518 N GLU A 60 2.677 5.570 -6.660 1.00 0.00 N ATOM 519 CA GLU A 60 3.756 4.579 -6.685 1.00 0.00 C ATOM 520 C GLU A 60 3.266 3.254 -6.142 1.00 0.00 C ATOM 521 O GLU A 60 2.291 3.198 -5.397 1.00 0.00 O ATOM 522 CB GLU A 60 5.031 5.098 -5.995 1.00 0.00 C ATOM 523 CG GLU A 60 6.298 4.900 -6.830 1.00 0.00 C ATOM 524 CD GLU A 60 7.471 5.700 -6.235 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.394 6.956 -6.238 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.464 5.075 -5.784 1.00 0.00 O ATOM 0 H GLU A 60 2.105 5.527 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 60 4.048 4.406 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.911 6.159 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.151 4.588 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.554 3.841 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.117 5.219 -7.856 1.00 0.00 H new ATOM 533 N VAL A 61 3.905 2.184 -6.605 1.00 0.00 N ATOM 534 CA VAL A 61 3.436 0.812 -6.440 1.00 0.00 C ATOM 535 C VAL A 61 4.647 -0.119 -6.441 1.00 0.00 C ATOM 536 O VAL A 61 4.879 -0.885 -7.377 1.00 0.00 O ATOM 537 CB VAL A 61 2.412 0.455 -7.564 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.604 -0.772 -7.161 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.379 1.526 -7.954 1.00 0.00 C ATOM 0 H VAL A 61 4.784 2.248 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 61 2.914 0.696 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 61 3.059 0.314 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.892 -1.014 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.276 -1.616 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.064 -0.565 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.735 1.140 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.773 1.781 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.896 2.417 -8.310 1.00 0.00 H new ATOM 549 N LYS A 62 5.499 0.027 -5.426 1.00 0.00 N ATOM 550 CA LYS A 62 6.762 -0.713 -5.318 1.00 0.00 C ATOM 551 C LYS A 62 6.445 -2.178 -5.011 1.00 0.00 C ATOM 552 O LYS A 62 5.850 -2.448 -3.976 1.00 0.00 O ATOM 553 CB LYS A 62 7.643 -0.078 -4.232 1.00 0.00 C ATOM 554 CG LYS A 62 7.760 1.456 -4.356 1.00 0.00 C ATOM 555 CD LYS A 62 8.751 2.042 -3.337 1.00 0.00 C ATOM 556 CE LYS A 62 10.165 2.102 -3.925 1.00 0.00 C ATOM 557 NZ LYS A 62 10.461 3.441 -4.504 1.00 0.00 N ATOM 0 H LYS A 62 5.333 0.666 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 62 7.317 -0.668 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.234 -0.326 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.640 -0.516 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.082 1.715 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.779 1.908 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.431 3.042 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.754 1.432 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.893 1.872 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.272 1.340 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.182 3.346 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.593 3.842 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.815 4.072 -3.757 1.00 0.00 H new ATOM 571 N ILE A 63 6.812 -3.107 -5.890 1.00 0.00 N ATOM 572 CA ILE A 63 6.509 -4.550 -5.775 1.00 0.00 C ATOM 573 C ILE A 63 7.787 -5.352 -5.492 1.00 0.00 C ATOM 574 O ILE A 63 8.770 -5.282 -6.236 1.00 0.00 O ATOM 575 CB ILE A 63 5.859 -5.145 -7.052 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.768 -4.311 -7.743 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.328 -6.564 -6.768 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.484 -4.080 -6.946 1.00 0.00 C ATOM 0 H ILE A 63 7.344 -2.881 -6.730 1.00 0.00 H new ATOM 0 HA ILE A 63 5.799 -4.630 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 63 6.678 -5.152 -7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.191 -3.340 -7.999 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.505 -4.801 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.874 -6.970 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.152 -7.205 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.581 -6.521 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.792 -3.480 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.023 -5.040 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.720 -3.555 -6.020 1.00 0.00 H new ATOM 590 N LEU A 64 7.749 -6.135 -4.414 1.00 0.00 N ATOM 591 CA LEU A 64 8.806 -6.995 -3.899 1.00 0.00 C ATOM 592 C LEU A 64 8.231 -8.390 -3.559 1.00 0.00 C ATOM 593 O LEU A 64 7.031 -8.620 -3.699 1.00 0.00 O ATOM 594 CB LEU A 64 9.411 -6.315 -2.654 1.00 0.00 C ATOM 595 CG LEU A 64 10.058 -4.928 -2.864 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.131 -3.741 -3.168 1.00 0.00 C ATOM 