USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 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 NoAdj-H: A1129 2MR HXT : A1129 2MR OXT : A1129 2MR C :(short bond) USER MOD Set 1.1: A 117 THR OG1 : rot 180:sc= -0.334 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.95 X(o=-2.3,f=-2.1!) USER MOD Set 2.1: A 80 MET CE :methyl 151:sc= -0.216 (180deg=-1.04) USER MOD Set 2.2: A 89 CYS SG : rot 29:sc= 0.0537 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.2) USER MOD Single : A 79 CYS SG : rot -17:sc= -2.24! USER MOD Single : A 84 SER OG : rot 119:sc= 1.23 USER MOD Single : A 88 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.18) USER MOD Single : A 90 TYR OH : rot -2:sc= 0.0155 USER MOD Single : A 101 ASN : amide:sc= 1.19 K(o=1.2,f=-0.14) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 111 TYR OH : rot -129:sc= 0.315 USER MOD Single : A 113 ASN : amide:sc= -2.47! X(o=-2.5!,f=-2.6) USER MOD Single : A 123 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00315) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 18.336 -5.161 1.730 1.00 0.00 N ATOM 2 CA ALA A 65 17.655 -5.411 0.468 1.00 0.00 C ATOM 3 C ALA A 65 18.645 -5.250 -0.659 1.00 0.00 C ATOM 4 O ALA A 65 19.232 -4.173 -0.821 1.00 0.00 O ATOM 5 CB ALA A 65 16.492 -4.446 0.285 1.00 0.00 C ATOM 0 HA ALA A 65 17.255 -6.425 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.996 -4.649 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.781 -4.575 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.865 -3.422 0.287 1.00 0.00 H new ATOM 13 N SER A 66 18.856 -6.315 -1.417 1.00 0.00 N ATOM 14 CA SER A 66 19.769 -6.298 -2.542 1.00 0.00 C ATOM 15 C SER A 66 19.231 -5.366 -3.614 1.00 0.00 C ATOM 16 O SER A 66 19.930 -4.475 -4.104 1.00 0.00 O ATOM 17 CB SER A 66 19.890 -7.709 -3.099 1.00 0.00 C ATOM 18 OG SER A 66 20.201 -8.617 -2.054 1.00 0.00 O ATOM 0 H SER A 66 18.398 -7.214 -1.267 1.00 0.00 H new ATOM 0 HA SER A 66 20.749 -5.945 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.956 -8.001 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.666 -7.742 -3.864 1.00 0.00 H new ATOM 0 HG SER A 66 20.276 -9.523 -2.419 1.00 0.00 H new ATOM 24 N THR A 67 17.986 -5.550 -3.931 1.00 0.00 N ATOM 25 CA THR A 67 17.330 -4.757 -4.901 1.00 0.00 C ATOM 26 C THR A 67 16.402 -3.813 -4.165 1.00 0.00 C ATOM 27 O THR A 67 15.598 -4.258 -3.324 1.00 0.00 O ATOM 28 CB THR A 67 16.505 -5.658 -5.832 1.00 0.00 C ATOM 29 OG1 THR A 67 17.307 -6.793 -6.220 1.00 0.00 O ATOM 30 CG2 THR A 67 16.086 -4.904 -7.079 1.00 0.00 C ATOM 0 H THR A 67 17.396 -6.269 -3.511 1.00 0.00 H new ATOM 0 HA THR A 67 18.054 -4.204 -5.498 1.00 0.00 H new ATOM 0 HB THR A 67 15.611 -5.984 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.786 -7.374 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.503 -5.562 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.481 -4.043 -6.797 1.00 0.00 H new ATOM 0 HG23 THR A 67 16.973 -4.565 -7.614 1.00 0.00 H new ATOM 38 N GLN A 68 16.542 -2.535 -4.417 1.00 0.00 N ATOM 39 CA GLN A 68 15.684 -1.559 -3.797 1.00 0.00 C ATOM 40 C GLN A 68 14.251 -1.701 -4.329 1.00 0.00 C ATOM 41 O GLN A 68 14.047 -2.154 -5.472 1.00 0.00 O ATOM 42 CB GLN A 68 16.213 -0.139 -4.026 1.00 0.00 C ATOM 43 CG GLN A 68 16.326 0.263 -5.480 1.00 0.00 C ATOM 44 CD GLN A 68 16.826 1.676 -5.664 1.00 0.00 C ATOM 45 OE1 GLN A 68 17.578 2.210 -4.837 1.00 0.00 O ATOM 46 NE2 GLN A 68 16.427 2.287 -6.737 1.00 0.00 N ATOM 0 H GLN A 68 17.243 -2.147 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 68 15.675 -1.740 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.555 0.566 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.195 -0.052 -3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.001 -0.425 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.350 0.164 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.807 1.812 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.733 3.242 -6.924 1.00 0.00 H new ATOM 55 N PRO A 69 13.251 -1.383 -3.497 1.00 0.00 N ATOM 56 CA PRO A 69 11.841 -1.419 -3.879 1.00 0.00 C ATOM 57 C PRO A 69 11.541 -0.547 -5.095 1.00 0.00 C ATOM 58 O PRO A 69 12.262 0.415 -5.387 1.00 0.00 O ATOM 59 CB PRO A 69 11.102 -0.890 -2.645 1.00 0.00 C ATOM 60 CG PRO A 69 12.155 -0.245 -1.816 1.00 0.00 C ATOM 61 CD PRO A 69 13.408 -0.997 -2.095 1.00 0.00 C ATOM 0 HA PRO A 69 11.535 -2.425 -4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.327 -0.176 -2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.611 -1.698 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 69 12.265 0.808 -2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.900 -0.289 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.293 -0.379 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.511 -1.866 -1.446 1.00 0.00 H new ATOM 69 N THR A 70 10.456 -0.860 -5.760 1.00 0.00 N ATOM 70 CA THR A 70 10.078 -0.231 -6.993 1.00 0.00 C ATOM 71 C THR A 70 9.575 1.227 -6.793 1.00 0.00 C ATOM 72 O THR A 70 9.522 2.004 -7.746 1.00 0.00 O ATOM 73 CB THR A 70 8.964 -1.099 -7.621 1.00 0.00 C ATOM 74 OG1 THR A 70 9.396 -2.471 -7.645 1.00 0.00 O ATOM 75 CG2 THR A 70 8.627 -0.667 -9.029 1.00 0.00 C ATOM 0 H THR A 70 9.799 -1.576 -5.449 1.00 0.00 H new ATOM 0 HA THR A 70 10.950 -0.161 -7.643 1.00 0.00 H new ATOM 0 HB THR A 70 8.068 -0.980 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.694 -3.028 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.839 -1.307 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.284 0.368 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.514 -0.750 -9.657 1.00 0.00 H new ATOM 83 N HIS A 71 9.256 1.611 -5.569 1.00 0.00 N ATOM 84 CA HIS A 71 8.728 2.951 -5.326 1.00 0.00 C ATOM 85 C HIS A 71 9.361 3.582 -4.091 1.00 0.00 C ATOM 86 O HIS A 71 9.928 2.873 -3.240 1.00 0.00 O ATOM 87 CB HIS A 71 7.199 2.935 -5.176 1.00 0.00 C ATOM 88 CG HIS A 71 6.420 2.512 -6.391 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.554 1.447 -6.415 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.371 3.053 -7.621 1.00 0.00 C ATOM 91 CE1 HIS A 71 5.022 1.368 -7.633 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.486 2.325 -8.411 1.00 0.00 N ATOM 0 H HIS A 71 9.350 1.028 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 71 8.985 3.555 -6.197 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.942 2.267 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.872 3.934 -4.889 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.353 0.823 -5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.931 3.918 -7.945 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.307 0.620 -7.942 1.00 0.00 H new ATOM 100 N SER A 72 9.240 4.891 -3.988 1.00 0.00 N ATOM 101 CA SER A 72 9.786 5.668 -2.897 1.00 0.00 C ATOM 102 C SER A 72 8.636 6.253 -2.066 1.00 0.00 C ATOM 103 O SER A 72 7.931 7.157 -2.510 1.00 0.00 O ATOM 104 CB SER A 72 10.652 6.792 -3.472 1.00 0.00 C ATOM 105 OG SER A 72 11.693 6.267 -4.308 1.00 0.00 O ATOM 0 H SER A 72 8.747 5.456 -4.679 1.00 0.00 H new ATOM 0 HA SER A 72 10.399 5.036 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.029 7.476 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.091 7.369 -2.658 1.00 0.00 H new ATOM 0 HG SER A 72 12.230 7.005 -4.664 1.00 0.00 H new ATOM 111 N TRP A 73 8.436 5.731 -0.882 1.00 0.00 N ATOM 112 CA TRP A 73 7.319 6.127 -0.046 1.00 