USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 25 MET CE :methyl -149:sc= -0.795 (180deg=-0.949) USER MOD Set 1.2: A 40 CYS SG : rot -37:sc= -1.03 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -115:sc= 0 (180deg=-0.488) USER MOD Single : A 6 TYR OH : rot -21:sc= -1.35 USER MOD Single : A 7 LYS NZ :NH3+ -138:sc= 1.24 (180deg=-0.821) USER MOD Single : A 10 ASN : amide:sc= 0.145 X(o=0.15,f=-0.027) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 22 SER OG : rot 84:sc= 1.41 USER MOD Single : A 24 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 26 GLN : amide:sc= -2.04 K(o=-2,f=-3.1!) USER MOD Single : A 27 THR OG1 : rot 105:sc= 1.2 USER MOD Single : A 30 SER OG : rot -99:sc= 0.263 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.8!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00779 USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= 1.17 (180deg=0.771) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : B 71 HIS : no HD1:sc= -6! K(o=-6!,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -4.403 14.633 0.553 1.00 0.00 N ATOM 2 CA ASP A 1 -3.611 13.473 0.066 1.00 0.00 C ATOM 3 C ASP A 1 -4.223 12.155 0.528 1.00 0.00 C ATOM 4 O ASP A 1 -4.033 11.737 1.669 1.00 0.00 O ATOM 5 CB ASP A 1 -2.181 13.605 0.593 1.00 0.00 C ATOM 6 CG ASP A 1 -1.399 14.689 -0.122 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.787 15.056 -1.251 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.399 15.174 0.449 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.964 15.516 0.224 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.373 14.570 0.184 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.427 14.625 1.593 1.00 0.00 H new ATOM 0 HA ASP A 1 -3.612 13.471 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.209 13.825 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.665 12.652 0.477 1.00 0.00 H new ATOM 15 N VAL A 2 -4.958 11.506 -0.369 1.00 0.00 N ATOM 16 CA VAL A 2 -5.599 10.235 -0.055 1.00 0.00 C ATOM 17 C VAL A 2 -4.566 9.166 0.291 1.00 0.00 C ATOM 18 O VAL A 2 -3.848 8.678 -0.580 1.00 0.00 O ATOM 19 CB VAL A 2 -6.463 9.735 -1.230 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.259 8.504 -0.825 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.388 10.840 -1.720 1.00 0.00 C ATOM 0 H VAL A 2 -5.124 11.839 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.239 10.411 0.809 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.801 9.456 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.862 8.167 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.574 7.710 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.912 8.752 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.990 10.469 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.043 11.153 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.794 11.690 -2.055 1.00 0.00 H new ATOM 31 N MET A 3 -4.500 8.808 1.569 1.00 0.00 N ATOM 32 CA MET A 3 -3.559 7.795 2.033 1.00 0.00 C ATOM 33 C MET A 3 -4.073 6.395 1.716 1.00 0.00 C ATOM 34 O MET A 3 -5.279 6.179 1.605 1.00 0.00 O ATOM 35 CB MET A 3 -3.330 7.940 3.537 1.00 0.00 C ATOM 36 CG MET A 3 -3.026 9.365 3.971 1.00 0.00 C ATOM 37 SD MET A 3 -1.665 9.460 5.150 1.00 0.00 S ATOM 38 CE MET A 3 -1.247 11.199 5.044 1.00 0.00 C ATOM 0 H MET A 3 -5.087 9.205 2.302 1.00 0.00 H new ATOM 0 HA MET A 3 -2.613 7.941 1.512 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.216 7.589 4.067 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.504 7.294 3.834 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.783 9.963 3.093 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.919 9.802 4.418 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.243 11.308 4.633 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.961 11.706 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.282 11.643 6.039 1.00 0.00 H new ATOM 48 N TRP A 4 -3.153 5.445 1.566 1.00 0.00 N ATOM 49 CA TRP A 4 -3.529 4.070 1.256 1.00 0.00 C ATOM 50 C TRP A 4 -2.664 3.066 2.009 1.00 0.00 C ATOM 51 O TRP A 4 -1.459 2.967 1.775 1.00 0.00 O ATOM 52 CB TRP A 4 -3.422 3.813 -0.243 1.00 0.00 C ATOM 53 CG TRP A 4 -4.475 4.511 -1.043 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.488 5.826 -1.409 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.671 3.934 -1.574 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.621 6.101 -2.138 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.363 4.954 -2.253 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.222 2.651 -1.542 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.578 4.730 -2.893 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.429 2.430 -2.178 1.00 0.00 C ATOM 61 CH2 TRP A 4 -8.095 3.465 -2.846 1.00 0.00 C ATOM 0 H TRP A 4 -2.149 5.601 1.654 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.563 3.937 1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.440 4.135 -0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -3.489 2.741 -0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.721 6.545 -1.162 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.869 7.010 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.715 1.847 -1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.094 5.527 -3.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.866 1.442 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -9.036 3.260 -3.334 1.00 0.00 H new ATOM 72 N GLU A 5 -3.298 2.311 2.900 1.00 0.00 N ATOM 73 CA GLU A 5 -2.605 1.295 3.684 1.00 0.00 C ATOM 74 C GLU A 5 -2.110 0.171 2.782 1.00 0.00 C ATOM 75 O GLU A 5 -2.460 0.112 1.605 1.00 0.00 O ATOM 76 CB GLU A 5 -3.542 0.729 4.755 1.00 0.00 C ATOM 77 CG GLU A 5 -2.985 0.824 6.167 1.00 0.00 C ATOM 78 CD GLU A 5 -4.045 1.174 7.191 1.00 0.00 C ATOM 79 OE1 GLU A 5 -5.240 0.940 6.913 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.681 1.682 8.273 1.00 0.00 O ATOM 0 H GLU A 5 -4.296 2.384 3.098 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.746 1.758 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.492 1.262 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.752 -0.316 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.525 -0.127 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.198 1.578 6.193 1.00 0.00 H new ATOM 87 N TYR A 6 -1.302 -0.719 3.344 1.00 0.00 N ATOM 88 CA TYR A 6 -0.770 -1.851 2.591 1.00 0.00 C ATOM 89 C TYR A 6 -0.255 -2.944 3.528 1.00 0.00 C ATOM 90 O TYR A 6 0.444 -2.665 4.504 1.00 0.00 O ATOM 91 CB TYR A 6 0.339 -1.396 1.626 1.00 0.00 C ATOM 92 CG TYR A 6 1.738 -1.423 2.210 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.417 -2.624 2.379 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.380 -0.249 2.584 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.693 -2.654 2.907 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.657 -0.271 3.112 1.00 0.00 C ATOM 97 CZ TYR A 6 4.308 -1.476 3.272 1.00 0.00 C ATOM 98 OH TYR A 6 5.578 -1.502 3.798 1.00 0.00 O ATOM 0 H TYR A 6 -1.000 -0.680 4.318 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.585 -2.270 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.317 -2.033 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.119 -0.382 1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.939 -3.549 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.873 0.696 2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.206 -3.596 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.142 0.651 3.398 1.00 0.00 H new ATOM 0 HH TYR A 6 5.766 -2.395 4.154 1.00 0.00 H new ATOM 108 N LYS A 7 -0.603 -4.188 3.215 1.00 0.00 N ATOM 109 CA LYS A 7 -0.178 -5.333 4.011 1.00 0.00 C ATOM 110 C LYS A 7 0.431 -6.402 3.107 1.00 0.00 C ATOM 111 O LYS A 7 -0.166 -6.791 2.103 1.00 0.00 O ATOM 112 CB LYS A 7 -1.367 -5.908 4.790 1.00 0.00 C ATOM 113 CG LYS A 7 -1.059 -7.202 5.528 1.00 0.00 C ATOM 114 CD LYS A 7 -2.303 -7.781 6.191 1.00 0.00 C ATOM 115 CE LYS A 7 -3.469 -7.883 5.218 1.00 0.00 C ATOM 116 NZ LYS A 7 -4.560 -8.750 5.746 1.00 0.00 N ATOM 0 H LYS A 7 -1.182 -4.429 2.411 1.00 0.00 H new ATOM 0 HA LYS A 7 0.578 -5.005 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.710 -5.165 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.190 -6.084 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.646 -7.930 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.296 -7.017 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.075 -8.770 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.589 -7.155 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.862 -6.886 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.115 -8.283 