597 CD2 LEU A 64 10.863 -4.609 -1.620 1.00 0.00 C ATOM 0 H LEU A 64 6.911 -6.186 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 64 9.587 -7.138 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.624 -6.213 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.165 -6.982 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 64 10.648 -5.030 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.727 -2.836 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.577 -3.938 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.431 -3.606 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.336 -3.633 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.202 -4.594 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.630 -5.370 -1.478 1.00 0.00 H new ATOM 609 N ASN A 65 9.092 -9.304 -3.096 1.00 0.00 N ATOM 610 CA ASN A 65 8.925 -10.763 -2.872 1.00 0.00 C ATOM 611 C ASN A 65 7.787 -11.231 -1.919 1.00 0.00 C ATOM 612 O ASN A 65 7.997 -12.039 -1.012 1.00 0.00 O ATOM 613 CB ASN A 65 10.261 -11.285 -2.327 1.00 0.00 C ATOM 614 CG ASN A 65 11.476 -10.894 -3.150 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.653 -11.317 -4.281 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.336 -10.050 -2.622 1.00 0.00 N ATOM 0 H ASN A 65 10.035 -9.015 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 65 8.627 -11.167 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.393 -10.915 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.214 -12.372 -2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.150 -9.749 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.189 -9.696 -1.677 1.00 0.00 H new ATOM 623 N GLY A 66 6.585 -10.700 -2.082 1.00 0.00 N ATOM 624 CA GLY A 66 5.453 -10.840 -1.175 1.00 0.00 C ATOM 625 C GLY A 66 5.007 -9.504 -0.571 1.00 0.00 C ATOM 626 O GLY A 66 4.150 -9.481 0.305 1.00 0.00 O ATOM 0 H GLY A 66 6.359 -10.128 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.617 -11.288 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.720 -11.526 -0.371 1.00 0.00 H new ATOM 630 N PHE A 67 5.588 -8.383 -1.024 1.00 0.00 N ATOM 631 CA PHE A 67 5.351 -7.066 -0.427 1.00 0.00 C ATOM 632 C PHE A 67 5.048 -6.024 -1.506 1.00 0.00 C ATOM 633 O PHE A 67 5.652 -6.004 -2.573 1.00 0.00 O ATOM 634 CB PHE A 67 6.553 -6.619 0.426 1.00 0.00 C ATOM 635 CG PHE A 67 7.258 -7.686 1.256 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.163 -8.573 0.633 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.049 -7.773 2.643 1.00 0.00 C ATOM 638 CE1 PHE A 67 8.800 -9.577 1.385 1.00 0.00 C ATOM 639 CE2 PHE A 67 7.687 -8.774 3.400 1.00 0.00 C ATOM 640 CZ PHE A 67 8.555 -9.683 2.765 1.00 0.00 C ATOM 0 H PHE A 67 6.234 -8.367 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 67 4.482 -7.150 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.289 -6.168 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.213 -5.835 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.367 -8.480 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.394 -7.067 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.477 -10.266 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.511 -8.844 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.033 -10.463 3.339 1.00 0.00 H new ATOM 650 N ALA A 68 4.146 -5.114 -1.186 1.00 0.00 N ATOM 651 CA ALA A 68 3.776 -3.941 -1.964 1.00 0.00 C ATOM 652 C ALA A 68 3.906 -2.728 -1.043 1.00 0.00 C ATOM 653 O ALA A 68 3.468 -2.748 0.105 1.00 0.00 O ATOM 654 CB ALA A 68 2.356 -4.117 -2.476 1.00 0.00 C ATOM 0 H ALA A 68 3.616 -5.177 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 68 4.421 -3.802 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.069 -3.243 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.303 -5.007 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.676 -4.228 -1.631 1.00 0.00 H new ATOM 660 N PHE A 69 4.496 -1.665 -1.574 1.00 0.00 N ATOM 661 CA PHE A 69 4.620 -0.384 -0.897 1.00 0.00 C ATOM 662 C PHE A 69 4.071 0.641 -1.866 1.00 0.00 C ATOM 663 O PHE A 69 4.758 1.186 -2.739 1.00 0.00 O ATOM 664 CB PHE A 69 6.042 -0.047 -0.410 1.00 0.00 C ATOM 665 CG PHE A 69 6.817 -1.195 0.194 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.227 -2.248 -0.631 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.149 -1.217 1.562 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.914 -3.339 -0.099 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.907 -2.290 2.083 1.00 0.00 C ATOM 670 CZ PHE A 69 8.305 -3.347 1.234 1.00 0.00 C ATOM 0 H PHE A 69 4.910 -1.671 -2.506 1.00 0.00 H new ATOM 0 HA PHE A 69 4.058 -0.402 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.611 0.348 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.973 0.750 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.010 -2.216 