0.00 C ATOM 113 C TRP A 73 7.756 6.634 1.311 1.00 0.00 C ATOM 114 O TRP A 73 8.847 6.295 1.785 1.00 0.00 O ATOM 115 CB TRP A 73 6.341 4.974 0.115 1.00 0.00 C ATOM 116 CG TRP A 73 5.656 4.619 -1.157 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.941 3.583 -1.982 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.581 5.329 -1.764 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.101 3.600 -3.061 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.262 4.660 -2.951 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.854 6.466 -1.414 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.257 5.083 -3.792 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.853 6.884 -2.254 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.567 6.191 -3.428 1.00 0.00 C ATOM 0 H TRP A 73 9.039 5.021 -0.467 1.00 0.00 H new ATOM 0 HA TRP A 73 6.824 6.955 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.874 4.101 0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.594 5.239 0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.717 2.851 -1.813 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.105 2.924 -3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.073 7.005 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.028 4.553 -4.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.279 7.763 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.772 6.547 -4.067 1.00 0.00 H new ATOM 135 N LYS A 74 6.954 7.501 1.901 1.00 0.00 N ATOM 136 CA LYS A 74 7.197 7.962 3.254 1.00 0.00 C ATOM 137 C LYS A 74 5.957 7.730 4.115 1.00 0.00 C ATOM 138 O LYS A 74 4.854 7.555 3.592 1.00 0.00 O ATOM 139 CB LYS A 74 7.596 9.436 3.324 1.00 0.00 C ATOM 140 CG LYS A 74 6.534 10.407 2.815 1.00 0.00 C ATOM 141 CD LYS A 74 6.783 11.818 3.317 1.00 0.00 C ATOM 142 CE LYS A 74 6.564 11.901 4.825 1.00 0.00 C ATOM 143 NZ LYS A 74 6.801 13.248 5.367 1.00 0.00 N ATOM 0 H LYS A 74 6.125 7.901 1.461 1.00 0.00 H new ATOM 0 HA LYS A 74 8.039 7.383 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.832 9.686 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.508 9.580 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.529 10.403 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.549 10.073 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.802 12.121 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.115 12.513 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.543 11.597 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.227 11.193 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.637 13.243 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.783 13.532 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.151 13.923 4.916 1.00 0.00 H new ATOM 157 N VAL A 75 6.157 7.690 5.414 1.00 0.00 N ATOM 158 CA VAL A 75 5.080 7.517 6.375 1.00 0.00 C ATOM 159 C VAL A 75 4.115 8.710 6.325 1.00 0.00 C ATOM 160 O VAL A 75 4.545 9.862 6.202 1.00 0.00 O ATOM 161 CB VAL A 75 5.640 7.336 7.818 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.523 7.224 8.840 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.526 6.107 7.888 1.00 0.00 C ATOM 0 H VAL A 75 7.079 7.777 5.841 1.00 0.00 H new ATOM 0 HA VAL A 75 4.533 6.613 6.106 1.00 0.00 H new ATOM 0 HB VAL A 75 6.229 8.222 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.951 7.099 9.835 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.917 8.130 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.898 6.363 8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.910 5.993 8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.946 5.224 7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.359 6.219 7.195 1.00 0.00 H new ATOM 173 N GLY A 76 2.832 8.425 6.389 1.00 0.00 N ATOM 174 CA GLY A 76 1.832 9.455 6.390 1.00 0.00 C ATOM 175 C GLY A 76 1.479 9.929 5.010 1.00 0.00 C ATOM 176 O GLY A 76 0.779 10.930 4.854 1.00 0.00 O ATOM 0 H GLY A 76 2.461 7.476 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.933 9.081 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.189 10.300 6.979 1.00 0.00 H new ATOM 180 N ASP A 77 1.953 9.224 4.010 1.00 0.00 N ATOM 181 CA ASP A 77 1.676 9.584 2.629 1.00 0.00 C ATOM 182 C ASP A 77 0.436 8.882 2.210 1.00 0.00 C ATOM 183 O ASP A 77 0.013 7.905 2.855 1.00 0.00 O ATOM 184 CB ASP A 77 2.775 9.093 1.728 1.00 0.00 C ATOM 185 CG ASP A 77 3.030 9.993 0.508 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.095 10.262 -0.284 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.174 10.451 0.330 1.00 0.00 O ATOM 0 H ASP A 77 2.535 8.394 4.122 1.00 0.00 H new ATOM 0 HA ASP A 77 1.586 10.668 2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.696 9.012 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.526 8.090 1.381 1.00 0.00 H new ATOM 192 N LYS A 78 -0.126 9.311 1.139 1.00 0.00 N ATOM 193 CA LYS A 78 -1.274 8.670 0.638 1.00 0.00 C ATOM 194 C LYS A 78 -0.855 7.844 -0.532 1.00 0.00 C ATOM 195 O LYS A 78 -0.169 8.316 -1.441 1.00 0.00 O ATOM 196 CB LYS A 78 -2.338 9.664 0.203 1.00 0.00 C ATOM 197 CG LYS A 78 -2.778 10.634 1.268 1.00 0.00 C ATOM 198 CD LYS A 78 -3.496 9.972 2.423 1.00 0.00 C ATOM 199 CE LYS A 78 -4.042 11.043 3.352 1.00 0.00 C ATOM 200 NZ LYS A 78 -4.767 10.495 4.506 1.00 0.00 N ATOM 0 H LYS A 78 0.197 10.110 0.593 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.711 8.057 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.959 10.230 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.210 9.110 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.905 11.165 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.435 11.380 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.308 9.347 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.813 9.318 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.217 11.660 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.709 11.697 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.214 11.271 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.499 9.835 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.102 9.991 5.127 1.00 0.00 H new ATOM 214 N CYS A 79 -1.256 6.659 -0.517 1.00 0.00 N ATOM 215 CA CYS A 79 -0.960 5.749 -1.566 1.00 0.00 C ATOM 216 C CYS A 79 -2.182 4.946 -1.874 1.00 0.00 C ATOM 217 O CYS A 79 -3.217 5.111 -1.227 1.00 0.00 O ATOM 218 CB CYS A 79 0.171 4.830 -1.140 1.00 0.00 C ATOM 219 SG CYS A 79 -0.169 3.892 0.375 1.00 0.00 S ATOM 0 H CYS A 79 -1.817 6.261 0.236 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.652 6.298 -2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.380 4.130 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.072 5.425 -0.992 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.163 4.439 1.010 1.00 0.00 H new ATOM 225 N MET A 80 -2.100 4.126 -2.860 1.00 0.00 N ATOM 226 CA MET A 80 -3.160 3.236 -3.155 1.00 0.00 C ATOM 227 C MET A 80 -2.615 1.862 -3.030 1.00 0.00 C ATOM 228 O MET A 80 -1.566 1.561 -3.590 1.00 0.00 O ATOM 229 CB MET A 80 -3.736 3.458 -4.553 1.00 0.00 C ATOM 230 CG MET A 80 -4.039 4.908 -4.863 1.00 0.00 C ATOM 231 SD MET A 80 -5.179 5.131 -6.235 1.00 0.00 S ATOM 232 CE MET A 80 -6.655 4.392 -5.528 1.00 0.00 C ATOM 0 H MET A 80 -1.296 4.055 -3.484 1.00 0.00 H new ATOM 0 HA MET A 80 -3.984 3.405 -2.462 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.030 3.078 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.651 2.875 -4.656 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.457 5.381 -3.974 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.106 5.424 -5.090 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.539 4.862 -5.958 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.669 3.325 -5.748 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.654 4.540 -4.448 1.00 0.00 H new ATOM 242 N ALA A 81 -3.290 1.052 -2.302 1.00 0.00 N ATOM 243 CA ALA A 81 -2.859 -0.281 -2.050 1.00 0.00 C ATOM 244 C ALA A 81 -3.876 -1.222 -2.594 1.00 0.00 C ATOM 245 O ALA A 81 -5.057 -0.879 -2.675 1.00 0.00 O ATOM 246 CB ALA A 81 -2.705 -0.497 -0.561 1.00 0.00 C ATOM 0 H ALA A 81 -4.173 1.296 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.897 -0.457 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.375 -1.519 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.966 0.201 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.663 -0.329 -0.068 1.00 0.00 H new ATOM 252 N VAL A 82 -3.440 -2.368 -2.998 1.00 0.00 N ATOM 253 CA VAL A 82 -4.337 -3.367 -3.486 1.00 0.00 C ATOM 254 C VAL A 82 -4.812 -4.180 -2.312 1.00 0.00 C ATOM 255 O VAL A 82 -4.020 -4.841 -1.659 1.00 0.00 O ATOM 256 CB VAL A 82 -3.665 -4.284 -4.544 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.626 -5.364 -5.025 1.00 0.00 C ATOM 258 CG2 VAL A 82 -3.178 -3.456 -5.721 1.00 0.00 C ATOM 0 H VAL A 82 -2.457 -2.640 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.177 -2.881 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.812 -4.774 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.128 -5.991 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.936 -5.978 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.502 -4.897 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.709 -4.110 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.023 -2.942 -6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.452 -2.721 -5.373 1.00 0.00 H new ATOM 268 N TRP A 83 -6.084 -4.082 -2.026 1.00 0.00 N ATOM 269 CA TRP A 83 -6.689 -4.789 -0.935 1.00 0.00 C ATOM 270 C TRP A 83 -6.669 -6.210 -1.251 1.00 0.00 C ATOM 271 O TRP A 83 -7.324 -6.673 -2.189 1.00 0.00 O ATOM 272 CB TRP A 83 -8.113 -4.300 -0.692 1.00 0.00 C ATOM 273 CG TRP A 83 -8.713 -4.732 0.619 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.060 -4.893 1.793 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.088 -4.999 0.894 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.928 -5.255 2.781 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.183 -5.324 2.258 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.243 -5.002 0.126 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.390 -5.645 2.861 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.438 -5.323 0.729 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.497 -5.639 2.084 1.00 0.00 C ATOM 0 H TRP A 83 -6.735 -3.500 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.130 -4.607 -0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.121 -3.211 -0.738 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.748 -4.658 -1.502 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.998 -4.754 1.929 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.678 -5.443 3.752 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.205 -4.757 -0.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.444 -5.890 3.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.344 -5.330 0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.451 -5.886 2.526 1.00 0.00 H new ATOM 292 N SER A 84 -5.946 -6.890 -0.456 1.00 0.00 N ATOM 293 CA SER A 84 -5.692 -8.270 -0.595 1.00 0.00 C ATOM 294 C SER A 84 -6.966 -9.132 -0.506 1.00 0.00 C ATOM 295 O SER A 84 -6.971 -10.299 -0.905 1.00 0.00 O ATOM 296 CB SER A 84 -4.673 -8.637 0.437 1.00 0.00 C ATOM 297 OG SER A 84 -3.453 -7.941 0.200 1.00 0.00 O ATOM 0 H SER A 84 -5.488 -6.478 0.357 1.00 0.00 H new ATOM 0 HA SER A 84 -5.307 -8.475 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.050 -8.396 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.496 -9.712 0.416 1.00 0.00 H new ATOM 0 HG SER A 84 -3.245 -7.373 0.971 1.00 0.00 H new ATOM 303 N GLU A 85 -8.028 -8.550 0.010 1.00 0.00 N ATOM 304 CA GLU A 85 -9.286 -9.242 0.142 1.00 0.00 C ATOM 305 C GLU A 85 -10.101 -9.184 -1.135 1.00 0.00 C ATOM 306 O GLU A 85 -10.715 -10.172 -1.538 1.00 0.00 O ATOM 307 CB GLU A 85 -10.087 -8.633 1.259 1.00 0.00 C ATOM 308 CG GLU A 85 -9.373 -8.633 2.580 1.00 0.00 C ATOM 309 CD GLU A 85 -9.006 -10.023 3.016 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.897 -10.776 3.447 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.826 -10.409 2.919 1.00 0.00 O ATOM 0 H GLU A 85 -8.041 -7.588 0.348 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.062 -10.287 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.343 -7.607 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.025 -9.179 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.471 -8.025 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.007 -8.171 3.336 1.00 0.00 H new ATOM 318 N ASP A 86 -10.086 -8.042 -1.781 1.00 0.00 N ATOM 319 CA ASP A 86 -10.976 -7.821 -2.927 1.00 0.00 C ATOM 320 C ASP A 86 -10.212 -7.800 -4.244 1.00 0.00 C ATOM 321 O ASP A 86 -10.786 -7.985 -5.316 1.00 0.00 O ATOM 322 CB ASP A 86 -11.708 -6.501 -2.724 1.00 0.00 C ATOM 323 CG ASP A 86 -12.876 -6.290 -3.640 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.976 -6.802 -3.331 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.743 -5.579 -4.641 1.00 0.00 O ATOM 0 H ASP A 86 -9.482 -7.254 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.686 -8.647 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.057 -6.449 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.001 -5.683 -2.863 1.00 0.00 H new ATOM 330 N GLY A 87 -8.918 -7.589 -4.159 1.00 0.00 N ATOM 331 CA GLY A 87 -8.082 -7.568 -5.341 1.00 0.00 C ATOM 332 C GLY A 87 -8.070 -6.224 -6.050 1.00 0.00 C ATOM 333 O GLY A 87 -7.548 -6.112 -7.158 1.00 0.00 O ATOM 0 H GLY A 87 -8.420 -7.429 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.062 -7.831 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.429 -8.333 -6.035 1.00 0.00 H new ATOM 337 N GLN A 88 -8.631 -5.208 -5.433 1.00 0.00 N ATOM 338 CA GLN A 88 -8.682 -3.883 -6.044 1.00 0.00 C ATOM 339 C GLN A 88 -7.853 -2.882 -5.281 1.00 0.00 C ATOM 340 O GLN A 88 -7.459 -3.142 -4.152 1.00 0.00 O ATOM 341 CB GLN A 88 -10.111 -3.410 -6.193 1.00 0.00 C ATOM 342 CG GLN A 88 -10.906 -4.202 -7.201 1.00 0.00 C ATOM 343 CD GLN A 88 -10.417 -4.031 -8.624 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.879 -3.149 -9.345 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.489 -4.857 -9.043 1.00 0.00 N ATOM 0 H GLN A 88 -9.060 -5.266 -4.509 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.248 -3.967 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.607 -3.468 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.109 -2.361 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.865 -5.258 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.952 -3.900 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.128 -5.578 -8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.128 -4.779 -9.994 1.00 0.00 H new ATOM 354 N CYS A 89 -7.617 -1.743 -5.879 1.00 0.00 N ATOM 355 CA CYS A 89 -6.782 -0.723 -5.274 1.00 0.00 C ATOM 