USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 12:sc= -0.283! USER MOD Set 1.2: A 130 MET CE :methyl -110:sc= -3.95! (180deg=-7.01!) USER MOD Single : A 4 SER OG : rot 180:sc=0.000751 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 20 SER OG : rot -98:sc= 1.22 USER MOD Single : A 21 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-0.98) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 143:sc= 0.632 USER MOD Single : A 40 ASN : amide:sc= 0.87 K(o=0.87,f=-0.65) USER MOD Single : A 47 CYS SG : rot 60:sc= -0.562 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -125:sc= -0.118 (180deg=-0.156) USER MOD Single : A 53 SER OG : rot 100:sc= 0.559 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.227 K(o=-0.23,f=-3.6!) USER MOD Single : A 58 GLN :FLIP amide:sc= -1.68 F(o=-2.8,f=-1.7) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.328 F(o=-1.2,f=0.33) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= 1.29 (180deg=1.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.692 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 1.81 K(o=1.8,f=-9.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 129:sc= 1.23 USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 0.989 (180deg=0.967) USER MOD Single : A 90 THR OG1 : rot -12:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.75) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.66 K(o=0.66,f=-4.2!) USER MOD Single : A 100 SER OG : rot 115:sc= 0.868 USER MOD Single : A 105 GLN :FLIP amide:sc= -1.37 F(o=-4!,f=-1.4) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 120:sc= -0.296 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl 165:sc= -1.56 (180deg=-1.97) USER MOD Single : A 114 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.58) USER MOD Single : A 116 SER OG : rot 115:sc= 1.24 USER MOD Single : A 117 TYR OH : rot 2:sc= 0.04 USER MOD Single : A 118 THR OG1 : rot -124:sc= 1.68 USER MOD Single : A 122 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0828) USER MOD Single : A 123 SER OG : rot -65:sc= -1.21! USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.095 4.994 4.086 1.00 0.00 N ATOM 32 CA VAL A 3 141.198 5.116 2.651 1.00 0.00 C ATOM 33 C VAL A 3 142.043 6.335 2.250 1.00 0.00 C ATOM 34 O VAL A 3 142.052 7.359 2.939 1.00 0.00 O ATOM 35 CB VAL A 3 139.771 5.178 2.005 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.960 6.328 2.572 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.831 5.288 0.491 1.00 0.00 C ATOM 0 HA VAL A 3 141.709 4.231 2.272 1.00 0.00 H new ATOM 0 HB VAL A 3 139.278 4.239 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.976 6.344 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.848 6.198 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.473 7.269 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.819 5.328 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.368 6.195 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.349 4.420 0.083 1.00 0.00 H new ATOM 47 N SER A 4 142.806 6.178 1.205 1.00 0.00 N ATOM 48 CA SER A 4 143.539 7.257 0.601 1.00 0.00 C ATOM 49 C SER A 4 142.552 8.121 -0.178 1.00 0.00 C ATOM 50 O SER A 4 141.602 7.590 -0.751 1.00 0.00 O ATOM 51 CB SER A 4 144.592 6.670 -0.363 1.00 0.00 C ATOM 52 OG SER A 4 145.196 7.676 -1.162 1.00 0.00 O ATOM 0 H SER A 4 142.939 5.280 0.740 1.00 0.00 H new ATOM 0 HA SER A 4 144.043 7.856 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 4 145.360 6.152 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.121 5.928 -1.008 1.00 0.00 H new ATOM 0 HG SER A 4 145.858 7.267 -1.758 1.00 0.00 H new ATOM 58 N PRO A 5 142.747 9.455 -0.221 1.00 0.00 N ATOM 59 CA PRO A 5 141.883 10.356 -1.002 1.00 0.00 C ATOM 60 C PRO A 5 141.843 9.947 -2.483 1.00 0.00 C ATOM 61 O PRO A 5 140.869 10.198 -3.185 1.00 0.00 O ATOM 62 CB PRO A 5 142.551 11.722 -0.844 1.00 0.00 C ATOM 63 CG PRO A 5 143.307 11.621 0.431 1.00 0.00 C ATOM 64 CD PRO A 5 143.790 10.203 0.511 1.00 0.00 C ATOM 0 HA PRO A 5 140.848 10.340 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 5 143.213 11.939 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.813 12.523 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.143 12.320 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 5 142.672 11.866 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.771 10.084 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.880 9.865 1.543 1.00 0.00 H new ATOM 72 N GLU A 6 142.902 9.297 -2.937 1.00 0.00 N ATOM 73 CA GLU A 6 142.973 8.791 -4.294 1.00 0.00 C ATOM 74 C GLU A 6 142.063 7.582 -4.466 1.00 0.00 C ATOM 75 O GLU A 6 141.273 7.511 -5.401 1.00 0.00 O ATOM 76 CB GLU A 6 144.405 8.435 -4.649 1.00 0.00 C ATOM 77 CG GLU A 6 145.307 9.635 -4.809 1.00 0.00 C ATOM 78 CD GLU A 6 144.845 10.524 -5.934 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.054 10.150 -7.110 1.00 0.00 O ATOM 80 OE2 GLU A 6 144.253 11.598 -5.665 1.00 0.00 O ATOM 0 H GLU A 6 143.733 9.107 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 6 142.631 9.573 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.812 7.787 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.408 7.863 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.327 10.203 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 6 146.327 9.302 -5.002 1.00 0.00 H new ATOM 87 N GLU A 7 142.134 6.664 -3.536 1.00 0.00 N ATOM 88 CA GLU A 7 141.312 5.476 -3.603 1.00 0.00 C ATOM 89 C GLU A 7 139.840 5.870 -3.396 1.00 0.00 C ATOM 90 O GLU A 7 138.931 5.277 -3.972 1.00 0.00 O ATOM 91 CB GLU A 7 141.760 4.459 -2.550 1.00 0.00 C ATOM 92 CG GLU A 7 141.104 3.096 -2.681 1.00 0.00 C ATOM 93 CD GLU A 7 141.458 2.410 -3.984 1.00 0.00 C ATOM 94 OE1 GLU A 7 140.780 2.626 -4.998 1.00 0.00 O ATOM 95 OE2 GLU A 7 142.427 1.641 -4.014 1.00 0.00 O ATOM 0 H GLU A 7 142.750 6.713 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 7 141.420 5.010 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.841 4.337 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.544 4.860 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.411 2.466 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.022 3.208 -2.614 1.00 0.00 H new ATOM 102 N ALA A 8 139.631 6.901 -2.594 1.00 0.00 N ATOM 103 CA ALA A 8 138.310 7.415 -2.341 1.00 0.00 C ATOM 104 C ALA A 8 137.714 8.068 -3.603 1.00 0.00 C ATOM 105 O ALA A 8 136.546 7.877 -3.880 1.00 0.00 O ATOM 106 CB ALA A 8 138.298 8.346 -1.115 1.00 0.00 C ATOM 0 H ALA A 8 140.375 7.399 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 8 137.658 6.577 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.287 8.718 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.629 7.794 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.969 9.187 -1.290 1.00 0.00 H new ATOM 112 N VAL A 9 138.527 8.811 -4.406 1.00 0.00 N ATOM 113 CA VAL A 9 137.993 9.392 -5.676 1.00 0.00 C ATOM 114 C VAL A 9 137.601 8.296 -6.652 1.00 0.00 C ATOM 115 O VAL A 9 136.732 8.489 -7.514 1.00 0.00 O ATOM 116 CB VAL A 9 138.921 10.426 -6.409 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.247 11.603 -5.544 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.184 9.809 -6.985 1.00 0.00 C ATOM 0 H VAL A 9 139.507 9.016 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 9 137.123 9.962 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 9 138.336 10.781 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.891 12.291 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.326 12.114 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.762 11.263 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.775 10.582 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.769 9.360 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.916 9.042 -7.711 1.00 0.00 H new ATOM 128 N LYS A 10 138.230 7.141 -6.506 1.00 0.00 N ATOM 129 CA LYS A 10 137.905 5.985 -7.326 1.00 0.00 C ATOM 130 C LYS A 10 136.508 5.446 -6.981 1.00 0.00 C ATOM 131 O LYS A 10 135.856 4.796 -7.792 1.00 0.00 O ATOM 132 CB LYS A 10 138.960 4.891 -7.174 1.00 0.00 C ATOM 133 CG LYS A 10 140.373 5.351 -7.476 1.00 0.00 C ATOM 134 CD LYS A 10 140.490 5.952 -8.860 1.00 0.00 C ATOM 135 CE LYS A 10 141.885 6.477 -9.112 1.00 0.00 C ATOM 136 NZ LYS A 10 141.980 7.148 -10.419 1.00 0.00 N ATOM 0 H LYS A 10 138.971 6.979 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 10 137.899 6.304 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.924 4.505 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.709 4.063 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.681 6.087 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.056 4.506 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.241 5.200 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 10 139.769 6.762 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.160 7.176 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.598 5.653 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 142.950 7.496 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 141.741 6.474 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.317 7.949 -10.447 1.00 0.00 H new ATOM 150 N TRP A 11 136.030 5.762 -5.792 1.00 0.00 N ATOM 151 CA TRP A 11 134.695 5.347 -5.369 1.00 0.00 C ATOM 152 C TRP A 11 133.642 6.120 -6.122 1.00 0.00 C ATOM 153 O TRP A 11 132.502 5.711 -6.194 1.00 0.00 O ATOM 154 CB TRP A 11 134.495 5.540 -3.874 1.00 0.00 C ATOM 155 CG TRP A 11 135.371 4.683 -3.027 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.092 3.602 -3.422 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.577 4.816 -1.629 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.760 3.068 -2.359 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.453 3.792 -1.239 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.109 5.711 -0.668 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.868 3.635 0.070 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.520 5.548 0.638 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.387 4.519 0.993 1.00 0.00 C ATOM 0 H TRP A 11 136.543 6.305 -5.097 1.00 0.00 H new ATOM 0 HA TRP A 11 134.598 4.285 -5.592 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.678 6.585 -3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.454 5.332 -3.628 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.131 3.220 -4.432 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.385 2.262 -2.393 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.440 6.514 -0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.547 2.844 0.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 135.164 6.229 1.397 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.687 4.417 2.025 1.00 0.00 H new ATOM 174 N GLY A 12 134.053 7.228 -6.711 1.00 0.00 N ATOM 175 CA GLY A 12 133.153 8.039 -7.480 1.00 0.00 C ATOM 176 C GLY A 12 133.079 7.572 -8.917 1.00 0.00 C ATOM 177 O GLY A 12 132.443 8.212 -9.753 1.00 0.00 O ATOM 0 H GLY A 12 135.009 7.580 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.159 8.006 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.481 9.078 -7.450 1.00 0.00 H new ATOM 181 N GLU A 13 133.759 6.470 -9.215 1.00 0.00 N ATOM 182 CA GLU A 13 133.735 5.902 -10.550 1.00 0.00 C ATOM 183 C GLU A 13 132.626 4.873 -10.648 1.00 0.00 C ATOM 184 O GLU A 13 131.955 4.759 -11.673 1.00 0.00 O ATOM 185 CB GLU A 13 135.054 5.204 -10.884 1.00 0.00 C ATOM 186 CG GLU A 13 136.290 6.038 -10.664 1.00 0.00 C ATOM 187 CD GLU A 13 137.542 5.315 -11.083 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.947 4.349 -10.413 1.00 0.00 O ATOM 189 OE2 GLU A 13 138.131 5.682 -12.123 1.00 0.00 O ATOM 0 H GLU A 13 134.333 5.955 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 13 133.573 6.721 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 13 135.132 4.300 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.027 4.890 -11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.204 6.968 -11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.363 6.307 -9.610 1.00 0.00 H new ATOM 196 N SER A 14 132.431 4.131 -9.584 1.00 0.00 N ATOM 197 CA SER A 14 131.482 3.051 -9.583 1.00 0.00 C ATOM 198 C SER A 14 131.075 2.700 -8.165 1.00 0.00 C ATOM 199 O SER A 14 131.941 2.512 -7.286 1.00 0.00 O ATOM 200 CB SER A 14 132.103 1.822 -10.283 1.00 0.00 C ATOM 201 OG SER A 14 131.247 0.688 -10.243 1.00 0.00 O ATOM 0 H SER A 14 132.924 4.260 -8.701 1.00 0.00 H new ATOM 0 HA SER A 14 130.589 3.362 -10.