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.826 -0.417 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.144 -4.185 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.181 -2.302 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.909 -4.155 1.619 1.00 0.00 H new ATOM 680 N VAL A 70 2.757 0.765 -1.795 1.00 0.00 N ATOM 681 CA VAL A 70 2.012 1.700 -2.620 1.00 0.00 C ATOM 682 C VAL A 70 2.182 3.086 -2.014 1.00 0.00 C ATOM 683 O VAL A 70 2.597 3.237 -0.861 1.00 0.00 O ATOM 684 CB VAL A 70 0.567 1.212 -2.811 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.138 1.717 -4.053 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.564 -0.277 -3.117 1.00 0.00 C ATOM 0 H VAL A 70 2.175 0.218 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 70 2.394 1.761 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 70 0.084 1.548 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.149 1.311 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.184 2.806 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.412 1.398 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.462 -0.619 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.131 -0.462 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.021 -0.819 -2.290 1.00 0.00 H new ATOM 696 N GLU A 71 1.899 4.118 -2.781 1.00 0.00 N ATOM 697 CA GLU A 71 2.222 5.487 -2.418 1.00 0.00 C ATOM 698 C GLU A 71 1.305 6.450 -3.160 1.00 0.00 C ATOM 699 O GLU A 71 0.898 6.191 -4.294 1.00 0.00 O ATOM 700 CB GLU A 71 3.668 5.766 -2.850 1.00 0.00 C ATOM 701 CG GLU A 71 4.212 7.044 -2.200 1.00 0.00 C ATOM 702 CD GLU A 71 5.691 7.308 -2.495 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.505 6.364 -2.419 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.054 8.474 -2.774 1.00 0.00 O ATOM 0 H GLU A 71 1.433 4.032 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 71 2.098 5.622 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.300 4.921 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.713 5.861 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.625 7.895 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.073 6.979 -1.121 1.00 0.00 H new ATOM 711 N PHE A 72 1.091 7.608 -2.545 1.00 0.00 N ATOM 712 CA PHE A 72 0.407 8.743 -3.147 1.00 0.00 C ATOM 713 C PHE A 72 1.210 10.035 -2.962 1.00 0.00 C ATOM 714 O PHE A 72 2.108 10.119 -2.128 1.00 0.00 O ATOM 715 CB PHE A 72 -0.990 8.833 -2.521 1.00 0.00 C ATOM 716 CG PHE A 72 -1.756 7.530 -2.341 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.141 6.742 -3.447 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.143 7.135 -1.049 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.879 5.560 -3.250 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.944 5.997 -0.876 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.300 5.201 -1.968 1.00 0.00 C ATOM 0 H PHE A 72 1.397 7.786 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 72 0.312 8.604 -4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.893 9.306 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.595 9.498 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.869 7.047 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.824 7.707 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.120 4.929 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.290 5.733 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.897 4.313 -1.821 1.00 0.00 H new ATOM 731 N GLU A 73 0.907 11.054 -3.767 1.00 0.00 N ATOM 732 CA GLU A 73 1.579 12.363 -3.677 1.00 0.00 C ATOM 733 C GLU A 73 0.889 13.329 -2.688 1.00 0.00 C ATOM 734 O GLU A 73 1.342 14.460 -2.495 1.00 0.00 O ATOM 735 CB GLU A 73 1.778 12.962 -5.084 1.00 0.00 C ATOM 736 CG GLU A 73 0.481 13.168 -5.880 1.00 0.00 C ATOM 737 CD GLU A 73 0.772 13.768 -7.267 1.00 0.00 C ATOM 738 OE1 GLU A 73 1.159 13.015 -8.196 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.605 14.999 -7.452 1.00 0.00 O ATOM 0 H GLU A 73 0.196 11.003 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 73 2.569 12.202 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.286 13.922 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.438 12.308 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.035 12.215 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.187 13.828 -5.328 1.00 0.00 H new ATOM 746 N GLU A 74 -0.191 12.887 -2.026 1.00 0.00 N ATOM 747 CA GLU A 74 -0.951 13.623 -1.001 1.00 0.00 C ATOM 748 C GLU A 74 -1.549 12.676 0.057 1.00 0.00 C ATOM 749 O GLU A 74 -1.504 11.451 -0.074 1.00 0.00 O ATOM 750 CB GLU A 74 -2.017 14.523 -1.669 1.00 0.00 C ATOM 751 CG GLU A 74 -2.790 13.917 -2.859 1.00 0.00 C ATOM 752 CD GLU A 74 -3.479 12.586 -2.523 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.214 12.527 -1.505 1.00 0.00 O ATOM 754 OE2 GLU A 74 -3.294 11.608 -3.284 