356 C CYS A 89 -7.626 0.325 -4.588 1.00 0.00 C ATOM 357 O CYS A 89 -8.630 0.794 -5.137 1.00 0.00 O ATOM 358 CB CYS A 89 -5.860 -0.082 -6.314 1.00 0.00 C ATOM 359 SG CYS A 89 -6.719 0.702 -7.698 1.00 0.00 S ATOM 0 H CYS A 89 -7.993 -1.492 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.158 -1.203 -4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.239 0.664 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.189 -0.846 -6.706 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.884 1.122 -7.304 1.00 0.00 H new ATOM 365 N TYR A 90 -7.230 0.672 -3.391 1.00 0.00 N ATOM 366 CA TYR A 90 -7.936 1.627 -2.583 1.00 0.00 C ATOM 367 C TYR A 90 -6.939 2.571 -1.953 1.00 0.00 C ATOM 368 O TYR A 90 -5.759 2.229 -1.808 1.00 0.00 O ATOM 369 CB TYR A 90 -8.745 0.914 -1.495 1.00 0.00 C ATOM 370 CG TYR A 90 -9.810 -0.034 -2.019 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.478 -1.318 -2.432 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.137 0.349 -2.095 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.426 -2.184 -2.905 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.098 -0.521 -2.569 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.732 -1.786 -2.971 1.00 0.00 C ATOM 376 OH TYR A 90 -12.683 -2.655 -3.450 1.00 0.00 O ATOM 0 H TYR A 90 -6.395 0.292 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.628 2.188 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.060 0.354 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.223 1.664 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.449 -1.640 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.425 1.341 -1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.144 -3.176 -3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.131 -0.211 -2.624 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.253 -3.491 -3.726 1.00 0.00 H new ATOM 386 N GLU A 91 -7.405 3.730 -1.590 1.00 0.00 N ATOM 387 CA GLU A 91 -6.581 4.775 -1.028 1.00 0.00 C ATOM 388 C GLU A 91 -6.239 4.436 0.422 1.00 0.00 C ATOM 389 O GLU A 91 -7.120 4.108 1.226 1.00 0.00 O ATOM 390 CB GLU A 91 -7.327 6.097 -1.128 1.00 0.00 C ATOM 391 CG GLU A 91 -6.526 7.322 -0.751 1.00 0.00 C ATOM 392 CD GLU A 91 -7.340 8.573 -0.915 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.541 9.022 -2.061 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.830 9.124 0.101 1.00 0.00 O ATOM 0 H GLU A 91 -8.388 3.987 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.645 4.860 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.684 6.217 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.207 6.048 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.190 7.236 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.633 7.382 -1.373 1.00 0.00 H new ATOM 401 N ALA A 92 -4.980 4.500 0.742 1.00 0.00 N ATOM 402 CA ALA A 92 -4.494 4.128 2.034 1.00 0.00 C ATOM 403 C ALA A 92 -3.365 5.032 2.443 1.00 0.00 C ATOM 404 O ALA A 92 -2.649 5.567 1.592 1.00 0.00 O ATOM 405 CB ALA A 92 -4.012 2.695 1.989 1.00 0.00 C ATOM 0 H ALA A 92 -4.252 4.817 0.101 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.299 4.223 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.640 2.405 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.838 2.042 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.210 2.604 1.256 1.00 0.00 H new ATOM 411 N GLU A 93 -3.191 5.198 3.712 1.00 0.00 N ATOM 412 CA GLU A 93 -2.127 6.004 4.221 1.00 0.00 C ATOM 413 C GLU A 93 -1.096 5.085 4.834 1.00 0.00 C ATOM 414 O GLU A 93 -1.449 4.111 5.513 1.00 0.00 O ATOM 415 CB GLU A 93 -2.643 7.005 5.248 1.00 0.00 C ATOM 416 CG GLU A 93 -1.594 7.996 5.740 1.00 0.00 C ATOM 417 CD GLU A 93 -2.158 8.942 6.766 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.986 9.804 6.407 1.00 0.00 O ATOM 419 OE2 GLU A 93 -1.818 8.819 7.959 1.00 0.00 O ATOM 0 H GLU A 93 -3.783 4.778 4.429 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.678 6.581 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.474 7.560 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.039 6.458 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.753 7.452 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.206 8.565 4.895 1.00 0.00 H new ATOM 426 N ILE A 94 0.138 5.344 4.546 1.00 0.00 N ATOM 427 CA ILE A 94 1.236 4.539 5.047 1.00 0.00 C ATOM 428 C ILE A 94 1.509 4.832 6.507 1.00 0.00 C ATOM 429 O ILE A 94 1.767 5.963 6.881 1.00 0.00 O ATOM 430 CB ILE A 94 2.509 4.781 4.235 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.220 4.497 2.773 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.634 3.882 4.746 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.296 4.942 1.834 1.00 0.00 C ATOM 0 H ILE A 94 0.428 6.122 3.954 1.00 0.00 H new ATOM 0 HA ILE A 94 0.941 3.495 4.946 1.00 0.00 H new ATOM 0 HB ILE A 94 2.827 5.818 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.065 3.425 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.287 4.989 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.537 4.061 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.830 4.105 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.339 2.837 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.008 4.701 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.438 6.019 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.227 4.431 2.079 1.00 0.00 H new ATOM 445 N GLU A 95 1.482 3.801 7.293 1.00 0.00 N ATOM 446 CA GLU A 95 1.700 3.889 8.718 1.00 0.00 C ATOM 447 C GLU A 95 3.171 3.707 9.054 1.00 0.00 C ATOM 448 O GLU A 95 3.701 4.372 9.944 1.00 0.00 O ATOM 449 CB GLU A 95 0.888 2.818 9.414 1.00 0.00 C ATOM 450 CG GLU A 95 -0.600 2.982 9.261 1.00 0.00 C ATOM 451 CD GLU A 95 -1.130 4.164 10.027 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.126 5.282 9.505 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.574 3.991 11.189 1.00 0.00 O ATOM 0 H GLU A 95 1.305 2.852 6.963 1.00 0.00 H new ATOM 0 HA GLU A 95 1.388 4.877 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.178 1.844 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.136 2.820 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.843 3.099 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.100 2.076 9.605 1.00 0.00 H new ATOM 460 N GLU A 96 3.824 2.808 8.352 1.00 0.00 N ATOM 461 CA GLU A 96 5.223 2.523 8.577 1.00 0.00 C ATOM 462 C GLU A 96 5.771 1.796 7.370 1.00 0.00 C ATOM 463 O GLU A 96 5.025 1.132 6.666 1.00 0.00 O ATOM 464 CB GLU A 96 5.421 1.679 9.850 1.00 0.00 C ATOM 465 CG GLU A 96 6.875 1.417 10.170 1.00 0.00 C ATOM 466 CD GLU A 96 7.087 0.613 11.412 1.00 0.00 C ATOM 467 OE1 GLU A 96 7.078 1.184 12.519 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.302 -0.605 11.300 1.00 0.00 O ATOM 0 H GLU A 96 3.399 2.254 7.608 1.00 0.00 H new ATOM 0 HA GLU A 96 5.760 3.460 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.956 2.190 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.904 0.727 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.334 0.896 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.391 2.371 10.274 1.00 0.00 H new ATOM 475 N ILE A 97 7.046 1.949 7.122 1.00 0.00 N ATOM 476 CA ILE A 97 7.705 1.345 5.995 1.00 0.00 C ATOM 477 C ILE A 97 8.832 0.440 6.476 1.00 0.00 C ATOM 478 O ILE A 97 9.506 0.734 7.477 1.00 0.00 O ATOM 479 CB ILE A 97 8.282 2.463 5.099 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.155 