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 132.324 2.071 -11.321 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.051 1.575 -9.806 1.00 0.00 H new ATOM 0 HG SER A 14 131.679 -0.064 -10.699 1.00 0.00 H new ATOM 207 N PHE A 15 129.770 2.589 -7.952 1.00 0.00 N ATOM 208 CA PHE A 15 129.211 2.210 -6.669 1.00 0.00 C ATOM 209 C PHE A 15 129.708 0.836 -6.259 1.00 0.00 C ATOM 210 O PHE A 15 129.954 0.600 -5.097 1.00 0.00 O ATOM 211 CB PHE A 15 127.678 2.249 -6.726 1.00 0.00 C ATOM 212 CG PHE A 15 126.967 1.863 -5.450 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.240 2.509 -4.260 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.000 0.875 -5.457 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.566 2.175 -3.106 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.327 0.540 -4.300 1.00 0.00 C ATOM 217 CZ PHE A 15 125.610 1.193 -3.128 1.00 0.00 C ATOM 0 H PHE A 15 129.068 2.761 -8.672 1.00 0.00 H new ATOM 0 HA PHE A 15 129.542 2.925 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.368 3.257 -7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.345 1.583 -7.522 1.00 0.00 H new ATOM 0 HD1 PHE A 15 127.991 3.285 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.769 0.360 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.791 2.688 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.577 -0.237 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.080 0.934 -2.223 1.00 0.00 H new ATOM 227 N ASP A 16 129.890 -0.051 -7.228 1.00 0.00 N ATOM 228 CA ASP A 16 130.405 -1.394 -6.951 1.00 0.00 C ATOM 229 C ASP A 16 131.797 -1.316 -6.344 1.00 0.00 C ATOM 230 O ASP A 16 132.107 -2.037 -5.409 1.00 0.00 O ATOM 231 CB ASP A 16 130.440 -2.265 -8.210 1.00 0.00 C ATOM 232 CG ASP A 16 130.957 -3.670 -7.928 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.148 -4.552 -7.551 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.174 -3.924 -8.086 1.00 0.00 O ATOM 0 H ASP A 16 129.691 0.130 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 16 129.723 -1.858 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.438 -2.328 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.074 -1.791 -8.959 1.00 0.00 H new ATOM 239 N LYS A 17 132.610 -0.389 -6.842 1.00 0.00 N ATOM 240 CA LYS A 17 133.968 -0.214 -6.337 1.00 0.00 C ATOM 241 C LYS A 17 133.932 0.281 -4.898 1.00 0.00 C ATOM 242 O LYS A 17 134.673 -0.194 -4.033 1.00 0.00 O ATOM 243 CB LYS A 17 134.770 0.748 -7.226 1.00 0.00 C ATOM 244 CG LYS A 17 136.100 1.133 -6.613 1.00 0.00 C ATOM 245 CD LYS A 17 136.986 1.938 -7.531 1.00 0.00 C ATOM 246 CE LYS A 17 137.372 1.180 -8.779 1.00 0.00 C ATOM 247 NZ LYS A 17 138.414 1.897 -9.527 1.00 0.00 N ATOM 0 H LYS A 17 132.353 0.251 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 17 134.470 -1.181 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 17 134.942 0.282 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.182 1.648 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 17 135.918 1.707 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 17 136.628 0.227 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.471 2.856 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.889 2.230 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 17 137.731 0.187 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 17 136.495 1.042 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.663 1.357 -10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.060 2.835 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.258 2.007 -8.929 1.00 0.00 H new ATOM 261 N LEU A 18 133.046 1.204 -4.663 1.00 0.00 N ATOM 262 CA LEU A 18 132.809 1.769 -3.355 1.00 0.00 C ATOM 263 C LEU A 18 132.348 0.690 -2.383 1.00 0.00 C ATOM 264 O LEU A 18 132.913 0.506 -1.307 1.00 0.00 O ATOM 265 CB LEU A 18 131.711 2.829 -3.504 1.00 0.00 C ATOM 266 CG LEU A 18 131.036 3.344 -2.235 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.022 4.059 -1.340 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.911 4.264 -2.613 1.00 0.00 C ATOM 0 H LEU A 18 132.450 1.599 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 18 133.727 2.207 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.141 3.685 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.936 2.419 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 18 130.644 2.494 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.510 4.414 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.819 3.372 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.449 4.908 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.425 4.635 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.305 5.104 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.185 3.721 -3.219 1.00 0.00 H new ATOM 280 N LEU A 19 131.374 -0.037 -2.823 1.00 0.00 N ATOM 281 CA LEU A 19 130.658 -0.992 -2.034 1.00 0.00 C ATOM 282 C LEU A 19 131.467 -2.260 -1.753 1.00 0.00 C ATOM 283 O LEU A 19 131.245 -2.937 -0.748 1.00 0.00 O ATOM 284 CB LEU A 19 129.398 -1.326 -2.786 1.00 0.00 C ATOM 285 CG LEU A 19 128.245 -1.822 -1.983 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.873 -0.771 -0.934 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.091 -2.077 -2.927 1.00 0.00 C ATOM 0 H LEU A 19 131.039 0.019 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 19 130.442 -0.560 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.078 -0.434 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.640 -2.081 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 19 128.497 -2.747 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.030 -1.129 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.726 -0.594 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.599 0.159 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.233 -2.442 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.824 -1.150 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.383 -2.824 -3.665 1.00 0.00 H new ATOM 299 N SER A 20 132.380 -2.592 -2.632 1.00 0.00 N ATOM 300 CA SER A 20 133.192 -3.769 -2.431 1.00 0.00 C ATOM 301 C SER A 20 134.396 -3.468 -1.550 1.00 0.00 C ATOM 302 O SER A 20 135.019 -4.376 -1.014 1.00 0.00 O ATOM 303 CB SER A 20 133.613 -4.385 -3.775 1.00 0.00 C ATOM 304 OG SER A 20 134.220 -3.418 -4.625 1.00 0.00 O ATOM 0 H SER A 20 132.579 -2.071 -3.486 1.00 0.00 H new ATOM 0 HA SER A 20 132.586 -4.508 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.310 -5.204 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 20 132.740 -4.810 -4.271 1.00 0.00 H new ATOM 0 HG SER A 20 133.556 -3.078 -5.261 1.00 0.00 H new ATOM 310 N HIS A 21 134.694 -2.198 -1.379 1.00 0.00 N ATOM 311 CA HIS A 21 135.837 -1.775 -0.598 1.00 0.00 C ATOM 312 C HIS A 21 135.399 -1.737 0.858 1.00 0.00 C ATOM 313 O HIS A 21 134.357 -1.162 1.145 1.00 0.00 O ATOM 314 CB HIS A 21 136.257 -0.362 -1.039 1.00 0.00 C ATOM 315 CG HIS A 21 137.725 -0.082 -0.952 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.319 0.634 0.070 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.721 -0.393 -1.808 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.609 0.749 -0.177 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.871 0.134 -1.305 1.00 0.00 N ATOM 0 H HIS A 21 134.152 -1.431 -1.776 1.00 0.00 H new ATOM 0 HA HIS A 21 136.678 -2.455 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.933 -0.208 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.727 0.366 -0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.624 -0.957 -2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.328 1.263 0.444 1.00 0.00 H new ATOM 0 HE2 HIS A 21 140.792 0.062 -1.738 1.00 0.00 H new ATOM 328 N ARG A 22 136.184 -2.314 1.772 1.00 0.00 N ATOM 329 CA ARG A 22 135.792 -2.351 3.203 1.00 0.00 C ATOM 330 C ARG A 22 135.510 -0.955 3.741 1.00 0.00 C ATOM 331 O ARG A 22 134.463 -0.703 4.309 1.00 0.00 O ATOM 332 CB ARG A 22 136.833 -3.034 4.125 1.00 0.00 C ATOM 333 CG ARG A 22 136.839 -4.573 4.187 1.00 0.00 C ATOM 334 CD ARG A 22 137.722 -5.250 3.144 1.00 0.00 C ATOM 335 NE ARG A 22 137.198 -5.218 1.783 1.00 0.00 N ATOM 336 CZ ARG A 22 137.903 -5.574 0.691 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.154 -6.011 0.805 1.00 0.00 N ATOM 338 NH2 ARG A 22 137.341 -5.509 -0.497 1.00 0.00 N ATOM 0 H ARG A 22 137.079 -2.756 1.563 1.00 0.00 H new ATOM 0 HA ARG A 22 134.885 -2.956 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.824 -2.708 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.681 -2.659 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 22 137.170 -4.882 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 135.817 -4.932 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 22 138.701 -4.772 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.873 -6.289 3.436 1.00 0.00 H new ATOM 0 HE ARG A 22 136.236 -4.906 1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 22 139.589 -6.079 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 139.679 -6.278 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 22 136.376 -5.190 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 22 137.870 -5.777 -1.327 1.00 0.00 H new ATOM 352 N ASP A 23 136.427 -0.046 3.514 1.00 0.00 N ATOM 353 CA ASP A 23 136.292 1.322 4.021 1.00 0.00 C ATOM 354 C ASP A 23 135.228 2.100 3.237 1.00 0.00 C ATOM 355 O ASP A 23 134.710 3.112 3.697 1.00 0.00 O ATOM 356 CB ASP A 23 137.634 2.046 3.935 1.00 0.00 C ATOM 357 CG ASP A 23 137.745 3.166 4.921 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.082 2.900 6.085 1.00 0.00 O ATOM 359 OD2 ASP A 23 137.528 4.316 4.581 1.00 0.00 O ATOM 0 H ASP A 23 137.280 -0.217 2.982 1.00 0.00 H new ATOM 0 HA ASP A 23 135.976 1.268 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 23 138.440 1.333 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.767 2.439 2.927 1.00 0.00 H new ATOM 364 N GLY A 24 134.877 1.595 2.064 1.00 0.00 N ATOM 365 CA GLY A 24 133.915 2.277 1.227 1.00 0.00 C ATOM 366 C GLY A 24 132.534 1.890 1.582 1.00 0.00 C ATOM 367 O GLY A 24 131.651 2.729 1.671 1.00 0.00 O ATOM 0 H GLY A 24 135.242 0.724 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 24 134.033 3.355 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.105 2.039 0.180 1.00 0.00 H new ATOM 371 N LEU A 25 132.348 0.616 1.802 1.00 0.00 N ATOM 372 CA LEU A 25 131.102 0.086 2.282 1.00 0.00 C ATOM 373 C LEU A 25 130.803 0.689 3.648 1.00 0.00 C ATOM 374 O LEU A 25 129.662 0.971 3.988 1.00 0.00 O ATOM 375 CB LEU A 25 131.161 -1.474 2.267 1.00 0.00 C ATOM 376 CG LEU A 25 130.657 -2.271 3.489 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.353 -3.696 3.062 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.734 -2.319 4.582 1.00 0.00 C ATOM 0 H LEU A 25 133.067 -0.091 1.651 1.00 0.00 H new ATOM 0 HA LEU A 25 130.271 0.361 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.593 -1.813 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.200 -1.759 2.098 1.00 0.00 H new ATOM 0 HG LEU A 25 129.764 -1.782 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.996 -4.265 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.586 -3.688 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.258 -4.160 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.361 -2.885 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.629 -2.802 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.978 -1.305 4.898 1.00 0.00 H new ATOM 390 N GLU A 26 131.867 0.959 4.369 1.00 0.00 N ATOM 391 CA GLU A 26 131.803 1.561 5.661 1.00 0.00 C ATOM 392 C GLU A 26 131.478 3.082 5.524 1.00 0.00 C ATOM 393 O GLU A 26 130.732 3.645 6.346 1.00 0.00 O ATOM 394 CB GLU A 26 133.132 1.312 6.368 1.00 0.00 C ATOM 395 CG GLU A 26 133.139 1.588 7.855 1.00 0.00 C ATOM 396 CD GLU A 26 132.198 0.682 8.617 1.00 0.00 C ATOM 397 OE1 GLU A 26 132.586 -0.435 8.991 1.00 0.00 O ATOM 398 OE2 GLU A 26 131.063 1.087 8.893 1.00 0.00 O ATOM 0 H GLU A 26 132.817 0.758 4.058 1.00 0.00 H new ATOM 0 HA GLU A 26 131.004 1.122 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.420 0.273 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.896 1.931 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 26 134.151 1.462 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.859 2.627 8.030 1.00 0.00 H new ATOM 405 N ALA A 27 131.990 3.736 4.458 1.00 0.00 N ATOM 406 CA ALA A 27 131.666 5.159 4.228 1.00 0.00 C ATOM 407 C ALA A 27 130.228 5.273 3.787 1.00 0.00 C ATOM 408 O ALA A 27 129.459 6.114 4.283 1.00 0.00 O ATOM 409 CB ALA A 27 132.552 5.795 3.154 1.00 0.00 C ATOM 0 H ALA A 27 132.609 3.317 3.764 1.00 0.00 H new ATOM 0 HA ALA A 27 131.840 5.687 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.273 6.841 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.596 5.734 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.419 5.264 2.211 1.00 0.00 H new ATOM 415 N PHE A 28 129.850 4.403 2.871 1.00 0.00 N ATOM 416 CA PHE A 28 128.528 4.410 2.335 1.00 0.00 C ATOM 417 C PHE A 28 127.520 4.072 3.406 1.00 0.00 C ATOM 418 O PHE A 28 126.471 4.693 3.474 1.00 0.00 O ATOM 419 CB PHE A 28 128.385 3.469 1.139 1.00 0.00 C ATOM 420 CG PHE A 28 127.055 3.609 0.470 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.811 4.678 -0.374 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.043 2.696 0.701 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.586 4.834 -0.975 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.820 2.847 0.101 1.00 0.00 C ATOM 425 CZ PHE A 28 124.590 3.919 -0.739 1.00 0.00 C ATOM 0 H PHE A 28 130.457 3.679 2.487 1.00 0.00 H new ATOM 0 HA PHE A 28 128.331 5.419 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.176 3.676 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.517 2.439 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.593 5.398 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.217 1.858 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.407 5.673 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.036 2.128 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.626 4.038 -1.211 1.00 0.00 H new ATOM 435 N THR A 29 127.847 3.117 4.270 1.00 0.00 N ATOM 436 CA THR A 29 126.934 2.761 5.318 1.00 0.00 C ATOM 437 C THR A 29 126.754 3.936 6.298 1.00 0.00 C ATOM 438 O THR A 29 125.697 4.097 6.840 1.00 0.00 O ATOM 439 CB THR A 29 127.294 1.424 6.053 1.00 0.00 C ATOM 440 OG1 THR A 29 126.175 0.973 6.815 1.00 0.00 O ATOM 441 CG2 THR A 29 128.464 1.592 6.998 1.00 0.00 C ATOM 0 H THR A 29 128.722 2.592 4.257 1.00 0.00 H new ATOM 0 HA THR A 29 125.976 2.559 4.839 1.00 0.00 H new ATOM 0 HB THR A 29 127.563 0.701 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.405 0.137 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.678 0.641 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.340 1.918 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.218 2.339 7.753 1.00 0.00 H new ATOM 449 N ARG A 30 127.787 4.802 6.465 1.00 0.00 N ATOM 450 CA ARG A 30 127.625 6.020 7.295 1.00 0.00 C ATOM 451 C ARG A 30 126.483 6.849 6.745 1.00 0.00 C ATOM 452 O ARG A 30 125.577 7.272 7.482 1.00 0.00 O ATOM 453 CB ARG A 30 128.886 6.906 7.297 1.00 0.00 C ATOM 454 CG ARG A 30 130.070 6.374 8.059 1.00 0.00 C ATOM 455 CD ARG A 30 129.724 6.187 9.523 1.00 0.00 C ATOM 456 NE ARG A 30 130.887 5.812 10.330 1.00 0.00 N ATOM 457 CZ ARG A 30 131.472 4.612 10.328 1.00 0.00 C ATOM 458 NH1 ARG A 30 131.058 3.676 9.480 1.00 0.00 N ATOM 459 NH2 ARG A 30 132.484 4.367 11.156 1.00 0.00 N ATOM 0 H ARG A 30 128.711 4.685 6.050 1.00 0.00 H new ATOM 0 HA ARG A 30 127.433 5.687 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.190 7.072 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.621 7.879 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 30 130.387 5.423 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.910 7.063 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 30 129.298 7.111 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 30 128.957 5.418 9.617 1.00 0.00 H new ATOM 0 HE ARG A 30 131.282 6.525 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 30 130.295 3.875 8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 30 131.503 2.758 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 30 132.811 5.095 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 30 132.932 3.451 11.156 1.00 0.00 H new ATOM 473 N PHE A 31 126.516 7.037 5.444 1.00 0.00 N ATOM 