1.00 0.00 O ATOM 0 H GLU A 74 -0.579 11.960 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.264 14.275 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.740 14.816 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.527 15.435 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.541 14.631 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.101 13.762 -3.689 1.00 0.00 H new ATOM 761 N ALA A 75 -2.084 13.236 1.154 1.00 0.00 N ATOM 762 CA ALA A 75 -2.489 12.479 2.346 1.00 0.00 C ATOM 763 C ALA A 75 -3.982 12.103 2.393 1.00 0.00 C ATOM 764 O ALA A 75 -4.419 11.419 3.322 1.00 0.00 O ATOM 765 CB ALA A 75 -2.037 13.262 3.592 1.00 0.00 C ATOM 0 H ALA A 75 -2.249 14.239 1.237 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.992 11.510 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.328 12.717 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.954 13.380 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.509 14.245 3.595 1.00 0.00 H new ATOM 771 N GLU A 76 -4.774 12.497 1.397 1.00 0.00 N ATOM 772 CA GLU A 76 -6.202 12.172 1.320 1.00 0.00 C ATOM 773 C GLU A 76 -6.457 10.793 0.718 1.00 0.00 C ATOM 774 O GLU A 76 -7.307 10.057 1.230 1.00 0.00 O ATOM 775 CB GLU A 76 -6.917 13.242 0.483 1.00 0.00 C ATOM 776 CG GLU A 76 -7.530 14.275 1.425 1.00 0.00 C ATOM 777 CD GLU A 76 -8.800 13.730 2.122 1.00 0.00 C ATOM 778 OE1 GLU A 76 -9.611 13.027 1.465 1.00 0.00 O ATOM 779 OE2 GLU A 76 -8.995 14.003 3.329 1.00 0.00 O ATOM 0 H GLU A 76 -4.441 13.057 0.612 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.593 12.155 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.213 13.722 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.692 12.785 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.796 14.562 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.780 15.176 0.864 1.00 0.00 H new ATOM 786 N SER A 77 -5.707 10.415 -0.315 1.00 0.00 N ATOM 787 CA SER A 77 -5.715 9.038 -0.805 1.00 0.00 C ATOM 788 C SER A 77 -5.210 8.089 0.266 1.00 0.00 C ATOM 789 O SER A 77 -5.754 7.005 0.426 1.00 0.00 O ATOM 790 CB SER A 77 -4.894 8.887 -2.083 1.00 0.00 C ATOM 791 OG SER A 77 -5.181 7.642 -2.688 1.00 0.00 O ATOM 0 H SER A 77 -5.087 11.042 -0.828 1.00 0.00 H new ATOM 0 HA SER A 77 -6.747 8.781 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.124 9.699 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.830 8.955 -1.854 1.00 0.00 H new ATOM 0 HG SER A 77 -4.403 7.051 -2.606 1.00 0.00 H new ATOM 797 N ALA A 78 -4.241 8.514 1.087 1.00 0.00 N ATOM 798 CA ALA A 78 -3.779 7.737 2.229 1.00 0.00 C ATOM 799 C ALA A 78 -4.868 7.585 3.302 1.00 0.00 C ATOM 800 O ALA A 78 -5.186 6.455 3.668 1.00 0.00 O ATOM 801 CB ALA A 78 -2.488 8.356 2.758 1.00 0.00 C ATOM 0 H ALA A 78 -3.760 9.406 0.973 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.560 6.717 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.133 7.782 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.731 8.344 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.677 9.385 3.065 1.00 0.00 H new ATOM 807 N ALA A 79 -5.500 8.681 3.741 1.00 0.00 N ATOM 808 CA ALA A 79 -6.596 8.656 4.717 1.00 0.00 C ATOM 809 C ALA A 79 -7.735 7.713 4.297 1.00 0.00 C ATOM 810 O ALA A 79 -8.168 6.857 5.081 1.00 0.00 O ATOM 811 CB ALA A 79 -7.093 10.090 4.938 1.00 0.00 C ATOM 0 H ALA A 79 -5.262 9.621 3.424 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.219 8.255 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.908 10.085 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.276 10.704 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.449 10.501 3.993 1.00 0.00 H new ATOM 817 N LYS A 80 -8.185 7.806 3.038 1.00 0.00 N ATOM 818 CA LYS A 80 -9.204 6.872 2.551 1.00 0.00 C ATOM 819 C LYS A 80 -8.677 5.463 2.341 1.00 0.00 C ATOM 820 O LYS A 80 -9.371 4.532 2.718 1.00 0.00 O ATOM 821 CB LYS A 80 -9.925 7.390 1.301 1.00 0.00 C ATOM 822 CG LYS A 80 -9.072 7.391 0.025 1.00 0.00 C ATOM 823 CD LYS A 80 -9.750 8.141 -1.136 1.00 0.00 C ATOM 824 CE LYS A 80 -9.497 9.663 -1.234 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.884 10.427 -0.013 1.00 0.00 N ATOM 0 H LYS A 80 -7.870 8.497 2.357 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.941 6.811 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.811 6.779 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.271 8.406 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.107 7.852 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.874 6.362 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.425 7.683 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.826 7.981 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.439 9.832 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.050 10.058 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.944 