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.921 -9.357 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.190 -9.344 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.331 -8.155 6.109 1.00 0.00 H new ATOM 130 N TRP A 8 1.625 -6.867 3.461 1.00 0.00 N ATOM 131 CA TRP A 8 2.313 -7.881 2.671 1.00 0.00 C ATOM 132 C TRP A 8 1.522 -9.182 2.637 1.00 0.00 C ATOM 133 O TRP A 8 1.173 -9.682 1.568 1.00 0.00 O ATOM 134 CB TRP A 8 3.710 -8.139 3.239 1.00 0.00 C ATOM 135 CG TRP A 8 4.602 -6.936 3.201 1.00 0.00 C ATOM 136 CD1 TRP A 8 4.981 -6.163 4.260 1.00 0.00 C ATOM 137 CD2 TRP A 8 5.228 -6.369 2.045 1.00 0.00 C ATOM 138 NE1 TRP A 8 5.805 -5.150 3.834 1.00 0.00 N ATOM 139 CE2 TRP A 8 5.973 -5.255 2.479 1.00 0.00 C ATOM 140 CE3 TRP A 8 5.233 -6.692 0.685 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.714 -4.468 1.603 1.00 0.00 C ATOM 142 CZ3 TRP A 8 5.970 -5.910 -0.183 1.00 0.00 C ATOM 143 CH2 TRP A 8 6.702 -4.809 0.279 1.00 0.00 C ATOM 0 H TRP A 8 2.135 -6.558 4.288 1.00 0.00 H new ATOM 0 HA TRP A 8 2.402 -7.506 1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.617 -8.480 4.270 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.179 -8.947 2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.677 -6.324 5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 8 6.224 -4.436 4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.670 -7.538 0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 7.279 -3.618 1.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.982 -6.152 -1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 8 7.268 -4.217 -0.425 1.00 0.00 H new ATOM 154 N GLU A 9 1.246 -9.729 3.815 1.00 0.00 N ATOM 155 CA GLU A 9 0.499 -10.976 3.921 1.00 0.00 C ATOM 156 C GLU A 9 -1.001 -10.725 3.818 1.00 0.00 C ATOM 157 O GLU A 9 -1.438 -9.595 3.596 1.00 0.00 O ATOM 158 CB GLU A 9 0.824 -11.677 5.242 1.00 0.00 C ATOM 159 CG GLU A 9 1.988 -12.649 5.145 1.00 0.00 C ATOM 160 CD GLU A 9 1.546 -14.098 5.211 1.00 0.00 C ATOM 161 OE1 GLU A 9 0.359 -14.371 4.934 1.00 0.00 O ATOM 162 OE2 GLU A 9 2.387 -14.961 5.541 1.00 0.00 O ATOM 0 H GLU A 9 1.528 -9.329 4.710 1.00 0.00 H new ATOM 0 HA GLU A 9 0.796 -11.620 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.052 -10.924 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.060 -12.215 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.522 -12.478 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.691 -12.450 5.954 1.00 0.00 H new ATOM 169 N ASN A 10 -1.786 -11.784 3.981 1.00 0.00 N ATOM 170 CA ASN A 10 -3.238 -11.680 3.909 1.00 0.00 C ATOM 171 C ASN A 10 -3.881 -12.213 5.184 1.00 0.00 C ATOM 172 O ASN A 10 -4.920 -12.873 5.139 1.00 0.00 O ATOM 173 CB ASN A 10 -3.768 -12.445 2.695 1.00 0.00 C ATOM 174 CG ASN A 10 -3.167 -13.833 2.579 1.00 0.00 C ATOM 175 OD1 ASN A 10 -2.349 -14.096 1.698 1.00 0.00 O ATOM 176 ND2 ASN A 10 -3.574 -14.728 3.471 1.00 0.00 N ATOM 0 H ASN A 10 -1.440 -12.726 4.164 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.499 -10.627 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.853 -12.526 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.549 -11.880 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.206 -15.679 3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.254 -14.465 4.184 1.00 0.00 H new ATOM 183 N THR A 11 -3.254 -11.925 6.319 1.00 0.00 N ATOM 184 CA THR A 11 -3.759 -12.377 7.609 1.00 0.00 C ATOM 185 C THR A 11 -4.391 -11.227 8.383 1.00 0.00 C ATOM 186 O THR A 11 -4.288 -10.066 7.986 1.00 0.00 O ATOM 187 CB THR A 11 -2.629 -12.993 8.439 1.00 0.00 C ATOM 188 OG1 THR A 11 -1.932 -11.993 9.162 1.00 0.00 O ATOM 189 CG2 THR A 11 -1.614 -13.746 7.610 1.00 0.00 C ATOM 0 H THR A 11 -2.394 -11.380 6.371 1.00 0.00 H new ATOM 0 HA THR A 11 -4.522 -13.132 7.421 1.00 0.00 H new ATOM 0 HB THR A 11 -3.121 -13.698 9.110 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.216 -12.408 9.687 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.843 -14.155 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.109 -14.559 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.157 -13.067 6.890 1.00 0.00 H new ATOM 197 N GLY A 12 -5.031 -11.556 9.498 1.00 0.00 N ATOM 198 CA GLY A 12 -5.656 -10.541 10.322 1.00 0.00 C ATOM 199 C GLY A 12 -4.693 -9.958 11.341 1.00 0.00 C ATOM 200 O GLY A 12 -5.003 -8.969 12.003 1.00 0.00 O ATOM 0 H GLY A 12 -5.128 -12.510 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.037 -9.742 9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.513 -10.972 10.839 1.00 0.00 H new ATOM 204 N ASP A 13 -3.518 -10.575 11.464 1.00 0.00 N ATOM 205 CA ASP A 13 -2.505 -10.115 12.406 1.00 0.00 C ATOM 206 C ASP A 13 -1.314 -9.498 11.676 1.00 0.00 C ATOM 207 O ASP A 13 -0.544 -8.741 12.266 1.00 0.00 O ATOM 208 CB ASP A 13 -2.033 -11.274 13.285 1.00 0.00 C ATOM 209 CG ASP A 13 -1.417 -10.800 14.585 1.00 0.00 C ATOM 210 OD1 ASP A 13 -0.986 -9.629 14.646 1.00 0.00 O ATOM 211 OD2 ASP A 13 -1.363 -11.600 15.544 1.00 0.00 O ATOM 0 H ASP A 13 -3.247 -11.395 10.921 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.956 -9.348 13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.877 -11.928 13.503 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.303 -11.869 12.736 1.00 0.00 H new ATOM 216 N ALA A 14 -1.166 -9.826 10.389 1.00 0.00 N ATOM 217 CA ALA A 14 -0.064 -9.301 9.582 1.00 0.00 C ATOM 218 C ALA A 14 0.171 -7.817 9.854 1.00 0.00 C ATOM 219 O ALA A 14 -0.715 -7.118 10.346 1.00 0.00 O ATOM 220 CB ALA A 14 -0.345 -9.524 8.102 1.00 0.00 C ATOM 0 H ALA A 14 -1.795 -10.452 9.886 1.00 0.00 H new ATOM 0 HA ALA A 14 0.841 -9.840 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.482 -9.129 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.452 -10.591 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.266 -9.011 7.825 1.00 0.00 H new ATOM 226 N GLU A 15 1.370 -7.344 9.529 1.00 0.00 N ATOM 227 CA GLU A 15 1.716 -5.946 9.738 1.00 0.00 C ATOM 228 C GLU A 15 0.811 -5.044 8.912 1.00 0.00 C ATOM 229 O GLU A 15 0.547 -5.314 7.740 1.00 0.00 O ATOM 230 CB GLU A 15 3.180 -5.686 9.375 1.00 0.00 C ATOM 231 CG GLU A 15 4.120 -6.816 9.764 1.00 0.00 C ATOM 232 CD GLU A 15 4.470 -7.713 8.593 1.00 0.00 C ATOM 233 OE1 GLU A 15 3.543 -8.299 7.995 1.00 0.00 O ATOM 234 OE2 GLU A 15 5.672 -7.830 8.273 1.00 0.00 O ATOM 0 H GLU A 15 2.115 -7.908 9.121 1.00 0.00 H new ATOM 0 HA GLU A 15 1.574 -5.720 10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.254 -5.519 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.508 -4.769 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.035 -6.395 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.658 -7.414 10.549 1.00 0.00 H new ATOM 241 N LEU A 16 0.337 -3.975 9.533 1.00 0.00 N ATOM 242 CA LEU A 16 -0.544 -3.028 8.863 1.00 0.00 C ATOM 243 C LEU A 16 0.164 -1.700 8.616 1.00 0.00 C ATOM 244 O LEU A 16 0.194 -0.830 9.487 1.00 0.00 O ATOM 245 CB LEU A 16 -1.812 -2.806 9.693 1.00 0.00 C ATOM 246 CG LEU A 16 -3.127 -3.046 8.945 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.378 -1.936 7.938 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.107 -4.402 8.254 1.00 0.00 C ATOM 0 H LEU A 16 0.548 -3.740 10.503 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.822 -3.449 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.780 -3.465 10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.807 -1.783 10.069 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.941 -3.042 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.316 -2.123 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.436 -0.980 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.561 -1.908 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.049 -4.556 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.283 -4.435 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.975 -5.188 8.998 1.00 0.00 H new ATOM 260 N TYR A 17 0.727 -1.551 7.422 1.00 0.00 N ATOM 261 CA TYR A 17 1.430 -0.328 7.053 1.00 0.00 C ATOM 262 C TYR A 17 0.695 0.390 5.929 1.00 0.00 C ATOM 263 O TYR A 17 -0.451 0.068 5.619 1.00 0.00 O ATOM 264 CB TYR A 17 2.861 -0.645 6.610 1.00 0.00 C ATOM 265 CG TYR A 17 3.691 -1.351 7.656 1.00 0.00 C ATOM 266 CD1 TYR A 17 4.067 -0.702 8.824 1.00 0.00 C ATOM 267 CD2 TYR A 17 4.107 -2.662 7.468 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.835 -1.341 9.778 1.00 0.00 C ATOM 269 CE2 TYR A 17 4.873 -3.309 8.418 1.00 0.00 C ATOM 270 CZ TYR A 17 5.235 -2.644 9.571 1.00 0.00 C ATOM 271 OH TYR A 17 6.000 -3.284 10.519 1.00 0.00 O ATOM 0 H TYR A 17 0.710 -2.263 6.692 1.00 0.00 H new ATOM 0 HA TYR A 17 1.464 0.321 7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.823 -1.264 5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.358 0.285 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.754 0.318 8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.827 -3.184 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.121 -0.823 10.681 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.187 -4.330 8.259 1.00 0.00 H new ATOM 0 HH TYR A 17 6.195 -4.197 10.220 1.00 0.00 H new ATOM 281 N GLY A 18 1.367 1.352 5.309 1.00 0.00 N ATOM 282 CA GLY A 18 0.775 2.087 4.216 1.00 0.00 C ATOM 283 C GLY A 18 0.082 3.379 4.627 1.00 0.00 C ATOM 284 O GLY A 18 -0.836 3.820 3.938 1.00 0.00 O ATOM 0 H GLY A 18 2.317 1.635 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.553 2.322 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.052 1.445 3.713 1.00 0.00 H new ATOM 288 N PRO A 19 0.495 4.038 5.729 1.00 0.00 N ATOM 289 CA PRO A 19 -0.123 5.293 6.149 1.00 0.00 C ATOM 290 C PRO A 19 0.452 6.489 5.391 1.00 0.00 C ATOM 291 O PRO A 19 0.471 7.609 5.899 1.00 0.00 O ATOM 292 CB PRO A 19 0.243 5.369 7.627 1.00 0.00 C ATOM 293 CG PRO A 19 1.575 4.707 7.707 1.00 0.00 C ATOM 294 CD PRO A 19 1.587 3.639 6.640 1.00 0.00 C ATOM 0 HA PRO A 19 -1.196 5.321 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.290 6.401 7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.494 4.858 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.377 5.427 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.733 4.272 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.546 3.601 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.414 2.649 7.063 1.00 0.00 H new ATOM 302 N PHE A 20 0.928 6.234 4.173 1.00 0.00 N ATOM 303 CA PHE A 20 1.517 7.273 3.337 1.00 0.00 C ATOM 304 C PHE A 20 0.509 7.790 2.318 1.00 0.00 C ATOM 305 O PHE A 20 -0.548 7.193 2.114 1.00 0.00 O ATOM 306 CB PHE A 20 2.755 6.733 2.614 1.00 0.00 C ATOM 307 CG PHE A 20 3.501 5.684 3.394 1.00 0.00 C ATOM 308 CD1 PHE A 20 3.104 4.356 3.350 1.00 0.00 C ATOM 309 CD2 PHE A 20 4.598 6.027 4.168 1.00 0.00 C ATOM 310 CE1 PHE A 20 3.787 3.391 4.063 1.00 0.00 C ATOM 311 CE2 PHE A 20 5.284 5.064 4.884 1.00 0.00 C ATOM 312 CZ PHE A 20 4.878 3.746 4.831 1.00 0.00 C ATOM 0 H PHE A 20 0.916 5.309 3.743 1.00 0.00 H new ATOM 0 HA PHE A 20 1.810 8.100 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.451 6.313 1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.430 7.562 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.251 4.073 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.920 7.057 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.468 2.360 4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.137 5.343 5.485 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.413 2.993 5.390 1.00 0.00 H new ATOM 322 N THR A 21 0.845 8.904 1.680 1.00 0.00 N ATOM 323 CA THR A 21 -0.026 9.505 0.676 1.00 0.00 C ATOM 324 C THR A 21 -0.075 8.650 -0.582 1.00 0.00 C ATOM 325 O THR A 21 0.896 7.972 -0.918 1.00 0.00 O ATOM 326 CB THR A 21 0.461 10.912 0.327 1.00 0.00 C ATOM 327 OG1 THR A 21 1.655 10.854 -0.434 1.00 0.00 O ATOM 328 CG2 THR A 21 0.734 11.769 1.544 1.00 0.00 C ATOM 0 H THR A 21 1.716 9.411 1.840 1.00 0.00 H new ATOM 0 HA THR A 21 -1.031 9.566 1.093 1.00 0.00 H new ATOM 0 HB THR A 21 -0.350 11.366 -0.243 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.950 11.763 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.076 12.754 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.180 11.874 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.503 11.298 2.156 1.00 0.00 H new ATOM 336 N SER A 22 -1.208 8.690 -1.283 1.00 0.00 N ATOM 337 CA SER A 22 -1.370 7.922 -2.517 1.00 0.00 C ATOM 338 C SER A 22 -0.151 8.105 -3.413 1.00 0.00 C ATOM 339 O SER A 22 0.225 7.209 -4.170 1.00 0.00 O ATOM 340 CB SER A 22 -2.636 8.361 -3.256 1.00 0.00 C ATOM 341 OG SER A 22 -3.487 7.257 -3.510 1.00 0.00 O ATOM 0 H SER A 22 -2.023 9.243 -1.019 1.00 0.00 H new ATOM 0 HA SER A 22 -1.464 6.867 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.168 9.105 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.364 8.839 -4.197 1.00 0.00 H new ATOM 0 HG SER A 22 -4.043 7.085 -2.722 1.00 0.00 H new ATOM 347 N ALA A 23 0.464 9.277 -3.307 1.00 0.00 N ATOM 348 CA ALA A 23 1.648 9.601 -4.084 1.00 0.00 C ATOM 349 C ALA A 23 2.801 8.671 -3.725 1.00 0.00 C ATOM 350 O ALA A 23 3.477 8.134 -4.602 1.00 0.00 O ATOM 351 CB ALA A 23 2.039 11.049 -3.841 1.00 0.00 C ATOM 0 H ALA A 23 0.156 10.023 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 23 1.422 9.465 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.927 11.289 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.220 11.702 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.251 11.196 -2.782 1.00 0.00 H new ATOM 357 N GLN A 24 3.017 8.484 -2.426 1.00 0.00 N ATOM 358 CA GLN A 24 4.084 7.617 -1.946 1.00 0.00 C ATOM 359 C GLN A 24 3.751 6.154 -2.205 1.00 0.00 C ATOM 360 O GLN A 24 4.639 5.335 -2.440 1.00 0.00 O ATOM 361 CB GLN A 24 4.326 7.846 -0.452 1.00 0.00 C ATOM 362 CG GLN A 24 5.756 7.567 -0.018 1.00 0.00 C ATOM 363 CD GLN A 24 6.759 8.490 -0.681 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.625 9.712 -0.627 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.771 7.907 -1.311 1.00 0.00 N ATOM 0 H GLN A 24 2.466 8.922 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 24 4.994 7.865 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.075 8.878 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.651 7.209 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.830 7.674 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.008 6.533 -0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.842 6.890 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.478 8.476 -1.776 1.00 0.00 H new ATOM 374 N MET A 25 2.464 5.836 -2.168 1.00 0.00 N ATOM 375 CA MET A 25 2.007 4.474 -2.411 1.00 0.00 C ATOM 376 C MET A 25 2.080 4.148 -3.897 1.00 0.00 C ATOM 377 O MET A 25 2.634 3.124 -4.293 1.00 0.00 O ATOM 378 CB MET A 25 0.575 4.288 -1.903 1.00 0.00 C ATOM 379 CG MET A 25 0.482 4.064 -0.402 1.00 0.00 C ATOM 380 SD MET A 25 1.420 2.625 0.148 1.00 0.00 S ATOM 381 CE MET A 25 0.924 1.408 -1.070 1.00 0.00 C ATOM 0 H MET A 25 1.717 6.503 -1.972 1.00 0.00 H new ATOM 0 HA MET A 25 2.661 3.792 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.012 5.168 -2.167 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.124 3.439 -2.417 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.847 4.950 0.117 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.564 3.939 -0.122 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.933 0.416 -0.618 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.081 1.636 -1.424 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.618 1.430 -1.910 1.00 0.00 H new ATOM 391 N GLN A 26 1.526 5.036 -4.715 1.00 0.00 N ATOM 392 CA GLN A 26 1.536 4.853 -6.161 1.00 0.00 C ATOM 393 C GLN A 26 2.969 4.741 -6.673 1.00 0.00 C ATOM 394 O GLN A 26 3.241 4.023 -7.635 1.00 0.00 O ATOM 395 CB GLN A 26 0.815 6.019 -6.847 1.00 0.00 C ATOM 396 CG GLN A 26 0.939 6.016 -8.363 1.00 0.00 C ATOM 397 CD GLN A 26 0.187 4.868 -9.011 1.00 0.00 C ATOM 398 OE1 GLN A 26 -0.830 5.073 -9.672 1.00 0.00 O ATOM 399 NE2 GLN A 26 0.688 3.653 -8.824 1.00 0.00 N ATOM 0 H GLN A 26 1.064 5.890 -4.401 1.00 0.00 H new ATOM 0 HA GLN A 26 1.010 3.928 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.241 5.988 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.214 6.957 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.561 6.960 -8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.992 5.955 -8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.534 3.530 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.227 2.842 -9.236 1.00 0.00 H new ATOM 408 N THR A 27 3.882 5.451 -6.017 1.00 0.00 N ATOM 409 CA THR A 27 5.287 5.428 -6.400 1.00 0.00 C ATOM 410 C THR A 27 5.897 4.063 -6.107 1.00 0.00 C ATOM 411 O THR A 27 6.514 3.449 -6.974 1.00 0.00 O ATOM 412 CB THR A 27 6.060 6.520 -5.659 1.00 0.00 C ATOM 413 OG1 THR A 27 5.529 7.799 -5.957 1.00 0.00 O ATOM 414 CG2 THR A 27 7.535 6.547 -5.999 1.00 0.00 C ATOM 0 H THR A 27 3.672 6.049 -5.218 1.00 0.00 H new ATOM 0 HA THR A 27 5.354 5.617 -7.471 1.00 0.00 H new ATOM 0 HB THR A 27 5.952 6.282 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.008 8.123 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.023 7.345 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.987 5.590 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.659 6.725 -7.067 1.00 0.00 H new ATOM 422 N TRP A 28 5.716 3.591 -4.877 1.00 0.00 N ATOM 423 CA TRP A 28 6.244 2.296 -4.467 1.00 0.00 C ATOM 424 C TRP A 28 5.606 1.171 -5.276 1.00 0.00 C ATOM 425 O TRP A 28 6.278 0.221 -5.680 1.00 0.00 O ATOM 426 CB TRP A 28 5.987 2.073 -2.977 1.00 0.00 C ATOM 427 CG TRP A 28 6.986 2.754 -2.091 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.336 2.824 -2.277 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.709 3.462 -0.877 1.00 0.00 C ATOM 430 NE1 TRP A 28 8.917 3.534 -1.253 1.00 0.00 N ATOM 431 CE2 TRP A 28 7.939 3.936 -0.381 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.542 3.743 -0.162 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.033 4.673 0.796 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.636 4.475 1.007 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.874 4.933 1.476 1.00 0.00 C ATOM 0 H TRP A 28 5.206 4.088 -4.146 1.00 0.00 H new ATOM 0 HA TRP A 28 7.318 2.290 -4.652 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.988 2.434 -2.730 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.999 1.003 -2.770 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.870 2.386 -3.107 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.914 3.730 -1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.583 3.394 -0.