474 CA PHE A 31 125.514 7.806 4.747 1.00 0.00 C ATOM 475 C PHE A 31 124.168 7.066 4.731 1.00 0.00 C ATOM 476 O PHE A 31 123.109 7.662 4.899 1.00 0.00 O ATOM 477 CB PHE A 31 125.992 8.111 3.325 1.00 0.00 C ATOM 478 CG PHE A 31 125.054 8.972 2.549 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.027 10.331 2.756 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.198 8.423 1.616 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.164 11.129 2.051 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.333 9.220 0.907 1.00 0.00 C ATOM 483 CZ PHE A 31 123.317 10.572 1.126 1.00 0.00 C ATOM 0 H PHE A 31 127.244 6.658 4.838 1.00 0.00 H new ATOM 0 HA PHE A 31 125.363 8.748 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.964 8.602 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.136 7.172 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.693 10.774 3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.208 7.357 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.151 12.195 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.667 8.782 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.637 11.200 0.570 1.00 0.00 H new ATOM 493 N LEU A 32 124.223 5.777 4.570 1.00 0.00 N ATOM 494 CA LEU A 32 123.034 4.952 4.533 1.00 0.00 C ATOM 495 C LEU A 32 122.355 4.966 5.914 1.00 0.00 C ATOM 496 O LEU A 32 121.132 4.932 6.030 1.00 0.00 O ATOM 497 CB LEU A 32 123.420 3.540 4.130 1.00 0.00 C ATOM 498 CG LEU A 32 122.307 2.646 3.618 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.642 3.275 2.401 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.869 1.293 3.253 1.00 0.00 C ATOM 0 H LEU A 32 125.094 5.258 4.459 1.00 0.00 H new ATOM 0 HA LEU A 32 122.328 5.343 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.186 3.605 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.877 3.054 4.992 1.00 0.00 H new ATOM 0 HG LEU A 32 121.560 2.527 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.845 2.623 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.223 4.243 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.381 3.410 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 32 122.067 0.653 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.624 1.410 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 32 123.322 0.838 4.134 1.00 0.00 H new ATOM 512 N LYS A 33 123.164 5.049 6.947 1.00 0.00 N ATOM 513 CA LYS A 33 122.684 5.154 8.307 1.00 0.00 C ATOM 514 C LYS A 33 122.118 6.548 8.582 1.00 0.00 C ATOM 515 O LYS A 33 121.143 6.692 9.305 1.00 0.00 O ATOM 516 CB LYS A 33 123.801 4.810 9.308 1.00 0.00 C ATOM 517 CG LYS A 33 124.202 3.350 9.303 1.00 0.00 C ATOM 518 CD LYS A 33 125.362 3.058 10.239 1.00 0.00 C ATOM 519 CE LYS A 33 125.670 1.565 10.235 1.00 0.00 C ATOM 520 NZ LYS A 33 126.731 1.183 11.193 1.00 0.00 N ATOM 0 H LYS A 33 124.181 5.045 6.866 1.00 0.00 H new ATOM 0 HA LYS A 33 121.877 4.432 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.677 5.418 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.473 5.083 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.345 2.741 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.475 3.056 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.242 3.620 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.116 3.385 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 33 124.760 1.013 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 33 125.972 1.266 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 126.892 0.157 11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 127.611 1.684 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 126.437 1.439 12.157 1.00 0.00 H new ATOM 534 N THR A 34 122.699 7.572 7.964 1.00 0.00 N ATOM 535 CA THR A 34 122.241 8.931 8.186 1.00 0.00 C ATOM 536 C THR A 34 120.890 9.166 7.448 1.00 0.00 C ATOM 537 O THR A 34 120.104 10.036 7.826 1.00 0.00 O ATOM 538 CB THR A 34 123.345 10.008 7.809 1.00 0.00 C ATOM 539 OG1 THR A 34 123.100 11.266 8.461 1.00 0.00 O ATOM 540 CG2 THR A 34 123.412 10.261 6.315 1.00 0.00 C ATOM 0 H THR A 34 123.479 7.484 7.313 1.00 0.00 H new ATOM 0 HA THR A 34 122.064 9.063 9.253 1.00 0.00 H new ATOM 0 HB THR A 34 124.292 9.589 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.798 11.906 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.181 11.005 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.656 9.332 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.447 10.628 5.965 1.00 0.00 H new ATOM 548 N GLU A 35 120.613 8.364 6.412 1.00 0.00 N ATOM 549 CA GLU A 35 119.315 8.428 5.744 1.00 0.00 C ATOM 550 C GLU A 35 118.361 7.400 6.344 1.00 0.00 C ATOM 551 O GLU A 35 117.201 7.289 5.919 1.00 0.00 O ATOM 552 CB GLU A 35 119.417 8.229 4.230 1.00 0.00 C ATOM 553 CG GLU A 35 120.017 6.909 3.792 1.00 0.00 C ATOM 554 CD GLU A 35 119.788 6.636 2.332 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.435 7.261 1.483 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.928 5.793 2.011 1.00 0.00 O ATOM 0 H GLU A 35 121.260 7.676 6.026 1.00 0.00 H new ATOM 0 HA GLU A 35 118.925 9.432 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.419 8.317 3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 35 120.016 9.038 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.088 6.914 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.584 6.102 4.383 1.00 0.00 H new ATOM 563 N PHE A 36 118.874 6.661 7.335 1.00 0.00 N ATOM 564 CA PHE A 36 118.131 5.637 8.072 1.00 0.00 C ATOM 565 C PHE A 36 117.645 4.509 7.155 1.00 0.00 C ATOM 566 O PHE A 36 116.510 4.040 7.269 1.00 0.00 O ATOM 567 CB PHE A 36 116.967 6.266 8.863 1.00 0.00 C ATOM 568 CG PHE A 36 117.409 7.308 9.858 1.00 0.00 C ATOM 569 CD1 PHE A 36 118.017 6.937 11.045 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.226 8.658 9.597 1.00 0.00 C ATOM 571 CE1 PHE A 36 118.432 7.889 11.955 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.640 9.614 10.502 1.00 0.00 C ATOM 573 CZ PHE A 36 118.244 9.230 11.683 1.00 0.00 C ATOM 0 H PHE A 36 119.838 6.762 7.652 1.00 0.00 H new ATOM 0 HA PHE A 36 118.818 5.185 8.788 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.265 6.719 8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.428 5.478 9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 36 118.169 5.890 11.262 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.754 8.964 8.675 1.00 0.00 H new ATOM 0 HE1 PHE A 36 118.903 7.585 12.878 1.00 0.00 H new ATOM 0 HE2 PHE A 36 117.492 10.662 10.287 1.00 0.00 H new ATOM 0 HZ PHE A 36 118.569 9.977 12.392 1.00 0.00 H new ATOM 583 N SER A 37 118.524 4.050 6.290 1.00 0.00 N ATOM 584 CA SER A 37 118.206 2.977 5.369 1.00 0.00 C ATOM 585 C SER A 37 119.350 1.947 5.358 1.00 0.00 C ATOM 586 O SER A 37 119.569 1.244 4.351 1.00 0.00 O ATOM 587 CB SER A 37 118.052 3.553 3.972 1.00 0.00 C ATOM 588 OG SER A 37 117.184 4.680 3.942 1.00 0.00 O ATOM 0 H SER A 37 119.475 4.407 6.204 1.00 0.00 H new ATOM 0 HA SER A 37 117.281 2.493 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.032 3.842 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.666 2.782 3.305 1.00 0.00 H new ATOM 0 HG SER A 37 117.527 5.340 3.304 1.00 0.00 H new ATOM 594 N GLU A 38 120.020 1.791 6.499 1.00 0.00 N ATOM 595 CA GLU A 38 121.224 0.948 6.597 1.00 0.00 C ATOM 596 C GLU A 38 120.917 -0.541 6.376 1.00 0.00 C ATOM 597 O GLU A 38 121.809 -1.328 6.034 1.00 0.00 O ATOM 598 CB GLU A 38 121.924 1.124 7.952 1.00 0.00 C ATOM 599 CG GLU A 38 121.091 0.704 9.157 1.00 0.00 C ATOM 600 CD GLU A 38 121.858 0.753 10.453 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.572 -0.222 10.769 1.00 0.00 O ATOM 602 OE2 GLU A 38 121.757 1.749 11.193 1.00 0.00 O ATOM 0 H GLU A 38 119.752 2.238 7.376 1.00 0.00 H new ATOM 0 HA GLU A 38 121.889 1.282 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.848 0.546 7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.204 2.171 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.220 1.354 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 38 120.720 -0.309 8.999 1.00 0.00 H new ATOM 609 N GLU A 39 119.653 -0.914 6.496 1.00 0.00 N ATOM 610 CA GLU A 39 119.268 -2.309 6.403 1.00 0.00 C ATOM 611 C GLU A 39 119.212 -2.787 4.958 1.00 0.00 C ATOM 612 O GLU A 39 118.928 -3.931 4.700 1.00 0.00 O ATOM 613 CB GLU A 39 117.960 -2.641 7.173 1.00 0.00 C ATOM 614 CG GLU A 39 116.674 -2.003 6.648 1.00 0.00 C ATOM 615 CD GLU A 39 116.655 -0.507 6.753 1.00 0.00 C ATOM 616 OE1 GLU A 39 116.382 0.032 7.845 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.928 0.157 5.761 1.00 0.00 O ATOM 0 H GLU A 39 118.879 -0.270 6.658 1.00 0.00 H new ATOM 0 HA GLU A 39 120.058 -2.869 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 39 117.829 -3.723 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 39 118.091 -2.338 8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.538 -2.287 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 39 115.826 -2.408 7.201 1.00 0.00 H new ATOM 624 N ASN A 40 119.501 -1.902 4.025 1.00 0.00 N ATOM 625 CA ASN A 40 119.597 -2.288 2.619 1.00 0.00 C ATOM 626 C ASN A 40 120.955 -2.897 2.360 1.00 0.00 C ATOM 627 O ASN A 40 121.093 -3.981 1.717 1.00 0.00 O ATOM 628 CB ASN A 40 119.345 -1.106 1.685 1.00 0.00 C ATOM 629 CG ASN A 40 117.904 -0.672 1.696 1.00 0.00 C ATOM 630 OD1 ASN A 40 117.090 -1.189 0.943 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.579 0.282 2.519 1.00 0.00 N ATOM 0 H ASN A 40 119.674 -0.913 4.207 1.00 0.00 H new ATOM 0 HA ASN A 40 118.821 -3.025 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.977 -0.269 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.633 -1.379 0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.618 0.623 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.285 0.689 3.132 1.00 0.00 H new ATOM 638 N ILE A 41 121.973 -2.271 2.929 1.00 0.00 N ATOM 639 CA ILE A 41 123.297 -2.792 2.797 1.00 0.00 C ATOM 640 C ILE A 41 123.341 -4.100 3.590 1.00 0.00 C ATOM 641 O ILE A 41 123.917 -5.083 3.152 1.00 0.00 O ATOM 642 CB ILE A 41 124.409 -1.758 3.241 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.590 -1.794 2.248 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.892 -1.971 4.688 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.713 -0.820 2.559 1.00 0.00 C ATOM 0 H ILE A 41 121.896 -1.414 3.477 1.00 0.00 H new ATOM 0 HA ILE A 41 123.526 -2.984 1.749 1.00 0.00 H new ATOM 0 HB ILE A 41 123.953 -0.768 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.999 -2.804 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.212 -1.583 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.654 -1.230 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 41 124.050 -1.863 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.314 -2.971 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.497 -0.917 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.325 0.198 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 41 127.124 -1.041 3.544 1.00 0.00 H new ATOM 657 N GLU A 42 122.603 -4.132 4.713 1.00 0.00 N ATOM 658 CA GLU A 42 122.492 -5.334 5.485 1.00 0.00 C ATOM 659 C GLU A 42 121.435 -6.304 4.991 1.00 0.00 C ATOM 660 O GLU A 42 121.307 -7.393 5.519 1.00 0.00 O ATOM 661 CB GLU A 42 122.514 -5.131 6.996 1.00 0.00 C ATOM 662 CG GLU A 42 123.924 -4.839 7.507 1.00 0.00 C ATOM 663 CD GLU A 42 124.034 -4.858 9.007 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.208 -5.957 9.585 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.976 -3.798 9.637 1.00 0.00 O ATOM 0 H GLU A 42 122.087 -3.335 5.086 1.00 0.00 H new ATOM 0 HA GLU A 42 123.431 -5.851 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.853 -4.306 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.126 -6.023 7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.612 -5.574 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.240 -3.863 7.140 1.00 0.00 H new ATOM 672 N PHE A 43 120.704 -5.912 3.967 1.00 0.00 N ATOM 673 CA PHE A 43 119.823 -6.809 3.262 1.00 0.00 C ATOM 674 C PHE A 43 120.691 -7.814 2.541 1.00 0.00 C ATOM 675 O PHE A 43 120.603 -9.032 2.775 1.00 0.00 O ATOM 676 CB PHE A 43 118.955 -6.017 2.259 1.00 0.00 C ATOM 677 CG PHE A 43 118.151 -6.841 1.298 1.00 0.00 C ATOM 678 CD1 PHE A 43 118.690 -7.233 0.081 1.00 0.00 C ATOM 679 CD2 PHE A 43 116.870 -7.213 1.599 1.00 0.00 C ATOM 680 CE1 PHE A 43 117.959 -7.983 -0.805 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.129 -7.961 0.717 1.00 0.00 C ATOM 682 CZ PHE A 43 116.674 -8.348 -0.489 1.00 0.00 C ATOM 0 H PHE A 43 120.707 -4.959 3.603 1.00 0.00 H new ATOM 0 HA PHE A 43 119.148 -7.317 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.272 -5.381 2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.606 -5.357 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 43 119.699 -6.944 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.436 -6.915 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.393 -8.285 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.118 -8.246 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.092 -8.936 -1.183 1.00 0.00 H new ATOM 692 N TRP A 44 121.583 -7.322 1.697 1.00 0.00 N ATOM 693 CA TRP A 44 122.441 -8.268 1.008 1.00 0.00 C ATOM 694 C TRP A 44 123.658 -8.699 1.814 1.00 0.00 C ATOM 695 O TRP A 44 124.244 -9.736 1.541 1.00 0.00 O ATOM 696 CB TRP A 44 122.736 -7.948 -0.458 1.00 0.00 C ATOM 697 CG TRP A 44 123.236 -6.591 -0.737 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.560 -5.610 -1.381 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.516 -6.057 -0.402 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.336 -4.504 -1.480 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.542 -4.748 -0.870 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.643 -6.563 0.255 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.642 -3.934 -0.705 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.737 -5.751 0.417 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.729 -4.450 -0.057 1.00 0.00 C ATOM 0 H TRP A 44 121.728 -6.336 1.481 1.00 0.00 H new ATOM 0 HA TRP A 44 121.821 -9.161 0.937 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.469 -8.666 -0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.823 -8.102 -1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.552 -5.697 -1.759 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.068 -3.631 -1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.652 -7.576 0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.645 -2.920 -1.