3.366 4.657 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.016 1.899 3.878 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.605 4.692 4.213 1.00 0.00 C ATOM 0 H ILE A 97 7.666 2.507 7.709 1.00 0.00 H new ATOM 0 HA ILE A 97 6.991 0.746 5.429 1.00 0.00 H new ATOM 0 HB ILE A 97 9.012 3.026 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.612 2.884 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.452 3.487 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.405 2.720 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.841 1.268 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.324 1.307 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.743 5.286 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.122 5.193 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.284 4.582 3.368 1.00 0.00 H new ATOM 494 N ASP A 98 8.995 -0.652 5.804 1.00 0.00 N ATOM 495 CA ASP A 98 10.066 -1.578 6.031 1.00 0.00 C ATOM 496 C ASP A 98 10.854 -1.644 4.756 1.00 0.00 C ATOM 497 O ASP A 98 10.503 -2.362 3.831 1.00 0.00 O ATOM 498 CB ASP A 98 9.539 -2.966 6.384 1.00 0.00 C ATOM 499 CG ASP A 98 10.649 -3.939 6.701 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.285 -4.454 5.778 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.910 -4.190 7.905 1.00 0.00 O ATOM 0 H ASP A 98 8.366 -0.938 5.054 1.00 0.00 H new ATOM 0 HA ASP A 98 10.678 -1.246 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.870 -2.891 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.949 -3.350 5.552 1.00 0.00 H new ATOM 506 N GLU A 99 11.867 -0.831 4.675 1.00 0.00 N ATOM 507 CA GLU A 99 12.702 -0.735 3.487 1.00 0.00 C ATOM 508 C GLU A 99 13.481 -2.011 3.210 1.00 0.00 C ATOM 509 O GLU A 99 13.956 -2.214 2.095 1.00 0.00 O ATOM 510 CB GLU A 99 13.644 0.439 3.598 1.00 0.00 C ATOM 511 CG GLU A 99 12.944 1.774 3.678 1.00 0.00 C ATOM 512 CD GLU A 99 13.913 2.904 3.773 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.333 3.429 2.724 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.273 3.297 4.905 1.00 0.00 O ATOM 0 H GLU A 99 12.149 -0.206 5.431 1.00 0.00 H new ATOM 0 HA GLU A 99 12.030 -0.583 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.266 0.312 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.312 0.440 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.315 1.908 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.285 1.787 4.546 1.00 0.00 H new ATOM 521 N GLU A 100 13.596 -2.858 4.215 1.00 0.00 N ATOM 522 CA GLU A 100 14.356 -4.088 4.118 1.00 0.00 C ATOM 523 C GLU A 100 13.657 -5.063 3.166 1.00 0.00 C ATOM 524 O GLU A 100 14.287 -5.699 2.317 1.00 0.00 O ATOM 525 CB GLU A 100 14.459 -4.704 5.511 1.00 0.00 C ATOM 526 CG GLU A 100 15.387 -5.899 5.596 1.00 0.00 C ATOM 527 CD GLU A 100 16.790 -5.546 5.202 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.560 -5.059 6.066 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.151 -5.716 4.030 1.00 0.00 O ATOM 0 H GLU A 100 13.162 -2.711 5.126 1.00 0.00 H new ATOM 0 HA GLU A 100 15.352 -3.879 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.803 -3.941 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.464 -5.007 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.383 -6.290 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.017 -6.693 4.948 1.00 0.00 H new ATOM 536 N ASN A 101 12.359 -5.154 3.297 1.00 0.00 N ATOM 537 CA ASN A 101 11.561 -6.005 2.423 1.00 0.00 C ATOM 538 C ASN A 101 10.957 -5.187 1.334 1.00 0.00 C ATOM 539 O ASN A 101 10.464 -5.719 0.334 1.00 0.00 O ATOM 540 CB ASN A 101 10.435 -6.680 3.196 1.00 0.00 C ATOM 541 CG ASN A 101 10.918 -7.624 4.257 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.095 -8.818 4.009 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.156 -7.111 5.420 1.00 0.00 N ATOM 0 H ASN A 101 11.821 -4.650 4.002 1.00 0.00 H new ATOM 0 HA ASN A 101 12.221 -6.767 2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.813 -5.914 3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.801 -7.226 2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.505 -7.701 6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.995 -6.117 5.581 1.00 0.00 H new ATOM 550 N GLY A 102 11.003 -3.891 1.519 1.00 0.00 N ATOM 551 CA GLY A 102 10.378 -2.999 0.606 1.00 0.00 C ATOM 552 C GLY A 102 8.890 -3.039 0.810 1.00 0.00 C ATOM 553 O GLY A 102 8.121 -2.975 -0.138 1.00 0.00 O ATOM 0 H GLY A 102 11.473 -3.439 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.750 -1.986 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.623 -3.278 -0.419 1.00 0.00 H new ATOM 557 N THR A 103 8.486 -3.188 2.045 1.00 0.00 N ATOM 558 CA THR A 103 7.101 -3.268 2.388 1.00 0.00 C ATOM 559 C THR A 103 6.668 -2.079 3.215 1.00 0.00 C ATOM 560 O THR A 103 7.500 -1.312 3.700 1.00 0.00 O ATOM 561 CB THR A 103 6.807 -4.585 3.128 1.00 0.00 C ATOM 562 OG1 THR A 103 7.793 -4.784 4.157 1.00 0.00 O ATOM 563 CG2 THR A 103 6.829 -5.765 2.168 1.00 0.00 C ATOM 0 H THR A 103 9.118 -3.257 2.842 1.00 0.00 H new ATOM 0 HA THR A 103 6.524 -3.252 1.463 1.00 0.00 H new ATOM 0 HB THR A 103 5.813 -4.520 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.607 -5.621 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.618 -6.684 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.072 -5.621 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.812 -5.837 1.703 1.00 0.00 H new ATOM 571 N ALA A 104 5.385 -1.886 3.317 1.00 0.00 N ATOM 572 CA ALA A 104 4.837 -0.848 4.125 1.00 0.00 C ATOM 573 C ALA A 104 3.552 -1.310 4.749 1.00 0.00 C ATOM 574 O ALA A 104 2.801 -2.094 4.156 1.00 0.00 O ATOM 575 CB ALA A 104 4.589 0.399 3.305 1.00 0.00 C ATOM 0 H ALA A 104 4.687 -2.453 2.835 1.00 0.00 H new ATOM 0 HA ALA A 104 5.555 -0.608 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.171 1.177 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.530 0.747 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.888 0.173 2.502 1.00 0.00 H new ATOM 581 N ALA A 105 3.325 -0.872 5.943 1.00 0.00 N ATOM 582 CA ALA A 105 2.098 -1.126 6.615 1.00 0.00 C ATOM 583 C ALA A 105 1.209 0.044 6.322 1.00 0.00 C ATOM 584 O ALA A 105 1.597 1.195 6.555 1.00 0.00 O ATOM 585 CB ALA A 105 2.336 -1.264 8.092 1.00 0.00 C ATOM 0 H ALA A 105 3.994 -0.323 6.483 1.00 0.00 H new ATOM 0 HA ALA A 105 1.639 -2.056 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.389 -1.458 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.021 -2.092 8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.770 -0.342 8.478 1.00 0.00 H new ATOM 591 N ILE A 106 0.064 -0.214 5.790 1.00 0.00 N ATOM 592 CA ILE A 106 -0.808 0.843 5.346 1.00 0.00 C ATOM 593 C ILE A 106 -2.172 0.714 5.975 1.00 0.00 C ATOM 594 O ILE A 106 -2.565 -0.370 6.379 1.00 0.00 O ATOM 595 CB ILE A 106 -0.941 0.825 3.791 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.502 -0.518 3.293 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.381 1.132 3.115 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.961 -0.469 2.969 1.00 0.00 C ATOM 0 H ILE A 106 -0.302 -1.155 5.647 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.369 1.792 5.655 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.647 1.610 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.950 -0.827 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.332 -1.279 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.250 