11.440 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.809 10.094 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.170 10.281 0.729 1.00 0.00 H new ATOM 839 N ALA A 81 -7.459 5.286 1.834 1.00 0.00 N ATOM 840 CA ALA A 81 -6.857 3.963 1.677 1.00 0.00 C ATOM 841 C ALA A 81 -6.868 3.229 3.044 1.00 0.00 C ATOM 842 O ALA A 81 -7.319 2.086 3.144 1.00 0.00 O ATOM 843 CB ALA A 81 -5.439 4.071 1.120 1.00 0.00 C ATOM 0 H ALA A 81 -6.863 6.052 1.521 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.442 3.386 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.013 3.073 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.467 4.560 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.823 4.657 1.803 1.00 0.00 H new ATOM 849 N ILE A 82 -6.459 3.930 4.116 1.00 0.00 N ATOM 850 CA ILE A 82 -6.532 3.452 5.498 1.00 0.00 C ATOM 851 C ILE A 82 -7.960 3.018 5.838 1.00 0.00 C ATOM 852 O ILE A 82 -8.205 1.849 6.145 1.00 0.00 O ATOM 853 CB ILE A 82 -6.024 4.513 6.505 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.518 4.824 6.376 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.282 4.111 7.974 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.228 6.283 6.718 1.00 0.00 C ATOM 0 H ILE A 82 -6.060 4.866 4.038 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.873 2.588 5.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.599 5.402 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.950 4.172 7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.185 4.612 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.906 4.891 8.636 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.353 3.985 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.770 3.173 8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.160 6.475 6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.778 6.933 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.539 6.485 7.743 1.00 0.00 H new ATOM 868 N GLU A 83 -8.924 3.933 5.743 1.00 0.00 N ATOM 869 CA GLU A 83 -10.313 3.624 6.105 1.00 0.00 C ATOM 870 C GLU A 83 -10.971 2.546 5.212 1.00 0.00 C ATOM 871 O GLU A 83 -11.872 1.838 5.661 1.00 0.00 O ATOM 872 CB GLU A 83 -11.127 4.924 6.162 1.00 0.00 C ATOM 873 CG GLU A 83 -10.667 5.860 7.298 1.00 0.00 C ATOM 874 CD GLU A 83 -10.951 5.281 8.697 1.00 0.00 C ATOM 875 OE1 GLU A 83 -12.113 5.359 9.171 1.00 0.00 O ATOM 876 OE2 GLU A 83 -10.017 4.753 9.352 1.00 0.00 O ATOM 0 H GLU A 83 -8.774 4.889 5.421 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.301 3.170 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.040 5.445 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.181 4.683 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.598 6.049 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.171 6.821 7.198 1.00 0.00 H new ATOM 883 N GLU A 84 -10.478 2.336 3.982 1.00 0.00 N ATOM 884 CA GLU A 84 -10.964 1.335 3.019 1.00 0.00 C ATOM 885 C GLU A 84 -10.428 -0.079 3.304 1.00 0.00 C ATOM 886 O GLU A 84 -11.167 -1.052 3.138 1.00 0.00 O ATOM 887 CB GLU A 84 -10.518 1.695 1.577 1.00 0.00 C ATOM 888 CG GLU A 84 -11.279 2.827 0.867 1.00 0.00 C ATOM 889 CD GLU A 84 -12.724 2.480 0.437 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.164 1.311 0.553 1.00 0.00 O ATOM 891 OE2 GLU A 84 -13.443 3.398 -0.017 1.00 0.00 O ATOM 0 H GLU A 84 -9.698 2.881 3.616 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.049 1.343 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.462 1.965 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.600 0.797 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.312 3.692 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.715 3.124 -0.017 1.00 0.00 H new ATOM 898 N VAL A 85 -9.158 -0.215 3.722 1.00 0.00 N ATOM 899 CA VAL A 85 -8.468 -1.526 3.743 1.00 0.00 C ATOM 900 C VAL A 85 -7.345 -1.704 4.785 1.00 0.00 C ATOM 901 O VAL A 85 -6.853 -2.815 4.966 1.00 0.00 O ATOM 902 CB VAL A 85 -8.040 -1.861 2.289 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.127 -0.807 1.668 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.435 -3.250 2.082 1.00 0.00 C ATOM 0 H VAL A 85 -8.585 0.563 4.050 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.184 -2.262 4.109 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.995 -1.858 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.866 -1.104 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.643 0.153 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.219 -0.716 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.172 -3.379 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.540 -3.352 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.161 -4.010 2.370 1.00 0.00 H new ATOM 914 N HIS A 86 -6.986 -0.698 5.591 1.00 0.00 N ATOM 915 CA HIS A 86 -6.082 -0.906 6.748 1.00 