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.614 -6.131 0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.601 -3.829 0.089 1.00 0.00 H new ATOM 716 N ILE A 45 124.035 -7.919 2.819 1.00 0.00 N ATOM 717 CA ILE A 45 125.059 -8.366 3.758 1.00 0.00 C ATOM 718 C ILE A 45 124.513 -9.536 4.577 1.00 0.00 C ATOM 719 O ILE A 45 125.263 -10.429 4.973 1.00 0.00 O ATOM 720 CB ILE A 45 125.621 -7.205 4.648 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.740 -6.451 3.908 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.052 -7.643 6.046 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.277 -5.243 4.651 1.00 0.00 C ATOM 0 H ILE A 45 123.656 -6.990 3.004 1.00 0.00 H new ATOM 0 HA ILE A 45 125.922 -8.714 3.191 1.00 0.00 H new ATOM 0 HB ILE A 45 124.791 -6.519 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.562 -7.141 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.364 -6.128 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.429 -6.781 6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.198 -8.067 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.838 -8.394 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 45 128.061 -4.771 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.470 -4.530 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.687 -5.559 5.611 1.00 0.00 H new ATOM 735 N ALA A 46 123.187 -9.556 4.779 1.00 0.00 N ATOM 736 CA ALA A 46 122.547 -10.701 5.402 1.00 0.00 C ATOM 737 C ALA A 46 122.663 -11.870 4.467 1.00 0.00 C ATOM 738 O ALA A 46 122.936 -12.961 4.886 1.00 0.00 O ATOM 739 CB ALA A 46 121.079 -10.457 5.696 1.00 0.00 C ATOM 0 H ALA A 46 122.553 -8.799 4.521 1.00 0.00 H new ATOM 0 HA ALA A 46 123.045 -10.890 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.649 -11.344 6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.980 -9.608 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.552 -10.243 4.766 1.00 0.00 H new ATOM 745 N CYS A 47 122.478 -11.608 3.179 1.00 0.00 N ATOM 746 CA CYS A 47 122.594 -12.637 2.153 1.00 0.00 C ATOM 747 C CYS A 47 124.022 -13.214 2.109 1.00 0.00 C ATOM 748 O CYS A 47 124.212 -14.390 1.839 1.00 0.00 O ATOM 749 CB CYS A 47 122.186 -12.074 0.795 1.00 0.00 C ATOM 750 SG CYS A 47 120.515 -11.374 0.765 1.00 0.00 S ATOM 0 H CYS A 47 122.245 -10.683 2.818 1.00 0.00 H new ATOM 0 HA CYS A 47 121.918 -13.454 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.898 -11.302 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.251 -12.866 0.049 1.00 0.00 H new ATOM 0 HG CYS A 47 120.438 -10.398 1.621 1.00 0.00 H new ATOM 756 N GLU A 48 125.009 -12.383 2.392 1.00 0.00 N ATOM 757 CA GLU A 48 126.396 -12.830 2.476 1.00 0.00 C ATOM 758 C GLU A 48 126.607 -13.610 3.774 1.00 0.00 C ATOM 759 O GLU A 48 127.307 -14.618 3.813 1.00 0.00 O ATOM 760 CB GLU A 48 127.350 -11.642 2.404 1.00 0.00 C ATOM 761 CG GLU A 48 127.260 -10.858 1.107 1.00 0.00 C ATOM 762 CD GLU A 48 127.583 -11.696 -0.106 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.773 -11.853 -0.432 1.00 0.00 O ATOM 764 OE2 GLU A 48 126.656 -12.202 -0.769 1.00 0.00 O ATOM 0 H GLU A 48 124.878 -11.387 2.569 1.00 0.00 H new ATOM 0 HA GLU A 48 126.608 -13.484 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.143 -10.971 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.372 -12.001 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.255 -10.449 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.945 -10.011 1.151 1.00 0.00 H new ATOM 771 N ASP A 49 125.961 -13.154 4.827 1.00 0.00 N ATOM 772 CA ASP A 49 125.993 -13.827 6.134 1.00 0.00 C ATOM 773 C ASP A 49 125.342 -15.193 6.011 1.00 0.00 C ATOM 774 O ASP A 49 125.728 -16.164 6.651 1.00 0.00 O ATOM 775 CB ASP A 49 125.243 -12.993 7.171 1.00 0.00 C ATOM 776 CG ASP A 49 125.245 -13.619 8.535 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.248 -13.473 9.242 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.232 -14.243 8.932 1.00 0.00 O ATOM 0 H ASP A 49 125.395 -12.306 4.813 1.00 0.00 H new ATOM 0 HA ASP A 49 127.029 -13.941 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 49 125.696 -12.003 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.213 -12.854 6.842 1.00 0.00 H new ATOM 783 N PHE A 50 124.370 -15.231 5.167 1.00 0.00 N ATOM 784 CA PHE A 50 123.632 -16.401 4.822 1.00 0.00 C ATOM 785 C PHE A 50 124.445 -17.310 3.872 1.00 0.00 C ATOM 786 O PHE A 50 124.388 -18.526 3.975 1.00 0.00 O ATOM 787 CB PHE A 50 122.285 -15.943 4.264 1.00 0.00 C ATOM 788 CG PHE A 50 121.498 -16.928 3.506 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.077 -18.100 4.072 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.175 -16.660 2.202 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.345 -18.991 3.345 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.438 -17.545 1.465 1.00 0.00 C ATOM 793 CZ PHE A 50 120.022 -18.714 2.037 1.00 0.00 C ATOM 0 H PHE A 50 124.049 -14.400 4.670 1.00 0.00 H new ATOM 0 HA PHE A 50 123.441 -17.029 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.676 -15.594 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.462 -15.084 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.326 -18.320 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 50 121.507 -15.737 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.018 -19.916 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.187 -17.322 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.440 -19.420 1.463 1.00 0.00 H new ATOM 803 N LYS A 51 125.202 -16.705 2.984 1.00 0.00 N ATOM 804 CA LYS A 51 126.176 -17.408 2.116 1.00 0.00 C ATOM 805 C LYS A 51 127.227 -18.162 2.984 1.00 0.00 C ATOM 806 O LYS A 51 127.835 -19.160 2.553 1.00 0.00 O ATOM 807 CB LYS A 51 126.879 -16.363 1.224 1.00 0.00 C ATOM 808 CG LYS A 51 127.972 -16.896 0.314 1.00 0.00 C ATOM 809 CD LYS A 51 128.704 -15.760 -0.377 1.00 0.00 C ATOM 810 CE LYS A 51 129.812 -16.281 -1.268 1.00 0.00 C ATOM 811 NZ LYS A 51 130.569 -15.190 -1.911 1.00 0.00 N ATOM 0 H LYS A 51 125.173 -15.698 2.827 1.00 0.00 H new ATOM 0 HA LYS A 51 125.657 -18.140 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.125 -15.874 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 51 127.310 -15.596 1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 51 128.678 -17.488 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 51 127.537 -17.561 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.999 -15.179 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 51 129.122 -15.086 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 51 130.493 -16.894 -0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 51 129.385 -16.927 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 131.317 -15.593 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 129.926 -14.619 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.999 -14.588 -1.180 1.00 0.00 H new ATOM 825 N LYS A 52 127.426 -17.673 4.201 1.00 0.00 N ATOM 826 CA LYS A 52 128.336 -18.285 5.177 1.00 0.00 C ATOM 827 C LYS A 52 127.792 -19.623 5.716 1.00 0.00 C ATOM 828 O LYS A 52 128.522 -20.369 6.379 1.00 0.00 O ATOM 829 CB LYS A 52 128.556 -17.350 6.364 1.00 0.00 C ATOM 830 CG LYS A 52 129.238 -16.033 6.047 1.00 0.00 C ATOM 831 CD LYS A 52 129.216 -15.131 7.271 1.00 0.00 C ATOM 832 CE LYS A 52 130.042 -13.870 7.088 1.00 0.00 C ATOM 833 NZ LYS A 52 129.593 -13.013 5.969 1.00 0.00 N ATOM 0 H LYS A 52 126.960 -16.834 4.547 1.00 0.00 H new ATOM 0 HA LYS A 52 129.274 -18.468 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 52 127.589 -17.137 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.151 -17.875 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.267 -16.212 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.733 -15.543 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 52 128.185 -14.855 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.592 -15.685 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.011 -13.291 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 52 131.082 -14.150 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.389 -12.840 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 128.826 -13.489 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 129.247 -12.106 6.343 1.00 0.00 H new ATOM 847 N SER A 53 126.525 -19.920 5.451 1.00 0.00 N ATOM 848 CA SER A 53 125.906 -21.137 5.955 1.00 0.00 C ATOM 849 C SER A 53 126.583 -22.377 5.388 1.00 0.00 C ATOM 850 O SER A 53 126.707 -22.540 4.168 1.00 0.00 O ATOM 851 CB SER A 53 124.416 -21.135 5.667 1.00 0.00 C ATOM 852 OG SER A 53 123.824 -19.936 6.154 1.00 0.00 O ATOM 0 H SER A 53 125.907 -19.334 4.890 1.00 0.00 H new ATOM 0 HA SER A 53 126.039 -21.164 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.245 -21.224 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 53 123.946 -21.999 6.137 1.00 0.00 H new ATOM 0 HG SER A 53 123.699 -19.308 5.412 1.00 0.00 H new ATOM 858 N LYS A 54 127.021 -23.234 6.276 1.00 0.00 N ATOM 859 CA LYS A 54 127.785 -24.410 5.907 1.00 0.00 C ATOM 860 C LYS A 54 126.905 -25.618 5.596 1.00 0.00 C ATOM 861 O LYS A 54 127.415 -26.675 5.211 1.00 0.00 O ATOM 862 CB LYS A 54 128.837 -24.734 7.015 1.00 0.00 C ATOM 863 CG LYS A 54 128.275 -25.007 8.434 1.00 0.00 C ATOM 864 CD LYS A 54 127.638 -26.393 8.566 1.00 0.00 C ATOM 865 CE LYS A 54 126.997 -26.599 9.924 1.00 0.00 C ATOM 866 NZ LYS A 54 126.433 -27.964 10.065 1.00 0.00 N ATOM 0 H LYS A 54 126.860 -23.140 7.279 1.00 0.00 H new ATOM 0 HA LYS A 54 128.309 -24.181 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 54 129.409 -25.606 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.536 -23.900 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 54 129.080 -24.912 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 54 127.533 -24.247 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 54 126.886 -26.522 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.398 -27.158 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 54 127.738 -26.429 10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 54 126.207 -25.862 10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 126.003 -28.067 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 125.708 -28.117 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 127.192 -28.666 9.952 1.00 0.00 H new ATOM 880 N GLY A 55 125.608 -25.469 5.730 1.00 0.00 N ATOM 881 CA GLY A 55 124.743 -26.604 5.575 1.00 0.00 C ATOM 882 C GLY A 55 123.424 -26.224 4.989 1.00 0.00 C ATOM 883 O GLY A 55 122.926 -25.131 5.274 1.00 0.00 O ATOM 0 H GLY A 55 125.139 -24.588 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.225 -27.343 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.587 -27.076 6.545 1.00 0.00 H new ATOM 887 N PRO A 56 122.821 -27.107 4.169 1.00 0.00 N ATOM 888 CA PRO A 56 121.554 -26.830 3.488 1.00 0.00 C ATOM 889 C PRO A 56 120.381 -26.618 4.450 1.00 0.00 C ATOM 890 O PRO A 56 119.445 -25.883 4.141 1.00 0.00 O ATOM 891 CB PRO A 56 121.322 -28.056 2.601 1.00 0.00 C ATOM 892 CG PRO A 56 122.181 -29.127 3.175 1.00 0.00 C ATOM 893 CD PRO A 56 123.346 -28.445 3.826 1.00 0.00 C ATOM 0 HA PRO A 56 121.611 -25.898 2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.272 -28.350 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.592 -27.849 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 56 121.625 -29.721 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 56 122.519 -29.811 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.681 -28.983 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.200 -28.379 3.152 1.00 0.00 H new ATOM 901 N GLN A 57 120.450 -27.228 5.618 1.00 0.00 N ATOM 902 CA GLN A 57 119.402 -27.089 6.618 1.00 0.00 C ATOM 903 C GLN A 57 119.375 -25.666 7.136 1.00 0.00 C ATOM 904 O GLN A 57 118.304 -25.053 7.242 1.00 0.00 O ATOM 905 CB GLN A 57 119.579 -28.076 7.792 1.00 0.00 C ATOM 906 CG GLN A 57 119.435 -29.563 7.437 1.00 0.00 C ATOM 907 CD GLN A 57 120.525 -30.090 6.514 1.00 0.00 C ATOM 908 OE1 GLN A 57 121.668 -29.624 6.540 1.00 0.00 O ATOM 909 NE2 GLN A 57 120.183 -31.026 5.683 1.00 0.00 N ATOM 0 H GLN A 57 121.224 -27.828 5.901 1.00 0.00 H new ATOM 0 HA GLN A 57 118.454 -27.327 6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.565 -27.919 8.229 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.847 -27.832 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 57 119.439 -30.147 8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 57 118.466 -29.720 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 57 119.230 -31.389 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 57 120.867 -31.399 5.025 1.00 0.00 H new ATOM 918 N GLN A 58 120.566 -25.139 7.396 1.00 0.00 N ATOM 919 CA GLN A 58 120.762 -23.784 7.895 1.00 0.00 C ATOM 920 C GLN A 58 120.290 -22.775 6.849 1.00 0.00 C ATOM 921 O GLN A 58 119.769 -21.702 7.186 1.00 0.00 O ATOM 922 CB GLN A 58 122.255 -23.568 8.198 1.00 0.00 C ATOM 923 CG GLN A 58 122.582 -22.313 8.998 1.00 0.00 C ATOM 924 CD GLN A 58 121.951 -22.327 10.379 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.699 -21.177 10.930 1.00 0.00 O flip ATOM 926 NE2 GLN A 58 121.727 -23.384 10.960 1.00 0.00 N flip ATOM 0 H GLN A 58 121.438 -25.651 7.263 1.00 0.00 H new ATOM 0 HA GLN A 58 120.183 -23.642 8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.627 -24.435 8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.799 -23.529 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.664 -22.220 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.235 -21.436 8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 58 121.935 -24.272 10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.333 -23.375 11.901 1.00 0.00 H new ATOM 935 N ILE A 59 120.459 -23.148 5.580 1.00 0.00 N ATOM 936 CA ILE A 59 120.060 -22.321 4.446 1.00 0.00 C ATOM 937 C ILE A 59 118.577 -21.963 4.550 1.00 0.00 C ATOM 938 O ILE A 59 118.217 -20.807 4.497 1.00 0.00 O ATOM 939 CB ILE A 59 120.284 -23.046 3.076 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.733 -23.528 2.903 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.877 -22.161 1.915 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.792 -22.459 2.964 1.00 0.00 C ATOM 0 H ILE A 59 120.879 -24.038 5.311 1.00 0.00 H new ATOM 0 HA ILE A 59 120.682 -21.427 4.479 1.00 0.00 