1.111 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.724 2.121 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.120 0.386 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.290 -1.449 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.523 -0.191 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.135 0.269 2.186 1.00 0.00 H new ATOM 610 N THR A 107 -2.866 1.807 6.083 1.00 0.00 N ATOM 611 CA THR A 107 -4.202 1.818 6.583 1.00 0.00 C ATOM 612 C THR A 107 -5.134 2.446 5.560 1.00 0.00 C ATOM 613 O THR A 107 -4.917 3.572 5.118 1.00 0.00 O ATOM 614 CB THR A 107 -4.269 2.538 7.940 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.431 1.823 8.853 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.688 2.577 8.491 1.00 0.00 C ATOM 0 H THR A 107 -2.512 2.727 5.822 1.00 0.00 H new ATOM 0 HA THR A 107 -4.530 0.792 6.749 1.00 0.00 H new ATOM 0 HB THR A 107 -3.938 3.569 7.812 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.453 2.262 9.729 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.692 3.094 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.336 3.106 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.054 1.559 8.626 1.00 0.00 H new ATOM 624 N PHE A 108 -6.138 1.691 5.174 1.00 0.00 N ATOM 625 CA PHE A 108 -7.105 2.097 4.182 1.00 0.00 C ATOM 626 C PHE A 108 -7.939 3.255 4.664 1.00 0.00 C ATOM 627 O PHE A 108 -8.594 3.161 5.707 1.00 0.00 O ATOM 628 CB PHE A 108 -7.979 0.920 3.763 1.00 0.00 C ATOM 629 CG PHE A 108 -7.232 -0.096 2.954 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.926 0.185 1.634 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.813 -1.314 3.502 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.225 -0.717 0.860 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.104 -2.215 2.729 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.809 -1.916 1.407 1.00 0.00 C ATOM 0 H PHE A 108 -6.308 0.758 5.550 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.557 2.438 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.387 0.441 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.825 1.289 3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.240 1.124 1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.044 -1.550 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.002 -0.486 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.779 -3.153 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.254 -2.620 0.805 1.00 0.00 H new ATOM 644 N ALA A 109 -7.926 4.320 3.892 1.00 0.00 N ATOM 645 CA ALA A 109 -8.601 5.544 4.240 1.00 0.00 C ATOM 646 C ALA A 109 -10.097 5.342 4.254 1.00 0.00 C ATOM 647 O ALA A 109 -10.671 4.760 3.318 1.00 0.00 O ATOM 648 CB ALA A 109 -8.221 6.652 3.271 1.00 0.00 C ATOM 0 H ALA A 109 -7.440 4.357 2.996 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.287 5.837 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.739 7.570 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.144 6.817 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.507 6.364 2.259 1.00 0.00 H new ATOM 654 N GLY A 110 -10.713 5.756 5.325 1.00 0.00 N ATOM 655 CA GLY A 110 -12.137 5.643 5.453 1.00 0.00 C ATOM 656 C GLY A 110 -12.533 4.348 6.109 1.00 0.00 C ATOM 657 O GLY A 110 -13.149 4.349 7.179 1.00 0.00 O ATOM 0 H GLY A 110 -10.246 6.178 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.518 6.480 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.598 5.708 4.467 1.00 0.00 H new ATOM 661 N TYR A 111 -12.160 3.242 5.490 1.00 0.00 N ATOM 662 CA TYR A 111 -12.491 1.930 5.990 1.00 0.00 C ATOM 663 C TYR A 111 -11.761 1.663 7.308 1.00 0.00 C ATOM 664 O TYR A 111 -12.351 1.199 8.275 1.00 0.00 O ATOM 665 CB TYR A 111 -12.096 0.878 4.987 1.00 0.00 C ATOM 666 CG TYR A 111 -12.612 1.075 3.572 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.908 0.713 3.213 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.770 1.562 2.582 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.350 0.839 1.904 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.194 1.700 1.281 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.492 1.334 0.941 1.00 0.00 C ATOM 672 OH TYR A 111 -13.937 1.461 -0.364 1.00 0.00 O ATOM 0 H TYR A 111 -11.618 3.234 4.626 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.567 1.889 6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.008 0.830 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.446 -0.089 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.580 0.328 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.758 1.839 2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.357 0.552 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.524 2.090 0.529 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.299 1.030 -0.971 1.00 0.00 H new ATOM 682 N GLY A 112 -10.475 1.952 7.333 1.00 0.00 N ATOM 683 CA GLY A 112 -9.713 1.818 8.552 1.00 0.00 C ATOM 684 C GLY A 112 -9.001 0.486 8.724 1.00 0.00 C ATOM 685 O GLY A 112 -8.595 0.157 9.834 1.00 0.00 O ATOM 0 H GLY A 112 -9.941 2.279 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.971 2.616 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.383 1.966 9.399 1.00 0.00 H new ATOM 689 N ASN A 113 -8.825 -0.288 7.658 1.00 0.00 N ATOM 690 CA ASN A 113 -8.088 -1.559 7.814 1.00 0.00 C ATOM 691 C ASN A 113 -6.644 -1.340 7.565 1.00 0.00 C ATOM 692 O ASN A 113 -6.268 -0.343 6.968 1.00 0.00 O ATOM 693 CB ASN A 113 -8.543 -2.702 6.907 1.00 0.00 C ATOM 694 CG ASN A 113 -9.911 -3.250 7.192 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.457 -3.103 8.288 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.429 -3.967 6.249 1.00 0.00 N ATOM 0 H ASN A 113 -9.160 -0.082 6.717 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.298 -1.866 8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.518 -2.354 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.821 -3.515 6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.322 -4.437 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.945 -4.063 5.357 1.00 0.00 H new ATOM 703 N ALA A 114 -5.839 -2.281 7.949 1.00 0.00 N ATOM 704 CA ALA A 114 -4.424 -2.156 7.811 1.00 0.00 C ATOM 705 C ALA A 114 -3.840 -3.455 7.335 1.00 0.00 C ATOM 706 O ALA A 114 -4.267 -4.529 7.779 1.00 0.00 O ATOM 707 CB ALA A 114 -3.800 -1.736 9.131 1.00 0.00 C ATOM 0 H ALA A 114 -6.146 -3.159 8.368 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.205 -1.385 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.721 -1.645 9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.213 -0.776 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.018 -2.486 9.891 1.00 0.00 H new ATOM 713 N GLU A 115 -2.908 -3.373 6.420 1.00 0.00 N ATOM 714 CA GLU A 115 -2.254 -4.542 5.908 1.00 0.00 C ATOM 715 C GLU A 115 -0.815 -4.206 5.540 1.00 0.00 C ATOM 716 O GLU A 115 -0.472 -3.020 5.374 1.00 0.00 O ATOM 717 CB GLU A 115 -3.006 -5.141 4.703 1.00 0.00 C ATOM 718 CG GLU A 115 -2.970 -4.350 3.409 1.00 0.00 C ATOM 719 CD GLU A 115 -3.467 -5.201 2.260 1.00 0.00 C ATOM 720 OE1 GLU A 115 -2.650 -5.931 1.671 1.00 0.00 O ATOM 721 OE2 GLU A 115 -4.674 -5.210 1.959 1.00 0.00 O ATOM 0 H GLU A 115 -2.585 -2.496 6.012 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.255 -5.301 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.597 -6.132 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.049 -5.278 