0.00 C ATOM 916 C HIS A 86 -6.677 -1.845 7.805 1.00 0.00 C ATOM 917 O HIS A 86 -7.686 -1.523 8.438 1.00 0.00 O ATOM 918 CB HIS A 86 -5.712 0.416 7.427 1.00 0.00 C ATOM 919 CG HIS A 86 -4.660 0.279 8.508 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.349 0.675 8.400 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.818 -0.227 9.771 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.723 0.401 9.556 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.580 -0.157 10.428 1.00 0.00 N ATOM 0 H HIS A 86 -7.301 0.265 5.472 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.188 -1.369 6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.352 1.113 6.670 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.611 0.853 7.862 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.923 1.105 7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.736 -0.613 10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.681 0.600 9.756 1.00 0.00 H new ATOM 931 N GLY A 87 -6.036 -2.994 8.035 1.00 0.00 N ATOM 932 CA GLY A 87 -6.334 -3.902 9.155 1.00 0.00 C ATOM 933 C GLY A 87 -7.414 -4.926 8.811 1.00 0.00 C ATOM 934 O GLY A 87 -7.755 -5.791 9.618 1.00 0.00 O ATOM 0 H GLY A 87 -5.280 -3.329 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.423 -4.425 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.655 -3.317 10.017 1.00 0.00 H new ATOM 938 N LYS A 88 -7.933 -4.827 7.581 1.00 0.00 N ATOM 939 CA LYS A 88 -8.795 -5.793 6.922 1.00 0.00 C ATOM 940 C LYS A 88 -7.922 -6.971 6.495 1.00 0.00 C ATOM 941 O LYS A 88 -6.786 -6.762 6.080 1.00 0.00 O ATOM 942 CB LYS A 88 -9.366 -5.108 5.684 1.00 0.00 C ATOM 943 CG LYS A 88 -10.543 -4.140 5.910 1.00 0.00 C ATOM 944 CD LYS A 88 -10.174 -2.899 6.742 1.00 0.00 C ATOM 945 CE LYS A 88 -11.132 -1.733 6.479 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.637 -0.457 7.068 1.00 0.00 N ATOM 0 H LYS A 88 -7.745 -4.017 6.990 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.599 -6.141 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.561 -4.557 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.690 -5.880 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.926 -3.817 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.350 -4.675 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.193 -3.153 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.155 -2.593 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.264 -1.608 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.111 -1.968 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.093 0.346 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.866 -0.431 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.606 -0.394 6.944 1.00 0.00 H new ATOM 960 N SER A 89 -8.433 -8.191 6.582 1.00 0.00 N ATOM 961 CA SER A 89 -7.674 -9.424 6.324 1.00 0.00 C ATOM 962 C SER A 89 -7.684 -9.806 4.836 1.00 0.00 C ATOM 963 O SER A 89 -8.638 -10.435 4.368 1.00 0.00 O ATOM 964 CB SER A 89 -8.188 -10.567 7.220 1.00 0.00 C ATOM 965 OG SER A 89 -9.600 -10.698 7.184 1.00 0.00 O ATOM 0 H SER A 89 -9.405 -8.363 6.838 1.00 0.00 H new ATOM 0 HA SER A 89 -6.631 -9.239 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.732 -11.505 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.870 -10.389 8.247 1.00 0.00 H new ATOM 0 HG SER A 89 -9.911 -10.636 6.257 1.00 0.00 H new ATOM 971 N PHE A 90 -6.641 -9.442 4.071 1.00 0.00 N ATOM 972 CA PHE A 90 -6.519 -9.889 2.675 1.00 0.00 C ATOM 973 C PHE A 90 -5.731 -11.208 2.569 1.00 0.00 C ATOM 974 O PHE A 90 -4.732 -11.394 3.266 1.00 0.00 O ATOM 975 CB PHE A 90 -5.910 -8.767 1.829 1.00 0.00 C ATOM 976 CG PHE A 90 -6.132 -8.973 0.346 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.379 -9.920 -0.364 1.00 0.00 C ATOM 978 CD2 PHE A 90 -7.191 -8.298 -0.286 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.709 -10.228 -1.689 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.511 -8.590 -1.622 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.783 -9.571 -2.313 1.00 0.00 C ATOM 0 H PHE A 90 -5.878 -8.846 4.392 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.512 -10.105 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.345 -7.813 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.840 -8.706 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.544 -10.412 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.758 -7.555 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.139 -10.969 -2.230 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.314 -8.062 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.050 -9.822 -3.329 1.00 0.00 H new ATOM 991 N ALA A 91 -6.163 -12.107 1.679 1.00 0.00 N ATOM 992 CA ALA A 91 -5.608 -13.438 1.375 1.00 0.00 C ATOM 993 C ALA A 91 -5.514 -14.426 2.563 1.00 0.00 C ATOM 994 O ALA A 91 -6.109 -15.506 2.523 1.00 0.00 O ATOM 995 CB ALA A 91 -4.255 -13.265 0.664 1.00 0.00 C ATOM 0 H ALA A 91 -6.980 -11.909 1.101 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.331 -13.922 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.836 -14.245 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.399 -12.707 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.570 -12.721 1.314 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.778 -14.061 3.615 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.489 -14.859 4.802 1.00 0.00 C ATOM 1003 C ASN A 92 -4.155 -14.001 6.052 1.00 0.00 C ATOM 1004 O ASN A 92 -4.058 -14.565 7.144 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.360 -15.863 4.457 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.193 -15.254 3.689 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -2.164 -15.233 2.471 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.196 -14.727 4.364 1.00 0.00 N ATOM 0 H ASN A 92 -4.341 -13.140 3.660 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.390 -15.405 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.983 -16.300 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.782 -16.678 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.410 -14.307 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.208 -14.738 5.384 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.981 -12.671 5.932 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.600 -11.779 7.041 1.00 0.00 C ATOM 1017 C GLN A 93 -3.888 -10.286 6.743 1.00 0.00 C ATOM 1018 O GLN A 93 -4.172 -9.921 5.594 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.126 -12.048 7.425 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.078 -11.725 6.359 1.00 0.00 C ATOM 1021 CD GLN A 93 0.324 -12.215 6.733 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.744 -12.186 7.887 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.109 -12.695 5.789 1.00 0.00 N ATOM 0 H GLN A 93 -4.104 -12.179 5.047 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.228 -12.007 7.902 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.894 -11.469 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.029 -13.100 7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.376 -12.180 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.050 -10.647 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.783 -12.730 4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.043 -13.032 6.024 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.890 -9.395 7.750 1.00 0.00 N ATOM 1033 CA PRO A 94 -4.204 -7.989 7.523 1.00 0.00 C ATOM 1034 C PRO A 94 -3.090 -7.134 6.916 1.00 0.00 C ATOM 1035 O PRO A 94 -1.894 -7.418 7.001 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.650 -7.430 8.873 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.926 -8.332 9.872 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.952 -9.687 9.180 1.00 0.00 C ATOM 0 HA PRO A 94 -4.979 -7.942 6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.364 -6.385 8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.732 -7.480 8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.907 -7.993 10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.435 -8.360 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.109 -10.303 9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.859 -10.238 9.429 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.549 -6.038 6.310 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.771 -4.960 5.712 1.00 0.00 C ATOM 1048 C LEU A 95 -2.233 -3.932 6.728 1.00 0.00 C ATOM 1049 O LEU A 95 -2.788 -3.766 7.810 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.727 -4.244 4.734 1.00 0.00 C ATOM 1051 CG LEU A 95 -4.110 -4.945 3.424 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.008 -5.822 2.859 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.382 -5.759 3.514 1.00 0.00 C ATOM 0 H LEU A 95 -4.551 -5.871 6.219 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.890 -5.388 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.649 -4.028 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.277 -3.286 4.475 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.280 -4.113 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.350 -6.285 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.127 -5.214 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.755 -6.598 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.586 -6.223 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.265 -6.534 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.212 -5.107 3.786 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.230 -3.148 6.305 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.688 -1.980 7.032 1.00 0.00 C ATOM 1067 C GLU A 