H new ATOM 0 HB ILE A 59 119.644 -23.929 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.945 -24.267 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.814 -24.038 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.044 -22.691 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.821 -21.906 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.473 -21.248 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.774 -22.912 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.618 -21.729 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.751 -21.961 3.933 1.00 0.00 H new ATOM 954 N HIS A 60 117.741 -22.972 4.756 1.00 0.00 N ATOM 955 CA HIS A 60 116.274 -22.786 4.792 1.00 0.00 C ATOM 956 C HIS A 60 115.847 -21.751 5.804 1.00 0.00 C ATOM 957 O HIS A 60 115.169 -20.786 5.468 1.00 0.00 O ATOM 958 CB HIS A 60 115.538 -24.097 5.085 1.00 0.00 C ATOM 959 CG HIS A 60 115.591 -25.093 3.975 1.00 0.00 C ATOM 960 ND1 HIS A 60 116.519 -26.016 3.669 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 114.603 -25.224 3.029 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.085 -26.685 2.565 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 114.926 -26.196 2.191 1.00 0.00 N flip ATOM 0 H HIS A 60 118.043 -23.935 4.902 1.00 0.00 H new ATOM 0 HA HIS A 60 116.003 -22.434 3.797 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.964 -24.547 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.495 -23.873 5.306 1.00 0.00 H new ATOM 0 HD1 HIS A 60 117.390 -26.185 4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 60 113.704 -24.627 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 60 116.611 -27.491 2.075 1.00 0.00 H new ATOM 972 N LEU A 61 116.301 -21.924 7.013 1.00 0.00 N ATOM 973 CA LEU A 61 115.890 -21.091 8.116 1.00 0.00 C ATOM 974 C LEU A 61 116.460 -19.676 8.040 1.00 0.00 C ATOM 975 O LEU A 61 115.782 -18.708 8.399 1.00 0.00 O ATOM 976 CB LEU A 61 116.203 -21.805 9.423 1.00 0.00 C ATOM 977 CG LEU A 61 117.644 -22.246 9.629 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.392 -21.285 10.525 1.00 0.00 C ATOM 979 CD2 LEU A 61 117.700 -23.677 10.140 1.00 0.00 C ATOM 0 H LEU A 61 116.971 -22.650 7.266 1.00 0.00 H new ATOM 0 HA LEU A 61 114.812 -20.941 8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 61 115.927 -21.146 10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 61 115.564 -22.685 9.492 1.00 0.00 H new ATOM 0 HG LEU A 61 118.150 -22.227 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 61 119.418 -21.629 10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.395 -20.293 10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.902 -21.238 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 61 118.740 -23.973 10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 61 117.172 -23.745 11.091 1.00 0.00 H new ATOM 0 HD23 LEU A 61 117.229 -24.341 9.415 1.00 0.00 H new ATOM 991 N LYS A 62 117.681 -19.545 7.550 1.00 0.00 N ATOM 992 CA LYS A 62 118.272 -18.214 7.380 1.00 0.00 C ATOM 993 C LYS A 62 117.686 -17.501 6.174 1.00 0.00 C ATOM 994 O LYS A 62 117.577 -16.268 6.167 1.00 0.00 O ATOM 995 CB LYS A 62 119.798 -18.241 7.309 1.00 0.00 C ATOM 996 CG LYS A 62 120.476 -18.567 8.628 1.00 0.00 C ATOM 997 CD LYS A 62 121.992 -18.604 8.482 1.00 0.00 C ATOM 998 CE LYS A 62 122.618 -17.241 8.137 1.00 0.00 C ATOM 999 NZ LYS A 62 122.501 -16.248 9.232 1.00 0.00 N ATOM 0 H LYS A 62 118.278 -20.322 7.266 1.00 0.00 H new ATOM 0 HA LYS A 62 118.013 -17.650 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.103 -18.977 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.152 -17.270 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.199 -17.822 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.121 -19.531 8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.428 -18.968 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.255 -19.321 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 62 123.671 -17.383 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.137 -16.844 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.239 -15.523 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 121.565 -15.797 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.617 -16.726 10.148 1.00 0.00 H new ATOM 1013 N ALA A 63 117.306 -18.264 5.160 1.00 0.00 N ATOM 1014 CA ALA A 63 116.646 -17.699 4.006 1.00 0.00 C ATOM 1015 C ALA A 63 115.285 -17.191 4.426 1.00 0.00 C ATOM 1016 O ALA A 63 114.919 -16.075 4.108 1.00 0.00 O ATOM 1017 CB ALA A 63 116.527 -18.711 2.881 1.00 0.00 C ATOM 0 H ALA A 63 117.446 -19.274 5.118 1.00 0.00 H new ATOM 0 HA ALA A 63 117.243 -16.872 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.026 -18.251 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.522 -19.041 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.948 -19.569 3.223 1.00 0.00 H new ATOM 1023 N LYS A 64 114.561 -18.021 5.190 1.00 0.00 N ATOM 1024 CA LYS A 64 113.270 -17.644 5.787 1.00 0.00 C ATOM 1025 C LYS A 64 113.389 -16.348 6.562 1.00 0.00 C ATOM 1026 O LYS A 64 112.546 -15.469 6.437 1.00 0.00 O ATOM 1027 CB LYS A 64 112.771 -18.731 6.739 1.00 0.00 C ATOM 1028 CG LYS A 64 112.049 -19.895 6.098 1.00 0.00 C ATOM 1029 CD LYS A 64 110.683 -19.471 5.595 1.00 0.00 C ATOM 1030 CE LYS A 64 109.856 -20.672 5.191 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.489 -20.294 4.795 1.00 0.00 N ATOM 0 H LYS A 64 114.853 -18.973 5.412 1.00 0.00 H new ATOM 0 HA LYS A 64 112.562 -17.518 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 64 113.625 -19.120 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.102 -18.270 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 64 112.641 -20.285 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.940 -20.704 6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.163 -18.912 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.797 -18.801 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 64 110.344 -21.186 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 64 109.811 -21.377 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.957 -21.146 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.013 -19.826 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.530 -19.642 3.986 1.00 0.00 H new ATOM 1045 N ALA A 65 114.458 -16.238 7.335 1.00 0.00 N ATOM 1046 CA ALA A 65 114.717 -15.065 8.145 1.00 0.00 C ATOM 1047 C ALA A 65 114.790 -13.812 7.284 1.00 0.00 C ATOM 1048 O ALA A 65 114.049 -12.874 7.504 1.00 0.00 O ATOM 1049 CB ALA A 65 115.996 -15.238 8.956 1.00 0.00 C ATOM 0 H ALA A 65 115.170 -16.963 7.416 1.00 0.00 H new ATOM 0 HA ALA A 65 113.886 -14.948 8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 65 116.170 -14.345 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.897 -16.103 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.838 -15.390 8.280 1.00 0.00 H new ATOM 1055 N ILE A 66 115.637 -13.832 6.264 1.00 0.00 N ATOM 1056 CA ILE A 66 115.808 -12.672 5.383 1.00 0.00 C ATOM 1057 C ILE A 66 114.532 -12.437 4.561 1.00 0.00 C ATOM 1058 O ILE A 66 114.129 -11.300 4.310 1.00 0.00 O ATOM 1059 CB ILE A 66 117.027 -12.857 4.439 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.293 -13.110 5.261 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.212 -11.630 3.541 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.529 -13.375 4.431 1.00 0.00 C ATOM 0 H ILE A 66 116.218 -14.635 6.022 1.00 0.00 H new ATOM 0 HA ILE A 66 115.995 -11.799 6.008 1.00 0.00 H new ATOM 0 HB ILE A 66 116.841 -13.720 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.476 -12.246 5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.121 -13.962 5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.072 -11.783 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.318 -11.485 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.378 -10.748 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.381 -13.544 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.369 -14.257 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.730 -12.515 3.792 1.00 0.00 H new ATOM 1074 N TYR A 67 113.897 -13.518 4.183 1.00 0.00 N ATOM 1075 CA TYR A 67 112.659 -13.488 3.442 1.00 0.00 C ATOM 1076 C TYR A 67 111.569 -12.747 4.226 1.00 0.00 C ATOM 1077 O TYR A 67 111.077 -11.718 3.790 1.00 0.00 O ATOM 1078 CB TYR A 67 112.215 -14.928 3.141 1.00 0.00 C ATOM 1079 CG TYR A 67 110.889 -15.033 2.466 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.764 -14.801 1.116 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.750 -15.336 3.194 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.549 -14.863 0.503 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.527 -15.411 2.596 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.417 -15.175 1.255 1.00 0.00 C ATOM 1085 OH TYR A 67 107.173 -15.218 0.673 1.00 0.00 O ATOM 0 H TYR A 67 114.231 -14.460 4.385 1.00 0.00 H new ATOM 0 HA TYR A 67 112.819 -12.952 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.968 -15.404 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.179 -15.488 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.642 -14.566 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.832 -15.516 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.463 -14.672 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.651 -15.655 3.179 1.00 0.00 H new ATOM 0 HH TYR A 67 106.504 -15.453 1.349 1.00 0.00 H new ATOM 1095 N GLU A 68 111.265 -13.232 5.406 1.00 0.00 N ATOM 1096 CA GLU A 68 110.158 -12.708 6.198 1.00 0.00 C ATOM 1097 C GLU A 68 110.497 -11.392 6.872 1.00 0.00 C ATOM 1098 O GLU A 68 109.633 -10.736 7.442 1.00 0.00 O ATOM 1099 CB GLU A 68 109.744 -13.718 7.241 1.00 0.00 C ATOM 1100 CG GLU A 68 109.349 -15.060 6.666 1.00 0.00 C ATOM 1101 CD GLU A 68 108.863 -16.018 7.705 1.00 0.00 C ATOM 1102 OE1 GLU A 68 109.653 -16.460 8.557 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.658 -16.350 7.698 1.00 0.00 O ATOM 0 H GLU A 68 111.771 -13.998 5.850 1.00 0.00 H new ATOM 0 HA GLU A 68 109.334 -12.521 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.566 -13.861 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.906 -13.316 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.568 -14.914 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 68 110.205 -15.495 6.150 1.00 0.00 H new ATOM 1110 N LYS A 69 111.741 -11.046 6.854 1.00 0.00 N ATOM 1111 CA LYS A 69 112.192 -9.811 7.449 1.00 0.00 C ATOM 1112 C LYS A 69 112.356 -8.702 6.403 1.00 0.00 C ATOM 1113 O LYS A 69 112.327 -7.520 6.749 1.00 0.00 O ATOM 1114 CB LYS A 69 113.509 -10.057 8.194 1.00 0.00 C ATOM 1115 CG LYS A 69 114.101 -8.864 8.908 1.00 0.00 C ATOM 1116 CD LYS A 69 115.377 -9.252 9.620 1.00 0.00 C ATOM 1117 CE LYS A 69 115.970 -8.079 10.355 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.228 -8.435 11.027 1.00 0.00 N ATOM 0 H LYS A 69 112.481 -11.604 6.429 1.00 0.00 H new ATOM 0 HA LYS A 69 111.434 -9.471 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.347 -10.849 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.243 -10.428 7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.305 -8.068 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.382 -8.469 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.173 -10.059 10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.098 -9.634 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.150 -7.264 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.255 -7.713 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 117.605 -7.602 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.051 -9.195 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 117.919 -8.760 10.321 1.00 0.00 H new ATOM 1132 N PHE A 70 112.468 -9.073 5.135 1.00 0.00 N ATOM 1133 CA PHE A 70 112.768 -8.091 4.095 1.00 0.00 C ATOM 1134 C PHE A 70 111.959 -8.324 2.822 1.00 0.00 C ATOM 1135 O PHE A 70 111.307 -7.422 2.322 1.00 0.00 O ATOM 1136 CB PHE A 70 114.265 -8.108 3.735 1.00 0.00 C ATOM 1137 CG PHE A 70 115.216 -7.651 4.810 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.321 -6.307 5.132 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.017 -8.560 5.482 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.203 -5.881 6.103 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.904 -8.139 6.451 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.996 -6.797 6.763 1.00 0.00 C ATOM 0 H PHE A 70 112.358 -10.031 4.802 1.00 0.00 H new ATOM 0 HA PHE A 70 112.493 -7.121 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.536 -9.124 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.413 -7.479 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.705 -5.585 4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.946 -9.611 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.273 -4.831 6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.525 -8.858 6.965 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.688 -6.465 7.523 1.00 0.00 H new ATOM 1152 N ILE A 71 112.025 -9.539 2.298 1.00 0.00 N ATOM 1153 CA ILE A 71 111.354 -9.909 1.026 1.00 0.00 C ATOM 1154 C ILE A 71 109.835 -9.813 1.170 1.00 0.00 C ATOM 1155 O ILE A 71 109.109 -9.609 0.183 1.00 0.00 O ATOM 1156 CB ILE A 71 111.763 -11.362 0.579 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.275 -11.424 0.404 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.036 -11.868 -0.705 1.00 0.00 C ATOM 1159 CD1 ILE A 71 113.834 -10.357 -0.516 1.00 0.00 C ATOM 0 H ILE A 71 112.540 -10.307 2.729 1.00 0.00 H new ATOM 0 HA ILE A 71 111.678 -9.206 0.259 1.00 0.00 H new ATOM 0 HB ILE A 71 111.440 -12.038 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.748 -11.330 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.545 -12.405 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.376 -12.876 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 71 109.960 -11.879 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.264 -11.203 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 71 114.916 -10.469 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.391 -10.462 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.597 -9.371 -0.116 1.00 0.00 H new ATOM 1171 N GLN A 72 109.386 -9.965 2.405 1.00 0.00 N ATOM 1172 CA GLN A 72 107.991 -9.837 2.775 1.00 0.00 C ATOM 1173 C GLN A 72 107.561 -8.435 2.342 1.00 0.00 C ATOM 1174 O GLN A 72 108.243 -7.463 2.653 1.00 0.00 O ATOM 1175 CB GLN A 72 