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.986 5.027 1.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.740 4.697 1.568 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.915 5.503 2.393 1.00 0.00 H new ATOM 446 N VAL A 29 4.304 1.289 -5.506 1.00 0.00 N ATOM 447 CA VAL A 29 3.561 0.287 -6.263 1.00 0.00 C ATOM 448 C VAL A 29 3.933 0.324 -7.745 1.00 0.00 C ATOM 449 O VAL A 29 3.892 -0.698 -8.429 1.00 0.00 O ATOM 450 CB VAL A 29 2.040 0.500 -6.113 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.264 -0.480 -6.981 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.623 0.370 -4.657 1.00 0.00 C ATOM 0 H VAL A 29 3.738 2.072 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 29 3.829 -0.688 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 29 1.806 1.509 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.195 -0.309 -6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.536 -0.334 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.505 -1.500 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.547 0.523 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.878 -0.625 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.145 1.119 -4.061 1.00 0.00 H new ATOM 462 N SER A 30 4.285 1.508 -8.236 1.00 0.00 N ATOM 463 CA SER A 30 4.651 1.673 -9.640 1.00 0.00 C ATOM 464 C SER A 30 6.163 1.591 -9.840 1.00 0.00 C ATOM 465 O SER A 30 6.635 1.144 -10.886 1.00 0.00 O ATOM 466 CB SER A 30 4.131 3.013 -10.165 1.00 0.00 C ATOM 467 OG SER A 30 4.998 4.075 -9.804 1.00 0.00 O ATOM 0 H SER A 30 4.325 2.366 -7.685 1.00 0.00 H new ATOM 0 HA SER A 30 4.192 0.858 -10.200 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.036 2.970 -11.250 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.135 3.201 -9.765 1.00 0.00 H new ATOM 0 HG SER A 30 4.639 4.537 -9.018 1.00 0.00 H new ATOM 473 N GLU A 31 6.919 2.026 -8.837 1.00 0.00 N ATOM 474 CA GLU A 31 8.378 2.003 -8.913 1.00 0.00 C ATOM 475 C GLU A 31 8.888 0.594 -9.202 1.00 0.00 C ATOM 476 O GLU A 31 9.755 0.401 -10.054 1.00 0.00 O ATOM 477 CB GLU A 31 8.989 2.517 -7.608 1.00 0.00 C ATOM 478 CG GLU A 31 9.132 4.029 -7.558 1.00 0.00 C ATOM 479 CD GLU A 31 10.372 4.522 -8.279 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.488 4.267 -7.781 1.00 0.00 O ATOM 481 OE2 GLU A 31 10.225 5.162 -9.341 1.00 0.00 O ATOM 0 H GLU A 31 6.548 2.398 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 31 8.681 2.656 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.369 2.191 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.971 2.063 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.250 4.489 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.168 4.353 -6.518 1.00 0.00 H new ATOM 488 N GLY A 32 8.348 -0.382 -8.483 1.00 0.00 N ATOM 489 CA GLY A 32 8.760 -1.759 -8.674 1.00 0.00 C ATOM 490 C GLY A 32 8.471 -2.623 -7.462 1.00 0.00 C ATOM 491 O GLY A 32 8.308 -3.838 -7.582 1.00 0.00 O ATOM 0 H GLY A 32 7.631 -0.244 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.246 -2.172 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.828 -1.789 -8.892 1.00 0.00 H new ATOM 495 N TYR A 33 8.407 -1.996 -6.291 1.00 0.00 N ATOM 496 CA TYR A 33 8.136 -2.714 -5.051 1.00 0.00 C ATOM 497 C TYR A 33 6.843 -3.518 -5.159 1.00 0.00 C ATOM 498 O TYR A 33 6.005 -3.251 -6.020 1.00 0.00 O ATOM 499 CB TYR A 33 8.045 -1.735 -3.879 1.00 0.00 C ATOM 500 CG TYR A 33 9.337 -1.000 -3.601 1.00 0.00 C ATOM 501 CD1 TYR A 33 9.672 0.147 -4.309 1.00 0.00 C ATOM 502 CD2 TYR A 33 10.222 -1.454 -2.631 1.00 0.00 C ATOM 503 CE1 TYR A 33 10.852 0.821 -4.059 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.402 -0.785 -2.374 1.00 0.00 C ATOM 505 CZ TYR A 33 11.713 0.351 -3.089 1.00 0.00 C ATOM 506 OH TYR A 33 12.890 1.020 -2.837 1.00 0.00 O ATOM 0 H TYR A 33 8.539 -0.991 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 33 8.959 -3.406 -4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.260 -1.007 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.747 -2.280 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.999 0.518 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.983 -2.345 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 33 11.099 1.710 -4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.079 -1.151 -1.616 1.00 0.00 H new ATOM 0 HH TYR A 33 13.382 0.560 -2.125 1.00 0.00 H new ATOM 516 N PHE A 34 6.693 -4.504 -4.283 1.00 0.00 N ATOM 517 CA PHE A 34 5.504 -5.350 -4.281 1.00 0.00 C ATOM 518 C PHE A 34 5.397 -6.128 -5.590 1.00 0.00 C ATOM 519 O PHE A 34 4.441 -5.957 -6.349 1.00 0.00 O ATOM 520 CB PHE A 34 4.239 -4.510 -4.067 1.00 0.00 C ATOM 521 CG PHE A 34 4.439 -3.298 -3.197 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.357 -3.311 -2.158 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.705 -2.145 -3.421 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.538 -2.198 -1.361 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.882 -1.028 -2.627 1.00 0.00 C ATOM 526 CZ PHE A 34 4.800 -1.055 -1.596 1.00 0.00 C ATOM 0 H PHE A 34 7.379 -4.738 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 34 5.596 -6.058 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.863 -4.188 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.470 -5.140 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.937 -4.202 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.986 -2.119 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.256 -2.222 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.303 -0.135 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.941 -0.183 -0.974 1.00 0.00 H new ATOM 536 N PRO A 35 6.383 -6.995 -5.875 1.00 0.00 N ATOM 537 CA PRO A 35 6.398 -7.798 -7.101 1.00 0.00 C ATOM 538 C PRO A 35 5.096 -8.562 -7.317 1.00 0.00 C ATOM 539 O PRO A 35 4.759 -8.925 -8.444 1.00 0.00 O ATOM 540 CB PRO A 35 7.556 -8.772 -6.875 1.00 0.00 C ATOM 541 CG PRO A 35 8.457 -8.072 -5.918 1.00 0.00 C ATOM 542 CD PRO A 35 7.562 -7.257 -5.027 1.00 0.00 C ATOM 0 HA PRO A 35 6.511 -7.176 -7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.203 -9.719 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.070 -9.000 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.040 -8.787 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.167 -7.435 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.293 -7.801 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.044 -6.332 -4.711 1.00 0.00 H new ATOM 550 N ASP A 36 4.368 -8.812 -6.232 1.00 0.00 N ATOM 551 CA ASP A 36 3.109 -9.540 -6.310 1.00 0.00 C ATOM 552 C ASP A 36 1.936 -8.684 -5.826 1.00 0.00 C ATOM 553 O ASP A 36 0.783 -9.111 -5.892 1.00 0.00 O ATOM 554 CB ASP A 36 3.199 -10.821 -5.479 1.00 0.00 C ATOM 555 CG ASP A 36 1.892 -11.590 -5.442 1.00 0.00 C ATOM 556 OD1 ASP A 36 1.484 -12.117 -6.498 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.277 -11.664 -4.357 1.00 0.00 O ATOM 0 H ASP A 36 4.630 -8.521 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 36 2.929 -9.794 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.980 -11.461 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.496 -10.568 -4.461 1.00 0.00 H new ATOM 562 N GLY A 37 2.232 -7.484 -5.334 1.00 0.00 N ATOM 563 CA GLY A 37 1.185 -6.612 -4.845 1.00 0.00 C ATOM 564 C GLY A 37 0.988 -6.750 -3.351 1.00 0.00 C ATOM 565 O GLY A 37 1.398 -7.747 -2.756 1.00 0.00 O ATOM 0 H GLY A 37 3.176 -7.103 