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.588 -3.457 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.953 -4.014 3.208 1.00 0.00 H new ATOM 728 N VAL A 116 0.022 -5.216 5.451 1.00 0.00 N ATOM 729 CA VAL A 116 1.398 -5.029 5.060 1.00 0.00 C ATOM 730 C VAL A 116 1.528 -5.373 3.588 1.00 0.00 C ATOM 731 O VAL A 116 1.363 -6.532 3.180 1.00 0.00 O ATOM 732 CB VAL A 116 2.382 -5.896 5.900 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.829 -5.641 5.483 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.208 -5.623 7.386 1.00 0.00 C ATOM 0 H VAL A 116 -0.232 -6.184 5.647 1.00 0.00 H new ATOM 0 HA VAL A 116 1.667 -3.989 5.242 1.00 0.00 H new ATOM 0 HB VAL A 116 2.149 -6.943 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.495 -6.259 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.954 -5.892 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.072 -4.590 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.905 -6.239 7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.407 -4.571 7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.187 -5.863 7.683 1.00 0.00 H new ATOM 744 N THR A 117 1.798 -4.385 2.810 1.00 0.00 N ATOM 745 CA THR A 117 1.864 -4.537 1.387 1.00 0.00 C ATOM 746 C THR A 117 3.184 -3.957 0.864 1.00 0.00 C ATOM 747 O THR A 117 3.691 -2.973 1.413 1.00 0.00 O ATOM 748 CB THR A 117 0.628 -3.881 0.690 1.00 0.00 C ATOM 749 OG1 THR A 117 0.638 -4.130 -0.723 1.00 0.00 O ATOM 750 CG2 THR A 117 0.584 -2.388 0.939 1.00 0.00 C ATOM 0 H THR A 117 1.982 -3.437 3.139 1.00 0.00 H new ATOM 0 HA THR A 117 1.836 -5.599 1.144 1.00 0.00 H new ATOM 0 HB THR A 117 -0.262 -4.336 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.146 -3.711 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.287 -1.962 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.518 -2.200 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.489 -1.927 0.545 1.00 0.00 H new ATOM 758 N PRO A 118 3.816 -4.614 -0.122 1.00 0.00 N ATOM 759 CA PRO A 118 5.055 -4.134 -0.703 1.00 0.00 C ATOM 760 C PRO A 118 4.868 -2.783 -1.386 1.00 0.00 C ATOM 761 O PRO A 118 3.805 -2.499 -1.949 1.00 0.00 O ATOM 762 CB PRO A 118 5.420 -5.206 -1.732 1.00 0.00 C ATOM 763 CG PRO A 118 4.147 -5.884 -2.036 1.00 0.00 C ATOM 764 CD PRO A 118 3.356 -5.851 -0.765 1.00 0.00 C ATOM 0 HA PRO A 118 5.828 -3.981 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.856 -4.763 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.155 -5.905 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.616 -5.376 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.318 -6.909 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.283 -5.831 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.552 -6.725 -0.145 1.00 0.00 H new ATOM 772 N LEU A 119 5.904 -1.976 -1.357 1.00 0.00 N ATOM 773 CA LEU A 119 5.919 -0.641 -1.965 1.00 0.00 C ATOM 774 C LEU A 119 5.608 -0.709 -3.447 1.00 0.00 C ATOM 775 O LEU A 119 5.119 0.241 -4.026 1.00 0.00 O ATOM 776 CB LEU A 119 7.274 0.038 -1.749 1.00 0.00 C ATOM 777 CG LEU A 119 7.713 0.226 -0.294 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.054 0.916 -0.218 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.683 0.994 0.502 1.00 0.00 C ATOM 0 H LEU A 119 6.784 -2.223 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 119 5.144 -0.050 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.036 -0.547 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.247 1.017 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 119 7.807 -0.767 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.342 1.037 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.803 0.314 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.987 1.895 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.028 1.108 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.538 1.978 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.738 0.450 0.495 1.00 0.00 H new ATOM 791 N LEU A 120 5.908 -1.844 -4.045 1.00 0.00 N ATOM 792 CA LEU A 120 5.640 -2.102 -5.452 1.00 0.00 C ATOM 793 C LEU A 120 4.140 -2.091 -5.720 1.00 0.00 C ATOM 794 O LEU A 120 3.698 -1.773 -6.818 1.00 0.00 O ATOM 795 CB LEU A 120 6.268 -3.450 -5.867 1.00 0.00 C ATOM 796 CG LEU A 120 5.551 -4.741 -5.426 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.540 -5.160 -6.471 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.546 -5.851 -5.161 1.00 0.00 C ATOM 0 H LEU A 120 6.351 -2.626 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 120 6.092 -1.312 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.344 -3.464 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.285 -3.481 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 120 5.023 -4.541 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.040 -6.073 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.802 -4.369 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.049 -5.340 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.014 -6.750 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.111 -6.058 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.231 -5.545 -4.370 1.00 0.00 H new ATOM 810 N ASN A 121 3.381 -2.441 -4.710 1.00 0.00 N ATOM 811 CA ASN A 121 1.940 -2.507 -4.801 1.00 0.00 C ATOM 812 C ASN A 121 1.320 -1.180 -4.513 1.00 0.00 C ATOM 813 O ASN A 121 0.147 -0.957 -4.821 1.00 0.00 O ATOM 814 CB ASN A 121 1.364 -3.561 -3.852 1.00 0.00 C ATOM 815 CG ASN A 121 1.358 -4.958 -4.407 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.291 -5.166 -5.618 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.359 -5.915 -3.533 1.00 0.00 N ATOM 0 H ASN A 121 3.749 -2.691 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 121 1.700 -2.795 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.940 -3.553 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.343 -3.281 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.303 -6.886 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.416 -5.697 -2.538 1.00 0.00 H new ATOM 824 N LEU A 122 2.092 -0.293 -3.928 1.00 0.00 N ATOM 825 CA LEU A 122 1.592 1.005 -3.607 1.00 0.00 C ATOM 826 C LEU A 122 1.679 1.887 -4.810 1.00 0.00 C ATOM 827 O LEU A 122 2.713 1.967 -5.463 1.00 0.00 O ATOM 828 CB LEU A 122 2.363 1.618 -2.449 1.00 0.00 C ATOM 829 CG LEU A 122 2.272 0.891 -1.122 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.055 1.643 -0.065 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.821 0.741 -0.708 1.00 0.00 C ATOM 0 H LEU A 122 3.065 -0.455 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 122 0.550 0.909 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.413 1.682 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.009 2.639 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 122 2.703 -0.104 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.984 1.114 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.100 1.710 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.644 2.646 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.767 0.217 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.368 1.727 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.284 0.170 -1.466 1.00 0.00 H new ATOM 843 N LYS A 123 0.600 2.517 -5.098 1.00 0.00 N ATOM 844 CA LYS A 123 0.503 3.405 -6.216 1.00 0.00 C ATOM 845 C LYS A 123 0.253 4.801 -5.724 1.00 0.00 C ATOM 846 O LYS A 123 -0.209 4.970 -4.592 1.00 0.00 O ATOM 847 CB LYS A 123 -0.622 2.962 -7.146 1.00 0.00 C ATOM 848 CG LYS A 123 -0.455 1.567 -7.679 1.00 0.00 C ATOM 849 CD LYS A 123 -1.509 1.265 -8.716 1.00 0.00 C ATOM 850 CE LYS A 123 -1.266 -0.057 -9.433 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.291 -1.225 -8.523 1.00 0.00 N ATOM 0 H LYS A 123 -0.261 2.434 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 123 1.439 3.384 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.569 3.025 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.682 3.656 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.537 1.456 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.525 0.849 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.488 1.239 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.534 2.072 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.024 -0.189 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.301 -0.018 -9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.154 -2.097 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.529 -1.135 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.208 -1.265 -8.035 1.00 0.00 H new ATOM 865 N PRO A 124 0.548 5.821 -6.525 1.00 0.00 N ATOM 866 CA PRO A 124 0.237 7.182 -6.157 1.00 0.00 C ATOM 867 C PRO A 124 -1.265 7.407 -6.221 1.00 0.00 C ATOM 868 O PRO A 124 -1.987 6.697 -6.946 1.00 0.00 O ATOM 869 CB PRO A 124 0.972 8.033 -7.192 1.00 0.00 C ATOM 870 CG PRO A 124 1.146 7.143 -8.375 1.00 0.00 C ATOM 871 CD PRO A 124 1.212 5.735 -7.845 1.00 0.00 C ATOM 0 HA PRO A 124 0.541 7.430 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.398 8.923 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.934 8.374 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.315 7.257 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.056 7.395 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.700 5.035 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.242 5.391 -7.753 1.00 0.00 H new ATOM 879 N VAL A 125 -1.749 8.338 -5.452 1.00 0.00 N ATOM 880 CA VAL A 125 -3.163 8.584 -5.415 1.00 0.00 C ATOM 881 C VAL A 125 -3.638 9.385 -6.603 1.00 0.00 C ATOM 882 O VAL A 125 -3.047 10.414 -6.976 1.00 0.00 O ATOM 883 CB VAL A 125 -3.645 9.240 -4.097 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.497 8.276 -2.945 1.00 0.00 C ATOM 885 CG2 VAL A 125 -2.889 10.533 -3.807 1.00 0.00 C ATOM 0 H VAL A 125 -1.190 8.937 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.617 7.594 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.699 9.490 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.840 8.752 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.095 7.385 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.449 7.994 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.253 10.966 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.824 10.319 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -3.049 11.239 -4.622 1.00 0.00 H new ATOM 895 N GLU A 126 -4.659 8.890 -7.230 1.00 0.00 N ATOM 896 CA GLU A 126 -5.302 9.605 -8.283 1.00 0.00 C ATOM 897 C GLU A 126 -6.511 10.300 -7.698 1.00 0.00 C ATOM 898 O GLU A 126 -6.810 10.139 -6.499 1.00 0.00 O ATOM 899 CB GLU A 126 -5.715 8.680 -9.426 1.00 0.00 C ATOM 900 CG GLU A 126 -4.558 7.973 -10.101 1.00 0.00 C ATOM 901 CD GLU A 126 -5.000 7.181 -11.300 1.00 0.00 C ATOM 902 OE1 GLU A 126 -5.599 6.112 -11.135 1.00 0.00 O ATOM 903 OE2 GLU A 126 -4.753 7.611 -12.439 1.00 0.00 O ATOM 0 H GLU A 126 -5.069 7.979 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.608 10.331 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.408 7.932 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.256 9.262 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -3.814 8.708 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -4.074 7.308 -9.386 1.00 0.00 H new ATOM 910 N GLU A 127 -7.197 11.052 -8.497 1.00 0.00 N ATOM 911 CA GLU A 127 -8.359 11.782 -8.035 1.00 0.00 C ATOM 912 C GLU A 127 -9.625 11.001 -8.323 1.00 0.00 C ATOM 913 O GLU A 127 -10.720 11.369 -7.879 1.00 0.00 O ATOM 914 CB GLU A 127 -8.417 13.148 -8.701 1.00 0.00 C ATOM 915 CG GLU A 127 -7.161 13.985 -8.508 1.00 0.00 C ATOM 916 CD GLU A 127 -6.842 14.242 -7.060 1.00 0.00 C ATOM 917 OE1 GLU A 127 -7.536 15.045 -6.421 1.00 0.00 O ATOM 918 OE2 GLU A 127 -5.868 13.668 -6.535 1.00 0.00 O ATOM 0 H GLU A 127 -6.979 11.185 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 127 -8.278 11.920 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -8.591 13.013 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -9.272 13.697 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.317 13.477 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -7.284 14.938 -9.022 1.00 0.00 H new ATOM 925 N GLY A 128 -9.472 9.923 -9.022 1.00 0.00 N ATOM 926 CA GLY A 128 -10.580 9.129 -9.396 1.00 0.00 C ATOM 927 C GLY A 128 -10.187 7.695 -9.426 1.00 0.00 C ATOM 928 O GLY A 128 -8.997 7.418 -9.652 1.00 0.00 O ATOM 929 OXT GLY A 128 -11.049 6.813 -9.237 1.00 0.00 O ATOM 0 H GLY A 128 -8.570 9.574 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.399 9.276 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.944 9.436 -10.376 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -17.373 -2.374 -0.100 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.952 -3.732 0.205 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.648 -3.735 1.000 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.637 -2.771 2.152 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.294 -2.695 2.778 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.301 -2.316 1.804 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.074 -2.047 2.080 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.670 -2.121 3.384 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.363 -1.877 4.004 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.257 -1.731 1.046 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.843 -1.380 1.011 1.00 0.00 C HETATM 945 C 2MR A1129 -18.051 -4.435 0.944 1.00 0.00 C HETATM 946 O 2MR A1129 -18.540 -5.453 0.449 1.00 0.00 O HETATM 947 OXT 2MR A1129 -18.458 -3.949 2.010 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.676 -0.484 1.609 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.254 -2.202 1.417 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.540 -1.191 -0.019 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.627 -2.561 3.582 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.055 -0.849 3.812 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.434 -2.039 5.079 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.711 -1.740 0.133 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -15.935 -1.782 1.804 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.370 -3.082 2.896 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.592 -2.257 0.828 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.307 -1.971 3.593 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.035 -3.660 3.213 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.467 -4.741 1.379 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.824 -3.494 0.329 1.00 0.00 H new HETATM 0 HA 2MR A1129 -16.757 -4.267 -0.724 1.00 0.00 H new HETATM 0 H2 2MR A1129 -18.230 -2.212 -0.628 1.00 0.00 H new HETATM 0 H 2MR A1129 -16.811 -1.583 0.214 1.00 0.00 H new