96 -0.599 -0.760 6.083 1.00 0.00 C ATOM 1068 O GLU A 96 0.422 -0.104 5.873 1.00 0.00 O ATOM 1069 CB GLU A 96 0.640 -2.356 7.697 1.00 0.00 C ATOM 1070 CG GLU A 96 0.967 -1.429 8.876 1.00 0.00 C ATOM 1071 CD GLU A 96 2.410 -1.632 9.362 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.807 -2.795 9.620 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.154 -0.633 9.503 1.00 0.00 O ATOM 0 H GLU A 96 -0.755 -3.312 5.417 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.359 -1.683 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.593 -3.387 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.443 -2.306 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.825 -0.391 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.275 -1.621 9.696 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.728 -0.499 5.431 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.998 0.614 4.497 1.00 0.00 C ATOM 1082 C VAL A 97 -1.897 1.911 5.294 1.00 0.00 C ATOM 1083 O VAL A 97 -2.804 2.161 6.085 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.437 0.434 3.994 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.998 1.582 3.172 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.559 -0.832 3.140 1.00 0.00 C ATOM 0 H VAL A 97 -2.545 -1.099 5.543 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.301 0.635 3.660 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.020 0.379 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.019 1.348 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.996 2.493 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.382 1.730 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.587 -0.940 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.893 -0.757 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.284 -1.702 3.737 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.821 2.709 5.199 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.610 3.720 6.239 1.00 0.00 C ATOM 1098 C VAL A 98 0.321 4.872 5.823 1.00 0.00 C ATOM 1099 O VAL A 98 0.209 5.465 4.741 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.181 2.890 7.498 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.304 2.519 7.724 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.963 3.419 8.691 1.00 0.00 C ATOM 0 H VAL A 98 -0.122 2.678 4.457 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.510 4.296 6.456 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.460 1.857 7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.400 1.946 8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.661 1.921 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.899 3.429 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.686 2.860 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.733 4.474 8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.031 3.302 8.507 1.00 0.00 H new ATOM 1112 N TYR A 99 1.227 5.226 6.718 1.00 0.00 N ATOM 1113 CA TYR A 99 2.397 6.055 6.498 1.00 0.00 C ATOM 1114 C TYR A 99 3.606 5.100 6.513 1.00 0.00 C ATOM 1115 O TYR A 99 4.336 5.055 7.508 1.00 0.00 O ATOM 1116 CB TYR A 99 2.466 7.143 7.587 1.00 0.00 C ATOM 1117 CG TYR A 99 1.241 8.029 7.769 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.314 8.235 6.731 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.065 8.706 8.993 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.753 9.138 6.896 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -0.012 9.596 9.171 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.923 9.821 8.120 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.945 10.706 8.288 1.00 0.00 O ATOM 0 H TYR A 99 1.158 4.918 7.688 1.00 0.00 H new ATOM 0 HA TYR A 99 2.372 6.587 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.673 6.654 8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.318 7.787 7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.422 7.697 5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.762 8.541 9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.444 9.309 6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.140 10.107 10.114 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.908 11.081 9.193 1.00 0.00 H new ATOM 1133 N SER A 100 3.737 4.225 5.508 1.00 0.00 N ATOM 1134 CA SER A 100 4.728 3.134 5.519 1.00 0.00 C ATOM 1135 C SER A 100 6.135 3.535 5.997 1.00 0.00 C ATOM 1136 O SER A 100 6.670 4.578 5.620 1.00 0.00 O ATOM 1137 CB SER A 100 4.810 2.348 4.218 1.00 0.00 C ATOM 1138 OG SER A 100 5.830 1.371 4.323 1.00 0.00 O ATOM 0 H SER A 100 3.163 4.250 4.666 1.00 0.00 H new ATOM 0 HA SER A 100 4.321 2.467 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.853 1.870 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.019 3.021 3.386 1.00 0.00 H new ATOM 0 HG SER A 100 5.883 0.863 3.487 1.00 0.00 H new