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.432 -5.578 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.251 -6.843 -5.357 1.00 0.00 H new ATOM 569 N VAL A 38 0.369 -5.751 -2.740 1.00 0.00 N ATOM 570 CA VAL A 38 0.130 -5.773 -1.307 1.00 0.00 C ATOM 571 C VAL A 38 -1.323 -5.459 -0.981 1.00 0.00 C ATOM 572 O VAL A 38 -2.045 -4.888 -1.796 1.00 0.00 O ATOM 573 CB VAL A 38 1.041 -4.776 -0.572 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.467 -5.302 -0.522 1.00 0.00 C ATOM 575 CG2 VAL A 38 0.999 -3.414 -1.244 1.00 0.00 C ATOM 0 H VAL A 38 0.024 -4.917 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 38 0.359 -6.782 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 38 0.676 -4.663 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.101 -4.586 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.485 -6.256 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.839 -5.442 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.650 -2.724 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.339 -3.507 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.022 -3.033 -1.231 1.00 0.00 H new ATOM 585 N TYR A 39 -1.744 -5.839 0.219 1.00 0.00 N ATOM 586 CA TYR A 39 -3.111 -5.601 0.662 1.00 0.00 C ATOM 587 C TYR A 39 -3.341 -4.116 0.909 1.00 0.00 C ATOM 588 O TYR A 39 -3.224 -3.641 2.037 1.00 0.00 O ATOM 589 CB TYR A 39 -3.392 -6.401 1.933 1.00 0.00 C ATOM 590 CG TYR A 39 -4.480 -7.437 1.765 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.542 -8.227 0.624 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.443 -7.624 2.746 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.537 -9.173 0.465 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.440 -8.569 2.596 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.483 -9.341 1.454 1.00 0.00 C ATOM 596 OH TYR A 39 -7.473 -10.282 1.300 1.00 0.00 O ATOM 0 H TYR A 39 -1.156 -6.314 0.904 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.796 -5.928 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.475 -6.897 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.676 -5.714 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.801 -8.100 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.413 -7.021 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.573 -9.777 -0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.182 -8.702 3.369 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.057 -10.274 2.087 1.00 0.00 H new ATOM 606 N CYS A 40 -3.653 -3.387 -0.157 1.00 0.00 N ATOM 607 CA CYS A 40 -3.881 -1.952 -0.060 1.00 0.00 C ATOM 608 C CYS A 40 -5.313 -1.630 0.356 1.00 0.00 C ATOM 609 O CYS A 40 -6.231 -2.420 0.135 1.00 0.00 O ATOM 610 CB CYS A 40 -3.565 -1.278 -1.396 1.00 0.00 C ATOM 611 SG CYS A 40 -1.890 -0.606 -1.505 1.00 0.00 S ATOM 0 H CYS A 40 -3.754 -3.767 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.215 -1.566 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.708 -2.002 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.280 -0.472 -1.562 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.548 -0.105 -0.355 1.00 0.00 H new ATOM 617 N ARG A 41 -5.489 -0.455 0.954 1.00 0.00 N ATOM 618 CA ARG A 41 -6.801 -0.002 1.403 1.00 0.00 C ATOM 619 C ARG A 41 -6.709 1.395 2.013 1.00 0.00 C ATOM 620 O ARG A 41 -5.779 1.692 2.762 1.00 0.00 O ATOM 621 CB ARG A 41 -7.395 -0.988 2.418 1.00 0.00 C ATOM 622 CG ARG A 41 -6.898 -0.793 3.846 1.00 0.00 C ATOM 623 CD ARG A 41 -7.759 -1.552 4.841 1.00 0.00 C ATOM 624 NE ARG A 41 -8.943 -0.790 5.226 1.00 0.00 N ATOM 625 CZ ARG A 41 -8.924 0.227 6.085 1.00 0.00 C ATOM 626 NH1 ARG A 41 -7.787 0.595 6.662 1.00 0.00 N ATOM 627 NH2 ARG A 41 -10.044 0.878 6.369 1.00 0.00 N ATOM 0 H ARG A 41 -4.733 0.204 1.140 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.460 0.042 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.481 -0.892 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.161 -2.004 2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.865 -1.133 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.904 0.269 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.065 -2.503 4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.171 -1.783 5.729 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.838 -1.052 4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.922 0.098 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.778 1.375 7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.921 0.600 5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.028 1.657 7.027 1.00 0.00 H new ATOM 641 N LYS A 42 -7.678 2.244 1.697 1.00 0.00 N ATOM 642 CA LYS A 42 -7.702 3.599 2.225 1.00 0.00 C ATOM 643 C LYS A 42 -7.818 3.579 3.744 1.00 0.00 C ATOM 644 O LYS A 42 -8.728 2.966 4.302 1.00 0.00 O ATOM 645 CB LYS A 42 -8.868 4.375 1.614 1.00 0.00 C ATOM 646 CG LYS A 42 -8.510 5.097 0.325 1.00 0.00 C ATOM 647 CD LYS A 42 -9.637 6.006 -0.135 1.00 0.00 C ATOM 648 CE LYS A 42 -10.623 5.264 -1.022 1.00 0.00 C ATOM 649 NZ LYS A 42 -12.032 5.663 -0.745 1.00 0.00 N ATOM 0 H LYS A 42 -8.456 2.017 1.078 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.768 4.095 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.689 3.686 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.229 5.103 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.605 5.685 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.290 4.367 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.159 6.409 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.223 6.854 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.389 5.461 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.513 4.191 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.672 5.134 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.264 5.451 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.144 6.683 -0.917 1.00 0.00 H new ATOM 663 N LEU A 43 -6.883 4.252 4.406 1.00 0.00 N ATOM 664 CA LEU A 43 -6.861 4.315 5.865 1.00 0.00 C ATOM 665 C LEU A 43 -8.248 4.621 6.428 1.00 0.00 C ATOM 666 O LEU A 43 -8.816 3.822 7.173 1.00 0.00 O ATOM 667 CB LEU A 43 -5.864 5.375 6.337 1.00 0.00 C ATOM 668 CG LEU A 43 -4.531 5.399 5.586 1.00 0.00 C ATOM 669 CD1 LEU A 43 -3.630 6.483 6.145 1.00 0.00 C ATOM 670 CD2 LEU A 43 -3.845 4.044 5.665 1.00 0.00 C ATOM 0 H LEU A 43 -6.126 4.765 3.953 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.549 3.338 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.331 6.356 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.663 5.215 7.396 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.731 5.620 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.686 6.488 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.116 7.452 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.439 6.289 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.899 4.083 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.657 3.792 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.487 3.285 5.218 1.00 0.00 H new ATOM 682 N ASP A 44 -8.785 5.782 6.069 1.00 0.00 N ATOM 683 CA ASP A 44 -10.103 6.193 6.538 1.00 0.00 C ATOM 684 C ASP A 44 -11.156 5.990 5.448 1.00 0.00 C ATOM 685 O ASP A 44 -10.913 6.299 4.281 1.00 0.00 O ATOM 686 CB ASP A 44 -10.076 7.660 6.971 1.00 0.00 C ATOM 687 CG ASP A 44 -11.361 8.088 7.650 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.566 7.714 8.824 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.163 8.800 7.010 1.00 0.00 O ATOM 0 H ASP A 44 -8.327 6.455 5.454 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.368 5.573 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.239 7.820 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.903 8.290 6.099 1.00 0.00 H new ATOM 694 N PRO A 45 -12.345 5.466 5.807 1.00 0.00 N ATOM 695 CA PRO A 45 -12.679 5.083 7.183 1.00 0.00 C ATOM 696 C PRO A 45 -12.086 3.731 7.571 1.00 0.00 C ATOM 697 O PRO A 45 -11.851 2.878 6.714 1.00 0.00 O ATOM 698 CB PRO A 45 -14.203 5.011 7.157 1.00 0.00 C ATOM 699 CG PRO A 45 -14.531 4.604 5.761 1.00 0.00 C ATOM 700 CD PRO A 45 -13.465 5.209 4.881 1.00 0.00 C ATOM 0 HA PRO A 45 -12.279 5.785 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.579 4.288 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.651 5.973 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.544 3.518 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.520 4.961 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.174 4.529 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.811 6.128 4.408 1.00 0.00 H new ATOM 708 N PRO A 46 -11.836 3.515 8.875 1.00 0.00 N ATOM 709 CA PRO A 46 -11.269 2.256 9.371 1.00 0.00 C ATOM 710 C PRO A 46 -12.078 1.043 8.927 1.00 0.00 C ATOM 711 O PRO A 46 -13.265 1.156 8.621 1.00 0.00 O ATOM 712 CB PRO A 46 -11.330 2.409 10.893 1.00 0.00 C ATOM 713 CG PRO A 46 -11.346 3.880 11.128 1.00 0.00 C ATOM 714 CD PRO A 46 -12.086 4.476 9.964 1.00 0.00 C ATOM 0 HA PRO A 46 -10.263 2.086 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -12.221 1.933 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.470 1.941 11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.841 4.120 12.069 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.333 4.276 11.191 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.151 4.578 10.174 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.713 5.470 9.717 1.00 0.00 H new ATOM 722 N GLY A 47 -11.428 -0.117 8.889 1.00 0.00 N ATOM 723 CA GLY A 47 -12.107 -1.332 8.477 1.00 0.00 C ATOM 724 C GLY A 47 -12.660 -1.233 7.070 1.00 0.00 C ATOM 725 O GLY A 47 -13.826 -0.888 6.877 1.00 0.00 O ATOM 0 H GLY A 47 -10.446 -0.237 9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.413 -2.171 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.921 -1.544 9.171 1.00 0.00 H new ATOM 729 N GLY A 48 -11.821 -1.531 6.084 1.00 0.00 N ATOM 730 CA GLY A 48 -12.250 -1.461 4.700 1.00 0.00 C ATOM 731 C GLY A 48 -12.016 -2.753 3.947 1.00 0.00 C ATOM 732 O GLY A 48 -11.195 -3.576 4.349 1.00 0.00 O ATOM 0 H GLY A 48 -10.852 -1.820 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.311 -1.213 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.717 -0.653 4.200 1.00 0.00 H new ATOM 736 N GLN A 49 -12.743 -2.928 2.849 1.00 0.00 N ATOM 737 CA GLN A 49 -12.612 -4.125 2.031 1.00 0.00 C ATOM 738 C GLN A 49 -11.245 -4.169 1.358 1.00 0.00 C ATOM 739 O GLN A 49 -11.120 -3.875 0.169 1.00 0.00 O ATOM 740 CB GLN A 49 -13.715 -4.172 0.974 1.00 0.00 C ATOM 741 CG GLN A 49 -15.112 -3.988 1.543 1.00 0.00 C ATOM 742 CD GLN A 49 -16.148 -4.832 0.827 1.00 0.00 C ATOM 743 OE1 GLN A 49 -15.814 -5.652 -0.028 1.00 0.00 O ATOM 744 NE2 GLN A 49 -17.414 -4.635 1.174 1.00 0.00 N ATOM 0 H GLN A 49 -13.429 -2.255 2.506 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.709 -4.994 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.529 -3.395 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.667 -5.128 0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.106 -4.247 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.393 -2.937 1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.646 -3.944 1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.155 -5.174 0.727 1.00 0.00 H new ATOM 753 N PHE A 50 -10.225 -4.534 2.134 1.00 0.00 N ATOM 754 CA PHE A 50 -8.847 -4.623 1.637 1.00 0.00 C ATOM 755 C PHE A 50 -8.803 -5.029 0.164 1.00 0.00 C ATOM 756 O PHE A 50 -9.625 -5.822 -0.296 1.00 0.00 O ATOM 757 CB PHE A 50 -8.051 -5.627 2.475 1.00 0.00 C ATOM 758 CG PHE A 50 -7.103 -4.987 3.449 1.00 0.00 C ATOM 759 CD1 PHE A 50 -6.149 -4.081 3.017 1.00 0.00 C ATOM 760 CD2 PHE A 50 -7.168 -5.294 4.800 1.00 0.00 C ATOM 761 CE1 PHE A 50 -5.276 -3.493 3.914 1.00 0.00 C ATOM 762 CE2 PHE A 50 -6.298 -4.709 5.700 1.00 0.00 C ATOM 763 CZ PHE A 50 -5.351 -3.807 5.257 1.00 0.00 C ATOM 0 H PHE A 50 -10.326 -4.776 3.120 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.398 -3.634 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.747 -6.261 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.486 -6.277 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.086 -3.831 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.907 -5.998 5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.536 -2.788 3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.359 -4.957 6.749 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.671 -3.348 5.959 1.00 0.00 H new ATOM 773 N TYR A 51 -7.841 -4.478 -0.569 1.00 0.00 N ATOM 774 CA TYR A 51 -7.694 -4.780 -1.985 1.00 0.00 C ATOM 775 C TYR A 51 -6.228 -4.715 -2.403 1.00 0.00 C ATOM 776 O TYR A 51 -5.509 -3.784 -2.040 1.00 0.00 O ATOM 777 CB TYR A 51 -8.521 -3.803 -2.825 1.00 0.00 C ATOM 778 CG TYR A 51 -9.706 -4.444 -3.511 1.00 0.00 C ATOM 779 CD1 TYR A 51 -9.584 -5.678 -4.139 1.00 0.00 C ATOM 780 CD2 TYR A 51 -10.944 -3.816 -3.533 1.00 0.00 C ATOM 781 CE1 TYR A 51 -10.664 -6.267 -4.768 1.00 0.00 C ATOM 782 CE2 TYR A 51 -12.030 -4.400 -4.159 1.00 0.00 C ATOM 783 CZ TYR A 51 -11.884 -5.624 -4.775 1.00 0.00 C ATOM 784 OH TYR A 51 -12.962 -6.209 -5.400 1.00 0.00 O ATOM 0 H TYR A 51 -7.152 -3.820 -0.204 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.058 -5.793 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.876 -2.997 -2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.877 -3.350 -3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.630 -6.184 -4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.061 -2.855 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.553 -7.226 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.987 -3.900 -4.165 1.00 0.00 H new ATOM 0 HH TYR A 51 -13.746 -5.627 -5.313 1.00 0.00 H new ATOM 794 N ASN A 52 -5.794 -5.709 -3.167 1.00 0.00 N ATOM 795 CA ASN A 52 -4.415 -5.768 -3.638 1.00 0.00 C ATOM 796 C ASN A 52 -4.040 -4.490 -4.383 1.00 0.00 C ATOM 797 O ASN A 52 -4.788 -4.015 -5.237 1.00 0.00 O ATOM 798 CB ASN A 52 -4.216 -6.980 -4.549 1.00 0.00 C ATOM 799 CG ASN A 52 -2.783 -7.477 -4.545 1.00 0.00 C ATOM 800 OD1 ASN A 52 -2.141 -7.546 -3.497 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.274 -7.826 -5.721 1.00 0.00 N ATOM 0 H ASN A 52 -6.378 -6.487 -3.475 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.764 -5.865 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.878 -7.785 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.504 -6.717 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.315 -8.167 -5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.842 -7.753 -6.565 1.00 0.00 H new ATOM 808 N SER A 53 -2.877 -3.937 -4.052 1.00 0.00 N ATOM 809 CA SER A 53 -2.403 -2.712 -4.689 1.00 0.00 C ATOM 810 C SER A 53 -2.406 -2.849 -6.207 1.00 0.00 C ATOM 811 O SER A 53 -2.616 -1.873 -6.928 1.00 0.00 O ATOM 812 CB SER A 53 -0.995 -2.369 -4.198 1.00 0.00 C ATOM 813 OG SER A 53 -0.024 -3.195 -4.816 1.00 0.00 O ATOM 0 H SER A 53 -2.246 -4.317 -3.347 1.00 0.00 H new ATOM 0 HA SER A 53 -3.083 -1.905 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.777 -1.323 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.944 -2.490 -3.116 1.00 0.00 H new ATOM 0 HG SER A 53 0.867 -2.955 -4.487 1.00 0.00 H new ATOM 819 N LYS A 54 -2.178 -4.067 -6.685 1.00 0.00 N ATOM 820 CA LYS A 54 -2.159 -4.332 -8.118 1.00 0.00 C ATOM 821 C LYS A 54 -3.577 -4.349 -8.692 1.00 0.00 C ATOM 822 O LYS A 54 -3.759 -4.415 -9.908 1.00 0.00 O ATOM 823 CB LYS A 54 -1.461 -5.665 -8.401 1.00 0.00 C ATOM 824 CG LYS A 54 -0.154 -5.515 -9.164 1.00 0.00 C ATOM 825 CD LYS A 54 0.949 -6.369 -8.560 1.00 0.00 C ATOM 826 CE LYS A 54 2.319 -5.949 -9.066 1.00 0.00 C ATOM 827 NZ LYS A 54 2.935 -4.906 -8.199 1.00 0.00 N ATOM 0 H LYS A 54 -2.004 -4.885 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.604 -3.529 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.265 -6.171 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.134 -6.305 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.306 -5.799 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.152 -4.469 -9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.920 -6.287 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.775 -7.417 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.973 -6.820 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.229 -5.569 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.343 -4.156 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.208 -4.498 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.685 -5.335 -7.620 1.00 0.00 H new ATOM 841 N ARG A 55 -4.576 -4.290 -7.815 1.00 0.00 N ATOM 842 CA ARG A 55 -5.970 -4.298 -8.246 1.00 0.00 C ATOM 843 C ARG A 55 -6.617 -2.925 -8.064 1.00 0.00 C ATOM 844 O ARG A 55 -7.802 -2.747 -8.345 1.00 0.00 O ATOM 845 CB ARG A 55 -6.758 -5.357 -7.471 1.00 0.00 C ATOM 846 CG ARG A 55 -7.599 -6.259 -8.360 1.00 0.00 C ATOM 847 CD ARG A 55 -6.772 -7.395 -8.944 1.00 0.00 C ATOM 848 NE ARG A 55 -7.139 -8.688 -8.374 1.00 0.00 N ATOM 849 CZ ARG A 55 -6.829 -9.858 -8.928 1.00 0.00 C ATOM 850 NH1 ARG A 55 -6.145 -9.900 -10.065 1.00 0.00 N ATOM 851 NH2 ARG A 55 -7.201 -10.988 -8.344 1.00 0.00 N ATOM 0 H ARG A 55 -4.446 -4.236 -6.805 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.990 -4.542 -9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.062 -5.971 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.409 -4.860 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.427 -6.670 -7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.034 -5.671 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.908 -7.424 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.714 -7.205 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.664 -8.695 -7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.855 -9.033 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.910 -10.799 -10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.725 -10.962 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.963 -11.884 -8.769 1.00 0.00 H new ATOM 865 N ILE A 56 -5.834 -1.958 -7.596 1.00 0.00 N ATOM 866 CA ILE A 56 -6.333 -0.608 -7.383 1.00 0.00 C ATOM 867 C ILE A 56 -5.768 0.350 -8.429 1.00 0.00 C ATOM 868 O ILE A 56 -4.680 0.131 -8.961 1.00 0.00 O ATOM 869 CB ILE A 56 -5.972 -0.098 -5.975 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.581 -1.017 -4.914 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.451 1.336 -5.783 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.383 -0.522 -3.498 1.00 0.00 C ATOM 0 H ILE A 56 -4.851 -2.087 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.418 -0.643 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.887 -0.109 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.649 -1.123 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.140 -2.009 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.186 1.677 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.977 1.980 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.533 1.378 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.840 -1.223 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.317 -0.443 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.849 0.457 -3.386 1.00 0.00 H new ATOM 884 N ASP A 57 -6.515 1.409 -8.720 1.00 0.00 N ATOM 885 CA ASP A 57 -6.089 2.396 -9.703 1.00 0.00 C ATOM 886 C ASP A 57 -5.915 3.768 -9.059 1.00 0.00 C ATOM 887 O ASP A 57 -6.825 4.597 -9.087 1.00 0.00 O ATOM 888 CB ASP A 57 -7.105 2.479 -10.842 1.00 0.00 C ATOM 889 CG ASP A 57 -6.510 3.060 -12.110 1.00 0.00 C ATOM 890 OD1 ASP A 57 -5.467 3.740 -12.018 1.00 0.00 O ATOM 891 OD2 ASP A 57 -7.088 2.834 -13.194 1.00 0.00 O ATOM 0 H ASP A 57 -7.418 1.605 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.126 2.081 -10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.494 1.482 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.950 3.092 -10.527 1.00 0.00 H new ATOM 896 N PHE A 58 -4.742 4.001 -8.478 1.00 0.00 N ATOM 897 CA PHE A 58 -4.451 5.274 -7.827 1.00 0.00 C ATOM 898 C PHE A 58 -4.579 6.437 -8.807 1.00 0.00 C ATOM 899 O PHE A 58 -4.776 7.582 -8.402 1.00 0.00 O ATOM 900 CB PHE A 58 -3.044 5.255 -7.225 1.00 0.00 C ATOM 901 CG PHE A 58 -2.772 4.061 -6.355 1.00 0.00 C ATOM 902 CD1 PHE A 58 -3.140 4.063 -5.018 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.147 2.938 -6.872 1.00 0.00 C ATOM 904 CE1 PHE A 58 -2.887 2.968 -4.215 1.00 0.00 C ATOM 905 CE2 PHE A 58 -1.893 1.839 -6.073 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.262 1.855 -4.742 1.00 0.00 C ATOM 0 H PHE A 58 -3.978 3.326 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.181 5.415 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.313 5.278 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.898 6.161 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.630 4.930 -4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.855 2.921 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.178 2.982 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.407 0.969 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.062 0.999 -4.115 1.00 0.00 H new ATOM 916 N ASP A 59 -4.466 6.135 -10.095 1.00 0.00 N ATOM 917 CA ASP A 59 -4.569 7.156 -11.132 1.00 0.00 C ATOM 918 C ASP A 59 -5.945 7.816 -11.119 1.00 0.00 C ATOM 919 O ASP A 59 -6.098 8.960 -11.548 1.00 0.00 O ATOM 920 CB ASP A 59 -4.297 6.544 -12.507 1.00 0.00 C ATOM 921 CG ASP A 59 -2.958 5.833 -12.569 1.00 0.00 C ATOM 922 OD1 ASP A 59 -2.087 6.132 -11.726 1.00 0.00 O ATOM 923 OD2 ASP A 59 -2.781 4.978 -13.462 1.00 0.00 O ATOM 0 H ASP A 59 -4.303 5.192 -10.447 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.820 7.921 -10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.091 5.839 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.324 7.329 -13.263 1.00 0.00 H new ATOM 928 N LEU A 60 -6.944 7.089 -10.629 1.00 0.00 N ATOM 929 CA LEU A 60 -8.302 7.605 -10.563 1.00 0.00 C ATOM 930 C LEU A 60 -8.613 8.160 -9.178 1.00 0.00 C ATOM 931 O LEU A 60 -9.761 8.146 -8.735 1.00 0.00 O ATOM 932 CB LEU A 60 -9.307 6.507 -10.924 1.00 0.00 C ATOM 933 CG LEU A 60 -8.880 5.588 -12.069 1.00 0.00 C ATOM 934 CD1 LEU A 60 -9.983 4.592 -12.393 1.00 0.00 C ATOM 935 CD2 LEU A 60 -8.520 6.406 -13.300 1.00 0.00 C ATOM 0 H LEU A 60 -6.836 6.140 -10.272 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.387 8.418 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.490 5.898 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.254 6.976 -11.189 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.997 5.031 -11.755 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.662 3.946 -13.210 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.195 3.985 -11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.884 5.130 -12.689 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.218 5.737 -14.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.386 6.988 -13.616 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.698 7.080 -13.061 1.00 0.00 H new ATOM 947 N TYR A 61 -7.582 8.650 -8.500 1.00 0.00 N ATOM 948 CA TYR A 61 -7.744 9.212 -7.165 1.00 0.00 C ATOM 949 C TYR A 61 -6.919 10.486 -7.008 1.00 0.00 C ATOM 950 O TYR A 61 -7.410 11.497 -6.506 1.00 0.00 O ATOM 951 CB TYR A 61 -7.330 8.188 -6.107 1.00 0.00 C ATOM 952 CG TYR A 61 -8.246 6.986 -6.035 1.00 0.00 C ATOM 953 CD1 TYR A 61 -9.624 7.129 -6.140 1.00 0.00 C ATOM 954 CD2 TYR A 61 -7.730 5.707 -5.862 1.00 0.00 C ATOM 955 CE1 TYR A 61 -10.462 6.031 -6.075 1.00 0.00 C ATOM 956 CE2 TYR A 61 -8.561 4.605 -5.798 1.00 0.00 C ATOM 957 CZ TYR A 61 -9.925 4.773 -5.904 1.00 0.00 C ATOM 958 OH TYR A 61 -10.756 3.678 -5.839 1.00 0.00 O ATOM 0 H TYR A 61 -6.625 8.669 -8.853 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.796 9.463 -7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.316 7.849 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.306 8.675 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.047 8.113 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.662 5.572 -5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.531 6.158 -6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.144 3.618 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.219 2.867 -5.718 1.00 0.00 H new ATOM 968 N THR A 62 -5.663 10.429 -7.440 1.00 0.00 N ATOM 969 CA THR A 62 -4.771 11.579 -7.348 1.00 0.00 C ATOM 970 C THR A 62 -4.995 12.536 -8.514 1.00 0.00 C ATOM 971 O THR A 62 -4.676 13.735 -8.364 1.00 0.00 O ATOM 972 CB THR A 62 -3.313 11.118 -7.325 1.00 0.00 C ATOM 973 OG1 THR A 62 -2.985 10.435 -8.522 1.00 0.00 O ATOM 974 CG2 THR A 62 -2.995 10.197 -6.168 1.00 0.00 C ATOM 975 OXT THR A 62 -5.489 12.080 -9.566 1.00 0.00 O ATOM 0 H THR A 62 -5.241 9.599 -7.857 1.00 0.00 H new ATOM 0 HA THR A 62 -4.993 12.107 -6.421 1.00 0.00 H new ATOM 0 HB THR A 62 -2.723 12.028 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.048 10.149 -8.489 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.945 9.908 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.191 10.713 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.620 9.306 -6.230 1.00 0.00 H new TER 983 THR A 62 ATOM 984 N SER B 63 17.494 2.895 -5.332 1.00 1.74 N ATOM 985 CA SER B 63 16.303 3.754 -5.561 1.00 0.57 C ATOM 986 C SER B 63 16.415 5.068 -4.796 1.00 0.32 C ATOM 987 O SER B 63 16.939 5.108 -3.683 1.00 0.57 O ATOM 988 CB SER B 63 15.057 2.986 -5.113 1.00 3.21 C ATOM 989 OG SER B 63 13.910 3.820 -5.132 1.00 3.64 O ATOM 0 HA SER B 63 16.235 3.998 -6.621 1.00 0.57 H new ATOM 0 HB2 SER B 63 14.899 2.129 -5.768 1.00 3.21 H new ATOM 0 HB3 SER B 63 15.209 2.594 -4.107 1.00 3.21 H new ATOM 0 HG SER B 63 13.127 3.306 -4.844 1.00 3.64 H new ATOM 997 N HIS B 64 15.919 6.143 -5.401 1.00 0.01 N ATOM 998 CA HIS B 64 15.964 7.460 -4.778 1.00 0.01 C ATOM 999 C HIS B 64 15.160 7.477 -3.481 1.00 0.01 C ATOM 1000 O HIS B 64 15.693 7.780 -2.414 1.00 0.01 O ATOM 1001 CB HIS B 64 15.427 8.522 -5.740 1.00 2.00 C ATOM 1002 CG HIS B 64 16.436 8.986 -6.744 1.00 2.30 C ATOM 1003 ND1 HIS B 64 17.062 10.211 -6.671 1.00 2.04 N ATOM 1004 CD2 HIS B 64 16.927 8.378 -7.850 1.00 3.49 C ATOM 1005 CE1 HIS B 64 17.894 10.340 -7.689 1.00 3.15 C ATOM 1006 NE2 HIS B 64 17.832 9.241 -8.418 1.00 3.94 N ATOM 0 H HIS B 64 15.481 6.127 -6.322 1.00 0.01 H new ATOM 0 HA HIS B 64 17.004 7.687 -4.542 1.00 0.01 H new ATOM 0 HB2 HIS B 64 14.562 8.119 -6.266 1.00 2.00 H new ATOM 0 HB3 HIS B 64 15.079 9.379 -5.164 1.00 2.00 H new ATOM 0 HD2 HIS B 64 16.658 7.398 -8.217 1.00 3.49 H new ATOM 0 HE1 HIS B 64 18.518 11.198 -7.890 1.00 3.15 H new ATOM 0 HE2 HIS B 64 18.369 9.062 -9.266 1.00 3.94 H new ATOM 1015 N ARG B 65 13.876 7.151 -3.582 1.00 0.01 N ATOM 1016 CA ARG B 65 13.000 7.129 -2.417 1.00 0.01 C ATOM 1017 C ARG B 65 13.375 5.986 -1.474 1.00 0.01 C ATOM 1018 O ARG B 65 14.000 5.009 -1.887 1.00 0.01 O ATOM 1019 CB ARG B 65 11.534 7.009 -2.856 1.00 2.83 C ATOM 1020 CG ARG B 65 11.090 5.584 -3.151 1.00 4.16 C ATOM 1021 CD ARG B 65 10.352 5.489 -4.478 1.00 5.14 C ATOM 1022 NE ARG B 65 11.247 5.685 -5.618 1.00 5.48 N ATOM 1023 CZ ARG B 65 11.369 6.830 -6.287 1.00 6.18 C ATOM 1024 NH1 ARG B 65 10.659 7.897 -5.937 1.00 6.89 N ATOM 1025 NH2 ARG B 65 12.207 6.910 -7.311 1.00 6.46 N ATOM 0 H ARG B 65 13.419 6.899 -4.458 1.00 0.01 H new ATOM 0 HA ARG B 65 13.126 8.067 -1.876 1.00 0.01 H new ATOM 0 HB2 ARG B 65 10.897 7.423 -2.074 1.00 2.83 H new ATOM 0 HB3 ARG B 65 11.381 7.618 -3.747 1.00 2.83 H new ATOM 0 HG2 ARG B 65 11.960 4.928 -3.171 1.00 4.16 H new ATOM 0 HG3 ARG B 65 10.443 5.231 -2.348 1.00 4.16 H new ATOM 0 HD2 ARG B 65 9.873 4.513 -4.557 1.00 5.14 H new ATOM 0 HD3 ARG B 65 9.560 6.237 -4.506 1.00 5.14 H new ATOM 0 HE ARG B 65 11.815 4.893 -5.920 1.00 5.48 H new ATOM 0 HH11 ARG B 65 10.013 7.844 -5.149 1.00 6.89 H new ATOM 0 HH12 ARG B 65 10.760 8.769 -6.456 1.00 6.89 H new ATOM 0 HH21 ARG B 65 12.757 6.096 -7.585 1.00 6.46 H new ATOM 0 HH22 ARG B 65 12.302 7.786 -7.825 1.00 6.46 H new ATOM 1039 N PRO B 66 12.999 6.098 -0.190 1.00 0.01 N ATOM 1040 CA PRO B 66 13.298 5.074 0.816 1.00 0.01 C ATOM 1041 C PRO B 66 12.471 3.806 0.626 1.00 0.01 C ATOM 1042 O PRO B 66 11.591 3.749 -0.233 1.00 0.00 O ATOM 1043 CB PRO B 66 12.935 5.756 2.134 1.00 0.01 C ATOM 1044 CG PRO B 66 11.904 6.767 1.767 1.00 0.00 C ATOM 1045 CD PRO B 66 12.255 7.234 0.381 1.00 0.01 C ATOM 0 HA PRO B 66 14.335 4.743 0.761 1.00 0.01 H new ATOM 0 HB2 PRO B 66 12.546 5.039 2.857 1.00 0.01 H new ATOM 0 HB3 PRO B 66 13.806 6.227 2.589 1.00 0.01 H new ATOM 0 HG2 PRO B 66 10.905 6.332 1.791 1.00 0.00 H new ATOM 0 HG3 PRO B 66 11.906 7.599 2.471 1.00 0.00 H new ATOM 0 HD2 PRO B 66 11.363 7.463 -0.203 1.00 0.01 H new ATOM 0 HD3 PRO B 66 12.862 8.139 0.405 1.00 0.01 H new ATOM 1053 N PRO B 67 12.749 2.769 1.433 1.00 0.01 N ATOM 1054 CA PRO B 67 12.041 1.497 1.363 1.00 0.01 C ATOM 1055 C PRO B 67 10.786 1.480 2.231 1.00 0.01 C ATOM 1056 O PRO B 67 10.712 2.178 3.243 1.00 0.00 O ATOM 1057 CB PRO B 67 13.079 0.517 1.900 1.00 0.47 C ATOM 1058 CG PRO B 67 13.866 1.304 2.898 1.00 0.66 C ATOM 1059 CD PRO B 67 13.785 2.755 2.481 1.00 0.42 C ATOM 0 HA PRO B 67 11.684 1.270 0.358 1.00 0.01 H new ATOM 0 HB2 PRO B 67 12.604 -0.348 2.364 1.00 0.47 H new ATOM 0 HB3 PRO B 67 13.718 0.140 1.101 1.00 0.47 H new ATOM 0 HG2 PRO B 67 13.462 1.168 3.901 1.00 0.66 H new ATOM 0 HG3 PRO B 67 14.902 0.967 2.923 1.00 0.66 H new ATOM 0 HD2 PRO B 67 13.513 3.396 3.319 1.00 0.42 H new ATOM 0 HD3 PRO B 67 14.741 3.115 2.101 1.00 0.42 H new ATOM 1067 N PRO B 68 9.777 0.679 1.847 1.00 0.01 N ATOM 1068 CA PRO B 68 8.523 0.576 2.595 1.00 0.00 C ATOM 1069 C PRO B 68 8.669 -0.262 3.864 1.00 0.01 C ATOM 1070 O PRO B 68 9.540 -1.128 3.948 1.00 0.00 O ATOM 1071 CB PRO B 68 7.583 -0.110 1.605 1.00 0.01 C ATOM 1072 CG PRO B 68 8.480 -0.942 0.754 1.00 0.01 C ATOM 1073 CD PRO B 68 9.780 -0.188 0.651 1.00 0.00 C ATOM 0 HA PRO B 68 8.170 1.548 2.939 1.00 0.00 H new ATOM 0 HB2 PRO B 68 6.843 -0.723 2.120 1.00 0.01 H new ATOM 0 HB3 PRO B 68 7.034 0.619 1.009 1.00 0.01 H new ATOM 0 HG2 PRO B 68 8.635 -1.926 1.197 1.00 0.01 H new ATOM 0 HG3 PRO B 68 8.043 -1.102 -0.232 1.00 0.01 H new ATOM 0 HD2 PRO B 68 10.636 -0.863 0.648 1.00 0.00 H new ATOM 0 HD3 PRO B 68 9.832 0.397 -0.267 1.00 0.00 H new ATOM 1081 N PRO B 69 7.812 -0.015 4.871 1.00 0.01 N ATOM 1082 CA PRO B 69 7.849 -0.752 6.139 1.00 0.01 C ATOM 1083 C PRO B 69 7.641 -2.247 5.946 1.00 0.01 C ATOM 1084 O PRO B 69 7.496 -2.729 4.823 1.00 0.01 O ATOM 1085 CB PRO B 69 6.688 -0.162 6.949 1.00 0.01 C ATOM 1086 CG PRO B 69 5.832 0.552 5.958 1.00 0.00 C ATOM 1087 CD PRO B 69 6.745 0.998 4.852 1.00 0.01 C ATOM 0 HA PRO B 69 8.818 -0.651 6.627 1.00 0.01 H new ATOM 0 HB2 PRO B 69 6.128 -0.945 7.459 1.00 0.01 H new ATOM 0 HB3 PRO B 69 7.052 0.521 7.717 1.00 0.01 H new ATOM 0 HG2 PRO B 69 5.051 -0.105 5.575 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.334 1.405 6.418 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.231 1.024 3.891 1.00 0.01 H new ATOM 0 HD3 PRO B 69 7.137 1.999 5.032 1.00 0.01 H new ATOM 1095 N GLY B 70 7.622 -2.974 7.056 1.00 0.44 N ATOM 1096 CA GLY B 70 7.425 -4.408 7.004 1.00 0.65 C ATOM 1097 C GLY B 70 8.679 -5.154 6.596 1.00 0.50 C ATOM 1098 O GLY B 70 9.318 -5.801 7.424 1.00 0.56 O ATOM 0 H GLY B 70 7.740 -2.593 7.995 1.00 0.44 H new ATOM 0 HA2 GLY B 70 7.098 -4.762 7.982 1.00 0.65 H new ATOM 0 HA3 GLY B 70 6.626 -4.636 6.299 1.00 0.65 H new ATOM 1102 N HIS B 71 9.028 -5.063 5.315 1.00 0.43 N ATOM 1103 CA HIS B 71 10.215 -5.730 4.779 1.00 0.26 C ATOM 1104 C HIS B 71 10.325 -7.167 5.273 1.00 1.40 C ATOM 1105 O HIS B 71 9.382 -7.716 5.844 1.00 2.07 O ATOM 1106 CB HIS B 71 11.481 -4.938 5.141 1.00 1.36 C ATOM 1107 CG HIS B 71 11.948 -5.079 6.561 1.00 2.14 C ATOM 1108 ND1 HIS B 71 12.539 -4.039 7.228 1.00 3.29 N ATOM 1109 CD2 HIS B 71 11.936 -6.122 7.432 1.00 2.59 C ATOM 1110 CE1 HIS B 71 12.872 -4.423 8.447 1.00 4.17 C ATOM 1111 NE2 HIS B 71 12.517 -5.683 8.596 1.00 3.81 N ATOM 0 H HIS B 71 8.502 -4.530 4.623 1.00 0.43 H new ATOM 0 HA HIS B 71 10.116 -5.763 3.694 1.00 0.26 H new ATOM 0 HB2 HIS B 71 12.287 -5.253 4.479 1.00 1.36 H new ATOM 0 HB3 HIS B 71 11.298 -3.882 4.940 1.00 1.36 H new ATOM 0 HD2 HIS B 71 11.543 -7.110 7.244 1.00 2.59 H new ATOM 0 HE1 HIS B 71 13.353 -3.809 9.194 1.00 4.17 H new ATOM 0 HE2 HIS B 71 12.652 -6.241 9.439 1.00 3.81 H new ATOM 1120 N ARG B 72 11.492 -7.766 5.060 1.00 2.21 N ATOM 1121 CA ARG B 72 11.742 -9.135 5.493 1.00 3.46 C ATOM 1122 C ARG B 72 13.120 -9.604 5.039 1.00 4.52 C ATOM 1123 O ARG B 72 13.518 -9.380 3.895 1.00 5.58 O ATOM 1124 CB ARG B 72 10.664 -10.078 4.951 1.00 3.97 C ATOM 1125 CG ARG B 72 10.399 -9.911 3.463 1.00 4.43 C ATOM 1126 CD ARG B 72 8.914 -9.982 3.147 1.00 5.21 C ATOM 1127 NE ARG B 72 8.633 -10.881 2.029 1.00 5.65 N ATOM 1128 CZ ARG B 72 8.822 -10.559 0.752 1.00 6.19 C ATOM 1129 NH1 ARG B 72 9.297 -9.363 0.426 1.00 6.95 N ATOM 1130 NH2 ARG B 72 8.537 -11.434 -0.202 1.00 6.14 N ATOM 0 H ARG B 72 12.281 -7.323 4.589 1.00 2.21 H new ATOM 0 HA ARG B 72 11.710 -9.153 6.582 1.00 3.46 H new ATOM 0 HB2 ARG B 72 10.964 -11.108 5.144 1.00 3.97 H new ATOM 0 HB3 ARG B 72 9.736 -9.908 5.498 1.00 3.97 H new ATOM 0 HG2 ARG B 72 10.798 -8.954 3.127 1.00 4.43 H new ATOM 0 HG3 ARG B 72 10.927 -10.688 2.910 1.00 4.43 H new ATOM 0 HD2 ARG B 72 8.372 -10.321 4.030 1.00 5.21 H new ATOM 0 HD3 ARG B 72 8.546 -8.984 2.911 1.00 5.21 H new ATOM 0 HE ARG B 72 8.270 -11.811 2.241 1.00 5.65 H new ATOM 0 HH11 ARG B 72 9.519 -8.686 1.156 1.00 6.95 H new ATOM 0 HH12 ARG B 72 9.440 -9.121 -0.554 1.00 6.95 H new ATOM 0 HH21 ARG B 72 8.173 -12.355 0.043 1.00 6.14 H new ATOM 0 HH22 ARG B 72 8.682 -11.187 -1.181 1.00 6.14 H new ATOM 1144 N VAL B 73 13.846 -10.255 5.943 1.00 4.34 N ATOM 1145 CA VAL B 73 15.180 -10.754 5.635 1.00 5.27 C ATOM 1146 C VAL B 73 15.309 -12.232 5.984 1.00 4.88 C ATOM 1147 O VAL B 73 14.327 -12.804 6.505 1.00 4.84 O ATOM 1148 CB VAL B 73 16.263 -9.963 6.394 1.00 4.97 C ATOM 1149 CG1 VAL B 73 16.458 -8.589 5.772 1.00 5.74 C ATOM 1150 CG2 VAL B 73 15.901 -9.843 7.867 1.00 4.69 C ATOM 1151 OXT VAL B 73 16.389 -12.807 5.733 1.00 4.84 O ATOM 0 H VAL B 73 13.532 -10.449 6.894 1.00 4.34 H new ATOM 0 HA VAL B 73 15.327 -10.623 4.563 1.00 5.27 H new ATOM 0 HB VAL B 73 17.205 -10.507 6.317 1.00 4.97 H new ATOM 0 HG11 VAL B 73 17.227 -8.046 6.322 1.00 5.74 H new ATOM 0 HG12 VAL B 73 16.766 -8.701 4.732 1.00 5.74 H new ATOM 0 HG13 VAL B 73 15.521 -8.034 5.815 1.00 5.74 H new ATOM 0 HG21 VAL B 73 16.677 -9.282 8.388 1.00 4.69 H new ATOM 0 HG22 VAL B 73 14.948 -9.323 7.966 1.00 4.69 H new ATOM 0 HG23 VAL B 73 15.818 -10.838 8.304 1.00 4.69 H new TER 1161 VAL B 73