107.897 -9.971 4.301 1.00 0.00 C ATOM 1176 CG GLN A 72 106.611 -10.562 4.875 1.00 0.00 C ATOM 1177 CD GLN A 72 105.317 -9.816 4.559 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.292 -8.603 4.410 1.00 0.00 O ATOM 1179 NE2 GLN A 72 104.241 -10.543 4.456 1.00 0.00 N ATOM 0 H GLN A 72 109.996 -10.185 3.193 1.00 0.00 H new ATOM 0 HA GLN A 72 107.358 -10.593 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.731 -10.587 4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.037 -8.981 4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.513 -11.584 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 72 106.716 -10.619 5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 72 104.294 -11.553 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 72 103.346 -10.102 4.246 1.00 0.00 H new ATOM 1188 N THR A 73 106.472 -8.352 1.615 1.00 0.00 N ATOM 1189 CA THR A 73 105.983 -7.112 1.034 1.00 0.00 C ATOM 1190 C THR A 73 105.962 -5.916 2.030 1.00 0.00 C ATOM 1191 O THR A 73 106.424 -4.806 1.695 1.00 0.00 O ATOM 1192 CB THR A 73 104.595 -7.336 0.426 1.00 0.00 C ATOM 1193 OG1 THR A 73 104.668 -8.389 -0.571 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.076 -6.057 -0.196 1.00 0.00 C ATOM 0 H THR A 73 105.885 -9.159 1.403 1.00 0.00 H new ATOM 0 HA THR A 73 106.691 -6.832 0.254 1.00 0.00 H new ATOM 0 HB THR A 73 103.904 -7.635 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 73 103.780 -8.534 -0.959 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.089 -6.235 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.007 -5.283 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.758 -5.732 -0.982 1.00 0.00 H new ATOM 1202 N ASP A 74 105.460 -6.140 3.223 1.00 0.00 N ATOM 1203 CA ASP A 74 105.433 -5.098 4.240 1.00 0.00 C ATOM 1204 C ASP A 74 106.576 -5.304 5.169 1.00 0.00 C ATOM 1205 O ASP A 74 107.335 -4.378 5.443 1.00 0.00 O ATOM 1206 CB ASP A 74 104.130 -5.091 5.037 1.00 0.00 C ATOM 1207 CG ASP A 74 102.931 -4.787 4.202 1.00 0.00 C ATOM 1208 OD1 ASP A 74 102.846 -3.681 3.641 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.023 -5.648 4.101 1.00 0.00 O ATOM 0 H ASP A 74 105.064 -7.032 3.519 1.00 0.00 H new ATOM 0 HA ASP A 74 105.508 -4.136 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 74 103.997 -6.063 5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 74 104.205 -4.354 5.836 1.00 0.00 H new ATOM 1214 N ALA A 75 106.678 -6.534 5.665 1.00 0.00 N ATOM 1215 CA ALA A 75 107.772 -6.990 6.539 1.00 0.00 C ATOM 1216 C ALA A 75 107.969 -6.106 7.805 1.00 0.00 C ATOM 1217 O ALA A 75 107.203 -5.174 8.060 1.00 0.00 O ATOM 1218 CB ALA A 75 109.056 -7.050 5.707 1.00 0.00 C ATOM 0 H ALA A 75 105.991 -7.263 5.470 1.00 0.00 H new ATOM 0 HA ALA A 75 107.510 -7.977 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.881 -7.386 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.922 -7.748 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.281 -6.059 5.312 1.00 0.00 H new ATOM 1224 N PRO A 76 108.934 -6.455 8.690 1.00 0.00 N ATOM 1225 CA PRO A 76 109.359 -5.546 9.743 1.00 0.00 C ATOM 1226 C PRO A 76 110.223 -4.423 9.146 1.00 0.00 C ATOM 1227 O PRO A 76 110.346 -3.333 9.725 1.00 0.00 O ATOM 1228 CB PRO A 76 110.197 -6.423 10.672 1.00 0.00 C ATOM 1229 CG PRO A 76 110.658 -7.550 9.828 1.00 0.00 C ATOM 1230 CD PRO A 76 109.569 -7.787 8.829 1.00 0.00 C ATOM 0 HA PRO A 76 108.525 -5.068 10.257 1.00 0.00 H new ATOM 0 HB2 PRO A 76 111.040 -5.868 11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.607 -6.779 11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.597 -7.307 9.331 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.837 -8.441 10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.966 -8.144 7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.859 -8.536 9.179 1.00 0.00 H new ATOM 1238 N LYS A 77 110.807 -4.713 7.990 1.00 0.00 N ATOM 1239 CA LYS A 77 111.636 -3.797 7.227 1.00 0.00 C ATOM 1240 C LYS A 77 111.396 -4.013 5.745 1.00 0.00 C ATOM 1241 O LYS A 77 112.017 -4.876 5.132 1.00 0.00 O ATOM 1242 CB LYS A 77 113.136 -3.989 7.554 1.00 0.00 C ATOM 1243 CG LYS A 77 113.617 -3.447 8.911 1.00 0.00 C ATOM 1244 CD LYS A 77 113.851 -1.924 8.893 1.00 0.00 C ATOM 1245 CE LYS A 77 112.583 -1.111 8.702 1.00 0.00 C ATOM 1246 NZ LYS A 77 112.865 0.328 8.531 1.00 0.00 N ATOM 0 H LYS A 77 110.711 -5.626 7.545 1.00 0.00 H new ATOM 0 HA LYS A 77 111.363 -2.778 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.360 -5.055 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.721 -3.510 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.879 -3.688 9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.543 -3.950 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.324 -1.627 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.550 -1.683 8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 77 112.044 -1.480 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 77 111.930 -1.252 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 111.971 0.844 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 113.356 0.688 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 113.467 0.467 7.694 1.00 0.00 H new ATOM 1260 N GLU A 78 110.443 -3.285 5.198 1.00 0.00 N ATOM 1261 CA GLU A 78 110.100 -3.400 3.791 1.00 0.00 C ATOM 1262 C GLU A 78 111.263 -2.971 2.889 1.00 0.00 C ATOM 1263 O GLU A 78 112.027 -2.037 3.209 1.00 0.00 O ATOM 1264 CB GLU A 78 108.812 -2.608 3.429 1.00 0.00 C ATOM 1265 CG GLU A 78 108.889 -1.069 3.489 1.00 0.00 C ATOM 1266 CD GLU A 78 109.233 -0.500 4.847 1.00 0.00 C ATOM 1267 OE1 GLU A 78 108.461 -0.675 5.791 1.00 0.00 O ATOM 1268 OE2 GLU A 78 110.298 0.156 4.981 1.00 0.00 O ATOM 0 H GLU A 78 109.887 -2.601 5.711 1.00 0.00 H new ATOM 0 HA GLU A 78 109.898 -4.456 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.514 -2.892 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.016 -2.933 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.634 -0.729 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 78 107.930 -0.659 3.172 1.00 0.00 H new ATOM 1275 N VAL A 79 111.396 -3.637 1.789 1.00 0.00 N ATOM 1276 CA VAL A 79 112.440 -3.350 0.840 1.00 0.00 C ATOM 1277 C VAL A 79 111.779 -2.718 -0.374 1.00 0.00 C ATOM 1278 O VAL A 79 110.641 -3.040 -0.687 1.00 0.00 O ATOM 1279 CB VAL A 79 113.168 -4.672 0.392 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.334 -4.396 -0.531 1.00 0.00 C ATOM 1281 CG2 VAL A 79 113.651 -5.478 1.574 1.00 0.00 C ATOM 0 H VAL A 79 110.782 -4.404 1.514 1.00 0.00 H new ATOM 0 HA VAL A 79 113.180 -2.689 1.290 1.00 0.00 H new ATOM 0 HB VAL A 79 112.422 -5.252 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 79 114.805 -5.337 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 79 113.977 -3.886 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.061 -3.765 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.147 -6.382 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.354 -4.883 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 79 112.801 -5.752 2.199 1.00 0.00 H new ATOM 1291 N ASN A 80 112.468 -1.839 -1.066 1.00 0.00 N ATOM 1292 CA ASN A 80 111.940 -1.247 -2.312 1.00 0.00 C ATOM 1293 C ASN A 80 112.180 -2.195 -3.498 1.00 0.00 C ATOM 1294 O ASN A 80 112.317 -1.773 -4.654 1.00 0.00 O ATOM 1295 CB ASN A 80 112.559 0.142 -2.575 1.00 0.00 C ATOM 1296 CG ASN A 80 112.012 1.227 -1.650 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.033 1.904 -1.978 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.609 1.393 -0.500 1.00 0.00 N ATOM 0 H ASN A 80 113.396 -1.507 -0.802 1.00 0.00 H new ATOM 0 HA ASN A 80 110.865 -1.109 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.640 0.080 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.371 0.427 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.268 2.097 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.416 0.818 -0.257 1.00 0.00 H new ATOM 1305 N LEU A 81 112.166 -3.482 -3.190 1.00 0.00 N ATOM 1306 CA LEU A 81 112.363 -4.562 -4.132 1.00 0.00 C ATOM 1307 C LEU A 81 111.130 -4.682 -5.008 1.00 0.00 C ATOM 1308 O LEU A 81 110.004 -4.535 -4.513 1.00 0.00 O ATOM 1309 CB LEU A 81 112.541 -5.873 -3.348 1.00 0.00 C ATOM 1310 CG LEU A 81 112.833 -7.135 -4.157 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.238 -7.103 -4.681 1.00 0.00 C ATOM 1312 CD2 LEU A 81 112.573 -8.394 -3.330 1.00 0.00 C ATOM 0 H LEU A 81 112.010 -3.812 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 81 113.241 -4.367 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.354 -5.733 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.634 -6.046 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 81 112.153 -7.163 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 81 114.433 -8.008 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.367 -6.231 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 81 114.936 -7.046 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 112.790 -9.276 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.215 -8.390 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 81 111.529 -8.415 -3.018 1.00 0.00 H new ATOM 1324 N ASP A 82 111.327 -4.963 -6.280 1.00 0.00 N ATOM 1325 CA ASP A 82 110.218 -5.126 -7.223 1.00 0.00 C ATOM 1326 C ASP A 82 109.387 -6.375 -6.886 1.00 0.00 C ATOM 1327 O ASP A 82 109.738 -7.173 -5.974 1.00 0.00 O ATOM 1328 CB ASP A 82 110.711 -5.196 -8.678 1.00 0.00 C ATOM 1329 CG ASP A 82 111.506 -6.431 -8.970 1.00 0.00 C ATOM 1330 OD1 ASP A 82 112.686 -6.482 -8.627 1.00 0.00 O ATOM 1331 OD2 ASP A 82 110.967 -7.381 -9.548 1.00 0.00 O ATOM 0 H ASP A 82 112.250 -5.086 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 82 109.584 -4.245 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 82 109.853 -5.157 -9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 82 111.322 -4.319 -8.891 1.00 0.00 H new ATOM 1336 N PHE A 83 108.319 -6.574 -7.613 1.00 0.00 N ATOM 1337 CA PHE A 83 107.391 -7.637 -7.322 1.00 0.00 C ATOM 1338 C PHE A 83 107.787 -8.917 -8.050 1.00 0.00 C ATOM 1339 O PHE A 83 107.482 -10.019 -7.593 1.00 0.00 O ATOM 1340 CB PHE A 83 105.965 -7.202 -7.693 1.00 0.00 C ATOM 1341 CG PHE A 83 104.875 -8.103 -7.176 1.00 0.00 C ATOM 1342 CD1 PHE A 83 104.565 -8.124 -5.827 1.00 0.00 C ATOM 1343 CD2 PHE A 83 104.161 -8.918 -8.032 1.00 0.00 C ATOM 1344 CE1 PHE A 83 103.566 -8.942 -5.344 1.00 0.00 C ATOM 1345 CE2 PHE A 83 103.160 -9.737 -7.555 1.00 0.00 C ATOM 1346 CZ PHE A 83 102.861 -9.750 -6.210 1.00 0.00 C ATOM 0 H PHE A 83 108.068 -6.006 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 83 107.419 -7.848 -6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 83 105.796 -6.195 -7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 83 105.888 -7.148 -8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.113 -7.491 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 83 104.389 -8.914 -9.088 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.336 -8.950 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 83 102.610 -10.369 -8.236 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.077 -10.391 -5.836 1.00 0.00 H new ATOM 1356 N HIS A 84 108.510 -8.779 -9.136 1.00 0.00 N ATOM 1357 CA HIS A 84 108.918 -9.930 -9.915 1.00 0.00 C ATOM 1358 C HIS A 84 110.090 -10.655 -9.255 1.00 0.00 C ATOM 1359 O HIS A 84 110.132 -11.883 -9.253 1.00 0.00 O ATOM 1360 CB HIS A 84 109.225 -9.548 -11.377 1.00 0.00 C ATOM 1361 CG HIS A 84 109.717 -10.693 -12.221 1.00 0.00 C ATOM 1362 ND1 HIS A 84 108.915 -11.730 -12.646 1.00 0.00 N ATOM 1363 CD2 HIS A 84 110.950 -10.972 -12.679 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.638 -12.590 -13.322 1.00 0.00 C ATOM 1365 NE2 HIS A 84 110.874 -12.156 -13.359 1.00 0.00 N ATOM 0 H HIS A 84 108.829 -7.882 -9.502 1.00 0.00 H new ATOM 0 HA HIS A 84 108.079 -10.626 -9.941 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.323 -9.137 -11.831 1.00 0.00 H new ATOM 0 HB3 HIS A 84 109.975 -8.757 -11.385 1.00 0.00 H new ATOM 0 HD2 HIS A 84 111.837 -10.372 -12.536 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.276 -13.502 -13.772 1.00 0.00 H new ATOM 0 HE2 HIS A 84 111.653 -12.625 -13.820 1.00 0.00 H new ATOM 1374 N THR A 85 111.028 -9.907 -8.711 1.00 0.00 N ATOM 1375 CA THR A 85 112.138 -10.504 -8.003 1.00 0.00 C ATOM 1376 C THR A 85 111.636 -11.264 -6.791 1.00 0.00 C ATOM 1377 O THR A 85 111.965 -12.433 -6.622 1.00 0.00 O ATOM 1378 CB THR A 85 113.200 -9.465 -7.580 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.724 -8.816 -8.747 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.337 -10.128 -6.811 1.00 0.00 C ATOM 0 H THR A 85 111.043 -8.888 -8.746 1.00 0.00 H new ATOM 0 HA THR A 85 112.624 -11.194 -8.692 1.00 0.00 H new ATOM 0 HB THR A 85 112.726 -8.732 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.683 -7.844 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.071 -9.374 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 85 113.940 -10.606 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 85 114.814 -10.878 -7.442 1.00 0.00 H new ATOM 1388 N LYS A 86 110.776 -10.623 -5.982 1.00 0.00 N ATOM 1389 CA LYS A 86 110.240 -11.292 -4.805 1.00 0.00 C ATOM 1390 C LYS A 86 109.437 -12.512 -5.202 1.00 0.00 C ATOM 1391 O LYS A 86 109.449 -13.494 -4.507 1.00 0.00 O ATOM 1392 CB LYS A 86 109.425 -10.369 -3.877 1.00 0.00 C ATOM 1393 CG LYS A 86 108.177 -9.740 -4.480 1.00 0.00 C ATOM 1394 CD LYS A 86 107.306 -9.076 -3.408 1.00 0.00 C ATOM 1395 CE LYS A 86 108.042 -7.981 -2.641 1.00 0.00 C ATOM 1396 NZ LYS A 86 108.395 -6.820 -3.490 1.00 0.00 N ATOM 0 H LYS A 86 110.449 -9.667 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 86 111.104 -11.607 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.129 -10.942 -2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.079 -9.568 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 86 108.466 -8.999 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.598 -10.504 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 86 106.420 -8.650 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 86 106.960 -9.835 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 86 107.419 -7.643 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.951 -8.397 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.951 -6.140 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 108.956 -7.143 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.526 -6.361 -3.829 1.00 0.00 H new ATOM 1410 N GLU A 87 108.791 -12.443 -6.355 1.00 0.00 N ATOM 1411 CA GLU A 87 108.030 -13.566 -6.895 1.00 0.00 C ATOM 1412 C GLU A 87 108.938 -14.785 -7.047 1.00 0.00 C ATOM 1413 O GLU A 87 108.661 -15.855 -6.513 1.00 0.00 O ATOM 1414 CB GLU A 87 107.474 -13.212 -8.265 1.00 0.00 C ATOM 1415 CG GLU A 87 106.543 -14.251 -8.822 1.00 0.00 C ATOM 1416 CD GLU A 87 105.221 -14.263 -8.106 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.353 -13.441 -8.452 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.019 -15.073 -7.185 1.00 0.00 O ATOM 0 H GLU A 87 108.777 -11.610 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 87 107.213 -13.788 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.946 -12.261 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.303 -13.069 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.379 -14.060 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 87 107.007 -15.234 -8.743 1.00 0.00 H new ATOM 1425 N VAL A 88 110.042 -14.595 -7.726 1.00 0.00 N ATOM 1426 CA VAL A 88 110.977 -15.671 -7.968 1.00 0.00 C ATOM 1427 C VAL A 88 111.604 -16.140 -6.642 1.00 0.00 C ATOM 1428 O VAL A 88 111.849 -17.332 -6.445 1.00 0.00 O ATOM 1429 CB VAL A 88 112.049 -15.259 -9.008 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.988 -16.416 -9.310 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.363 -14.784 -10.290 1.00 0.00 C ATOM 0 H VAL A 88 110.319 -13.698 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 88 110.436 -16.515 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 88 112.643 -14.445 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.731 -16.100 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.491 -16.725 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.417 -17.253 -9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.118 -14.494 -11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.754 -15.591 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.727 -13.927 -10.066 1.00 0.00 H new ATOM 1441 N ILE A 89 111.791 -15.205 -5.719 1.00 0.00 N ATOM 1442 CA ILE A 89 112.269 -15.525 -4.377 1.00 0.00 C ATOM 1443 C ILE A 89 111.264 -16.423 -3.679 1.00 0.00 C ATOM 1444 O ILE A 89 111.626 -17.437 -3.150 1.00 0.00 O ATOM 1445 CB ILE A 89 112.492 -14.255 -3.519 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.559 -13.382 -4.165 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.863 -14.605 -2.062 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.792 -12.083 -3.455 1.00 0.00 C ATOM 0 H ILE A 89 111.618 -14.212 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 89 113.228 -16.032 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 89 111.555 -13.699 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.496 -13.938 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.270 -13.175 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.011 -13.687 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.058 -15.185 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.782 -15.190 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.565 -11.518 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 89 112.868 -11.505 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.113 -12.280 -2.432 1.00 0.00 H new ATOM 1460 N THR A 90 109.987 -16.067 -3.743 1.00 0.00 N ATOM 1461 CA THR A 90 108.950 -16.845 -3.088 1.00 0.00 C ATOM 1462 C THR A 90 108.854 -18.269 -3.686 1.00 0.00 C ATOM 1463 O THR A 90 108.382 -19.199 -3.041 1.00 0.00 O ATOM 1464 CB THR A 90 107.566 -16.128 -3.108 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.089 -15.980 -4.441 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.655 -14.749 -2.460 1.00 0.00 C ATOM 0 H THR A 90 109.648 -15.245 -4.242 1.00 0.00 H new ATOM 0 HA THR A 90 109.240 -16.938 -2.041 1.00 0.00 H new ATOM 0 HB THR A 90 106.872 -16.749 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.813 -16.177 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.676 -14.270 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.979 -14.854 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.373 -14.137 -3.005 1.00 0.00 H new ATOM 1474 N ASN A 91 109.329 -18.425 -4.909 1.00 0.00 N ATOM 1475 CA ASN A 91 109.402 -19.733 -5.544 1.00 0.00 C ATOM 1476 C ASN A 91 110.608 -20.482 -4.999 1.00 0.00 C ATOM 1477 O ASN A 91 110.498 -21.596 -4.498 1.00 0.00 O ATOM 1478 CB ASN A 91 109.562 -19.614 -7.073 1.00 0.00 C ATOM 1479 CG ASN A 91 108.427 -18.906 -7.785 1.00 0.00 C ATOM 1480 OD1 ASN A 91 108.653 -18.229 -8.787 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.213 -19.086 -7.333 1.00 0.00 N ATOM 0 H ASN A 91 109.672 -17.658 -5.487 1.00 0.00 H new ATOM 0 HA ASN A 91 108.474 -20.262 -5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 91 110.490 -19.084 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 91 109.664 -20.615 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 91 106.421 -18.659 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.058 -19.653 -6.499 1.00 0.00 H new ATOM 1488 N SER A 92 111.748 -19.842 -5.051 1.00 0.00 N ATOM 1489 CA SER A 92 113.002 -20.451 -4.667 1.00 0.00 C ATOM 1490 C SER A 92 113.327 -20.263 -3.164 1.00 0.00 C ATOM 1491 O SER A 92 114.467 -20.443 -2.749 1.00 0.00 O ATOM 1492 CB SER A 92 114.105 -19.854 -5.539 1.00 0.00 C ATOM 1493 OG SER A 92 113.785 -20.006 -6.930 1.00 0.00 O ATOM 0 H SER A 92 111.836 -18.875 -5.363 1.00 0.00 H new ATOM 0 HA SER A 92 112.927 -21.527 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 92 114.232 -18.798 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 92 115.054 -20.345 -5.322 1.00 0.00 H new ATOM 0 HG SER A 92 114.501 -19.617 -7.475 1.00 0.00 H new ATOM 1499 N ILE A 93 112.335 -19.921 -2.355 1.00 0.00 N ATOM 1500 CA ILE A 93 112.571 -19.735 -0.924 1.00 0.00 C ATOM 1501 C ILE A 93 112.249 -21.026 -0.167 1.00 0.00 C ATOM 1502 O ILE A 93 112.795 -21.296 0.906 1.00 0.00 O ATOM 1503 CB ILE A 93 111.769 -18.515 -0.343 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.260 -18.150 1.055 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.268 -18.759 -0.329 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.688 -17.654 1.069 1.00 0.00 C ATOM 0 H ILE A 93 111.372 -19.768 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 93 113.627 -19.503 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 93 111.955 -17.675 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.610 -17.381 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.178 -19.023 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.761 -17.886 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.919 -18.936 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 93 110.047 -19.630 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.979 -17.411 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.347 -18.430 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.770 -16.763 0.447 1.00 0.00 H new ATOM 1518 N THR A 94 111.372 -21.831 -0.749 1.00 0.00 N ATOM 1519 CA THR A 94 111.042 -23.132 -0.186 1.00 0.00 C ATOM 1520 C THR A 94 112.244 -24.089 -0.337 1.00 0.00 C ATOM 1521 O THR A 94 112.459 -24.984 0.482 1.00 0.00 O ATOM 1522 CB THR A 94 109.735 -23.728 -0.812 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.398 -24.998 -0.216 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.865 -23.888 -2.320 1.00 0.00 C ATOM 0 H THR A 94 110.876 -21.606 -1.611 1.00 0.00 H new ATOM 0 HA THR A 94 110.836 -23.004 0.877 1.00 0.00 H new ATOM 0 HB THR A 94 108.933 -23.020 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.578 -25.344 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.941 -24.304 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 94 110.054 -22.915 -2.774 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.693 -24.560 -2.545 1.00 0.00 H new ATOM 1532 N GLN A 95 113.054 -23.842 -1.350 1.00 0.00 N ATOM 1533 CA GLN A 95 114.269 -24.590 -1.595 1.00 0.00 C ATOM 1534 C GLN A 95 115.345 -23.592 -1.993 1.00 0.00 C ATOM 1535 O GLN A 95 115.641 -23.417 -3.176 1.00 0.00 O ATOM 1536 CB GLN A 95 114.102 -25.656 -2.691 1.00 0.00 C ATOM 1537 CG GLN A 95 113.049 -26.712 -2.401 1.00 0.00 C ATOM 1538 CD GLN A 95 112.974 -27.793 -3.464 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.259 -27.443 -4.696 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 112.637 -28.947 -3.168 1.00 0.00 N flip ATOM 0 H GLN A 95 112.882 -23.105 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 95 114.540 -25.131 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.848 -25.158 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 95 115.060 -26.152 -2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 95 113.264 -27.174 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 95 112.075 -26.230 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 95 112.423 -29.183 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 95 112.574 -29.662 -3.893 1.00 0.00 H new ATOM 1549 N PRO A 96 115.861 -22.847 -1.019 1.00 0.00 N ATOM 1550 CA PRO A 96 116.844 -21.812 -1.259 1.00 0.00 C ATOM 1551 C PRO A 96 118.258 -22.319 -1.316 1.00 0.00 C ATOM 1552 O PRO A 96 118.597 -23.376 -0.768 1.00 0.00 O ATOM 1553 CB PRO A 96 116.657 -20.894 -0.064 1.00 0.00 C ATOM 1554 CG PRO A 96 116.283 -21.816 1.045 1.00 0.00 C ATOM 1555 CD PRO A 96 115.503 -22.930 0.408 1.00 0.00 C ATOM 0 HA PRO A 96 116.697 -21.337 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.571 -20.345 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.878 -20.154 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.170 -22.199 1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.685 -21.301 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.772 -23.898 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.431 -22.803 0.558 1.00 0.00 H new ATOM 1563 N THR A 97 119.056 -21.577 -1.995 1.00 0.00 N ATOM 1564 CA THR A 97 120.440 -21.823 -2.098 1.00 0.00 C ATOM 1565 C THR A 97 121.141 -20.592 -1.467 1.00 0.00 C ATOM 1566 O THR A 97 120.433 -19.693 -0.980 1.00 0.00 O ATOM 1567 CB THR A 97 120.798 -21.973 -3.589 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.656 -22.543 -4.286 1.00 0.00 O ATOM 1569 CG2 THR A 97 121.945 -22.934 -3.737 1.00 0.00 C ATOM 0 H THR A 97 118.747 -20.753 -2.511 1.00 0.00 H new ATOM 0 HA THR A 97 120.751 -22.734 -1.588 1.00 0.00 H new ATOM 0 HB THR A 97 121.064 -20.998 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.870 -22.642 -5.237 1.00 0.00 H new ATOM 0 HG21 THR A 97 122.197 -23.039 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 97 122.810 -22.555 -3.193 1.00 0.00 H new ATOM 0 HG23 THR A 97 121.660 -23.906 -3.333 1.00 0.00 H new ATOM 1577 N LEU A 98 122.484 -20.532 -1.496 1.00 0.00 N ATOM 1578 CA LEU A 98 123.268 -19.424 -0.873 1.00 0.00 C ATOM 1579 C LEU A 98 122.782 -18.039 -1.248 1.00 0.00 C ATOM 1580 O LEU A 98 122.854 -17.118 -0.453 1.00 0.00 O ATOM 1581 CB LEU A 98 124.754 -19.534 -1.194 1.00 0.00 C ATOM 1582 CG LEU A 98 125.643 -20.214 -0.154 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.162 -21.611 0.185 1.00 0.00 C ATOM 1584 CD2 LEU A 98 127.072 -20.236 -0.645 1.00 0.00 C ATOM 0 H LEU A 98 123.064 -21.240 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 98 123.110 -19.547 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.858 -20.076 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.139 -18.528 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 98 125.588 -19.635 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.825 -22.054 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.150 -21.560 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 98 125.164 -22.225 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.705 -20.721 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 98 127.126 -20.788 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.418 -19.215 -0.804 1.00 0.00 H new ATOM 1596 N HIS A 99 122.344 -17.870 -2.453 1.00 0.00 N ATOM 1597 CA HIS A 99 121.783 -16.620 -2.842 1.00 0.00 C ATOM 1598 C HIS A 99 120.427 -16.806 -3.467 1.00 0.00 C ATOM 1599 O HIS A 99 120.263 -16.700 -4.674 1.00 0.00 O ATOM 1600 CB HIS A 99 122.715 -15.772 -3.735 1.00 0.00 C ATOM 1601 CG HIS A 99 123.972 -15.272 -3.056 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.218 -15.405 -3.605 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.152 -14.584 -1.898 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.104 -14.822 -2.832 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.489 -14.315 -1.791 1.00 0.00 N ATOM 0 H HIS A 99 122.364 -18.582 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 99 121.661 -16.044 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.001 -16.366 -4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.155 -14.914 -4.107 1.00 0.00 H new ATOM 0 HD2 HIS A 99 123.383 -14.302 -1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.166 -14.769 -3.022 1.00 0.00 H new ATOM 0 HE2 HIS A 99 125.934 -13.805 -1.028 1.00 0.00 H new ATOM 1614 N SER A 100 119.452 -17.147 -2.639 1.00 0.00 N ATOM 1615 CA SER A 100 118.059 -17.231 -3.084 1.00 0.00 C ATOM 1616 C SER A 100 117.579 -15.805 -3.421 1.00 0.00 C ATOM 1617 O SER A 100 116.714 -15.570 -4.277 1.00 0.00 O ATOM 1618 CB SER A 100 117.184 -17.870 -1.967 1.00 0.00 C ATOM 1619 OG SER A 100 115.837 -18.028 -2.377 1.00 0.00 O ATOM 0 H SER A 100 119.594 -17.371 -1.654 1.00 0.00 H new ATOM 0 HA SER A 100 117.974 -17.861 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.597 -18.841 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 100 117.221 -17.245 -1.075 1.00 0.00 H new ATOM 0 HG SER A 100 115.620 -18.982 -2.426 1.00 0.00 H new ATOM 1625 N PHE A 101 118.241 -14.859 -2.791 1.00 0.00 N ATOM 1626 CA PHE A 101 117.966 -13.451 -2.931 1.00 0.00 C ATOM 1627 C PHE A 101 118.928 -12.858 -3.963 1.00 0.00 C ATOM 1628 O PHE A 101 119.159 -11.663 -3.972 1.00 0.00 O ATOM 1629 CB PHE A 101 118.199 -12.773 -1.577 1.00 0.00 C ATOM 1630 CG PHE A 101 117.548 -13.485 -0.422 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.239 -13.238 -0.091 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.260 -14.419 0.325 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.644 -13.899 0.961 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.668 -15.081 1.370 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.359 -14.820 1.688 1.00 0.00 C ATOM 0 H PHE A 101 119.008 -15.058 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 101 116.937 -13.296 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.271 -12.707 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 101 117.820 -11.752 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.670 -12.518 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.291 -14.625 0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.615 -13.693 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.230 -15.805 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.890 -15.339 2.511 1.00 0.00 H new ATOM 1645 N ASP A 102 119.454 -13.721 -4.839 1.00 0.00 N ATOM 1646 CA ASP A 102 120.448 -13.360 -5.880 1.00 0.00 C ATOM 1647 C ASP A 102 120.120 -12.067 -6.618 1.00 0.00 C ATOM 1648 O ASP A 102 120.927 -11.135 -6.635 1.00 0.00 O ATOM 1649 CB ASP A 102 120.596 -14.487 -6.898 1.00 0.00 C ATOM 1650 CG ASP A 102 121.605 -14.167 -7.978 1.00 0.00 C ATOM 1651 OD1 ASP A 102 122.806 -14.421 -7.771 1.00 0.00 O ATOM 1652 OD2 ASP A 102 121.211 -13.663 -9.050 1.00 0.00 O ATOM 0 H ASP A 102 119.203 -14.709 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 102 121.385 -13.201 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.898 -15.399 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 102 119.628 -14.686 -7.358 1.00 0.00 H new ATOM 1657 N ALA A 103 118.927 -11.996 -7.158 1.00 0.00 N ATOM 1658 CA ALA A 103 118.514 -10.864 -7.969 1.00 0.00 C ATOM 1659 C ALA A 103 118.116 -9.699 -7.090 1.00 0.00 C ATOM 1660 O ALA A 103 118.258 -8.530 -7.464 1.00 0.00 O ATOM 1661 CB ALA A 103 117.358 -11.262 -8.862 1.00 0.00 C ATOM 0 H ALA A 103 118.213 -12.717 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 103 119.354 -10.556 -8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.054 -10.407 -9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.667 -12.078 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.519 -11.588 -8.247 1.00 0.00 H new ATOM 1667 N ALA A 104 117.652 -10.021 -5.910 1.00 0.00 N ATOM 1668 CA ALA A 104 117.203 -9.026 -4.974 1.00 0.00 C ATOM 1669 C ALA A 104 118.362 -8.206 -4.438 1.00 0.00 C ATOM 1670 O ALA A 104 118.208 -7.012 -4.186 1.00 0.00 O ATOM 1671 CB ALA A 104 116.393 -9.664 -3.873 1.00 0.00 C ATOM 0 H ALA A 104 117.575 -10.980 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 104 116.549 -8.329 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.061 -8.896 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.524 -10.163 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.007 -10.394 -3.346 1.00 0.00 H new ATOM 1677 N GLN A 105 119.526 -8.842 -4.301 1.00 0.00 N ATOM 1678 CA GLN A 105 120.749 -8.149 -3.888 1.00 0.00 C ATOM 1679 C GLN A 105 121.045 -7.060 -4.900 1.00 0.00 C ATOM 1680 O GLN A 105 121.278 -5.914 -4.543 1.00 0.00 O ATOM 1681 CB GLN A 105 121.939 -9.101 -3.871 1.00 0.00 C ATOM 1682 CG GLN A 105 121.745 -10.353 -3.058 1.00 0.00 C ATOM 1683 CD GLN A 105 122.902 -11.295 -3.220 1.00 0.00 C ATOM 1684 OE1 GLN A 105 122.881 -12.031 -4.293 1.00 0.00 O flip ATOM 1685 NE2 GLN A 105 123.840 -11.304 -2.435 1.00 0.00 N flip ATOM 0 H GLN A 105 119.649 -9.840 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 105 120.598 -7.745 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.171 -9.385 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.807 -8.566 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 105 121.631 -10.092 -2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 105 120.824 -10.849 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 105 123.816 -10.711 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 105 124.646 -11.904 -2.610 1.00 0.00 H new ATOM 1694 N SER A 106 120.994 -7.441 -6.171 1.00 0.00 N ATOM 1695 CA SER A 106 121.237 -6.551 -7.279 1.00 0.00 C ATOM 1696 C SER A 106 120.213 -5.409 -7.316 1.00 0.00 C ATOM 1697 O SER A 106 120.579 -4.263 -7.574 1.00 0.00 O ATOM 1698 CB SER A 106 121.225 -7.357 -8.564 1.00 0.00 C ATOM 1699 OG SER A 106 122.172 -8.413 -8.472 1.00 0.00 O ATOM 0 H SER A 106 120.778 -8.396 -6.456 1.00 0.00 H new ATOM 0 HA SER A 106 122.214 -6.083 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.229 -7.762 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.463 -6.714 -9.411 1.00 0.00 H new ATOM 0 HG SER A 106 122.162 -8.934 -9.302 1.00 0.00 H new ATOM 1705 N ARG A 107 118.941 -5.726 -7.033 1.00 0.00 N ATOM 1706 CA ARG A 107 117.893 -4.707 -6.940 1.00 0.00 C ATOM 1707 C ARG A 107 118.236 -3.672 -5.897 1.00 0.00 C ATOM 1708 O ARG A 107 118.256 -2.491 -6.178 1.00 0.00 O ATOM 1709 CB ARG A 107 116.529 -5.313 -6.611 1.00 0.00 C ATOM 1710 CG ARG A 107 115.817 -5.966 -7.773 1.00 0.00 C ATOM 1711 CD ARG A 107 115.536 -4.944 -8.864 1.00 0.00 C ATOM 1712 NE ARG A 107 114.792 -5.514 -9.984 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.103 -5.322 -11.268 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.063 -4.472 -11.580 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.427 -5.937 -12.233 1.00 0.00 N ATOM 0 H ARG A 107 118.617 -6.678 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 107 117.834 -4.234 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.659 -6.054 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 107 115.889 -4.528 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 107 116.427 -6.776 -8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 107 114.882 -6.410 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 107 114.971 -4.113 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 107 116.479 -4.537 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 107 113.982 -6.097 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 107 116.559 -3.970 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 107 116.309 -4.317 -12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 107 113.659 -6.565 -11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.676 -5.780 -13.210 1.00 0.00 H new ATOM 1729 N VAL A 108 118.551 -4.135 -4.717 1.00 0.00 N ATOM 1730 CA VAL A 108 118.880 -3.265 -3.608 1.00 0.00 C ATOM 1731 C VAL A 108 120.151 -2.478 -3.890 1.00 0.00 C ATOM 1732 O VAL A 108 120.204 -1.277 -3.676 1.00 0.00 O ATOM 1733 CB VAL A 108 118.964 -4.073 -2.307 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.365 -3.212 -1.138 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.616 -4.690 -2.052 1.00 0.00 C ATOM 0 H VAL A 108 118.588 -5.129 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 108 118.083 -2.531 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 108 119.729 -4.842 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.413 -3.822 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.343 -2.771 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.630 -2.419 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.650 -5.271 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.868 -3.903 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.352 -5.344 -2.883 1.00 0.00 H new ATOM 1745 N TYR A 109 121.133 -3.154 -4.422 1.00 0.00 N ATOM 1746 CA TYR A 109 122.375 -2.543 -4.854 1.00 0.00 C ATOM 1747 C TYR A 109 122.116 -1.366 -5.812 1.00 0.00 C ATOM 1748 O TYR A 109 122.635 -0.274 -5.605 1.00 0.00 O ATOM 1749 CB TYR A 109 123.270 -3.642 -5.456 1.00 0.00 C ATOM 1750 CG TYR A 109 124.309 -3.234 -6.481 1.00 0.00 C ATOM 1751 CD1 TYR A 109 123.977 -3.178 -7.829 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.615 -2.963 -6.120 1.00 0.00 C ATOM 1753 CE1 TYR A 109 124.907 -2.869 -8.782 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.561 -2.637 -7.071 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.203 -2.596 -8.401 1.00 0.00 C ATOM 1756 OH TYR A 109 127.159 -2.321 -9.357 1.00 0.00 O ATOM 0 H TYR A 109 121.099 -4.162 -4.573 1.00 0.00 H new ATOM 0 HA TYR A 109 122.901 -2.104 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.788 -4.137 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.620 -4.386 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 109 122.961 -3.383 -8.131 1.00 0.00 H new ATOM 0 HD2 TYR A 109 125.900 -3.007 -5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.628 -2.839 -9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.576 -2.415 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 109 127.524 -1.424 -9.206 1.00 0.00 H new ATOM 1766 N GLN A 110 121.275 -1.565 -6.818 1.00 0.00 N ATOM 1767 CA GLN A 110 120.970 -0.480 -7.730 1.00 0.00 C ATOM 1768 C GLN A 110 120.073 0.584 -7.082 1.00 0.00 C ATOM 1769 O GLN A 110 120.172 1.767 -7.441 1.00 0.00 O ATOM 1770 CB GLN A 110 120.416 -0.953 -9.080 1.00 0.00 C ATOM 1771 CG GLN A 110 119.225 -1.874 -8.998 1.00 0.00 C ATOM 1772 CD GLN A 110 118.549 -2.065 -10.329 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.647 -1.315 -10.692 1.00 0.00 O ATOM 1774 NE2 GLN A 110 118.964 -3.050 -11.074 1.00 0.00 N ATOM 0 H GLN A 110 120.803 -2.447 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 110 121.926 -0.007 -7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.139 -0.078 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.212 -1.462 -9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.545 -2.843 -8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.507 -1.471 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 110 119.715 -3.656 -10.745 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.537 -3.215 -11.986 1.00 0.00 H new ATOM 1783 N LEU A 111 119.230 0.163 -6.113 1.00 0.00 N ATOM 1784 CA LEU A 111 118.362 1.080 -5.343 1.00 0.00 C ATOM 1785 C LEU A 111 119.189 2.177 -4.723 1.00 0.00 C ATOM 1786 O LEU A 111 119.067 3.354 -5.099 1.00 0.00 O ATOM 1787 CB LEU A 111 117.602 0.361 -4.203 1.00 0.00 C ATOM 1788 CG LEU A 111 116.534 -0.655 -4.582 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.991 -1.331 -3.329 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.409 0.020 -5.331 1.00 0.00 C ATOM 0 H LEU A 111 119.133 -0.816 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 111 117.636 1.482 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.338 -0.146 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 111 117.131 1.124 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 111 116.983 -1.409 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.227 -2.057 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.803 -1.841 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.554 -0.580 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.653 -0.719 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.961 0.788 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.800 0.479 -6.239 1.00 0.00 H new ATOM 1802 N MET A 112 120.085 1.808 -3.813 1.00 0.00 N ATOM 1803 CA MET A 112 120.871 2.827 -3.173 1.00 0.00 C ATOM 1804 C MET A 112 121.954 3.382 -4.069 1.00 0.00 C ATOM 1805 O MET A 112 122.537 4.378 -3.750 1.00 0.00 O ATOM 1806 CB MET A 112 121.397 2.504 -1.752 1.00 0.00 C ATOM 1807 CG MET A 112 122.283 1.295 -1.594 1.00 0.00 C ATOM 1808 SD MET A 112 121.367 -0.183 -1.218 1.00 0.00 S ATOM 1809 CE MET A 112 122.700 -1.349 -1.053 1.00 0.00 C ATOM 0 H MET A 112 120.272 0.849 -3.519 1.00 0.00 H new ATOM 0 HA MET A 112 120.140 3.617 -2.999 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.947 3.373 -1.392 1.00 0.00 H new ATOM 0 HB3 MET A 112 120.536 2.378 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 112 122.850 1.142 -2.512 1.00 0.00 H new ATOM 0 HG3 MET A 112 123.006 1.481 -0.800 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.335 -2.252 -0.563 1.00 0.00 H new ATOM 0 HE2 MET A 112 123.086 -1.602 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.497 -0.908 -0.454 1.00 0.00 H new ATOM 1819 N GLU A 113 122.221 2.750 -5.195 1.00 0.00 N ATOM 1820 CA GLU A 113 123.139 3.342 -6.145 1.00 0.00 C ATOM 1821 C GLU A 113 122.534 4.638 -6.710 1.00 0.00 C ATOM 1822 O GLU A 113 123.015 5.733 -6.426 1.00 0.00 O ATOM 1823 CB GLU A 113 123.495 2.385 -7.285 1.00 0.00 C ATOM 1824 CG GLU A 113 124.478 2.980 -8.282 1.00 0.00 C ATOM 1825 CD GLU A 113 124.814 2.051 -9.409 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.953 1.831 -10.279 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.949 1.540 -9.467 1.00 0.00 O ATOM 0 H GLU A 113 121.827 1.850 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 113 124.064 3.565 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.920 1.473 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.583 2.100 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.059 3.899 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.395 3.253 -7.759 1.00 0.00 H new ATOM 1834 N GLN A 114 121.439 4.520 -7.431 1.00 0.00 N ATOM 1835 CA GLN A 114 120.849 5.680 -8.077 1.00 0.00 C ATOM 1836 C GLN A 114 120.313 6.719 -7.100 1.00 0.00 C ATOM 1837 O GLN A 114 120.473 7.926 -7.314 1.00 0.00 O ATOM 1838 CB GLN A 114 119.845 5.294 -9.201 1.00 0.00 C ATOM 1839 CG GLN A 114 118.741 4.278 -8.851 1.00 0.00 C ATOM 1840 CD GLN A 114 117.641 4.801 -7.946 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.317 5.991 -7.953 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.036 3.918 -7.202 1.00 0.00 N ATOM 0 H GLN A 114 120.941 3.643 -7.585 1.00 0.00 H new ATOM 0 HA GLN A 114 121.671 6.187 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.363 6.207 -9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.416 4.895 -10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.289 3.924 -9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 114 119.203 3.415 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.333 2.943 -7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.265 4.202 -6.598 1.00 0.00 H new ATOM 1851 N ASP A 115 119.763 6.266 -5.997 1.00 0.00 N ATOM 1852 CA ASP A 115 119.162 7.188 -5.053 1.00 0.00 C ATOM 1853 C ASP A 115 120.160 7.698 -4.021 1.00 0.00 C ATOM 1854 O ASP A 115 120.273 8.896 -3.799 1.00 0.00 O ATOM 1855 CB ASP A 115 117.976 6.541 -4.349 1.00 0.00 C ATOM 1856 CG ASP A 115 117.228 7.512 -3.464 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.382 8.260 -3.981 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.459 7.538 -2.239 1.00 0.00 O ATOM 0 H ASP A 115 119.718 5.282 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 115 118.818 8.046 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.293 6.134 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.328 5.703 -3.747 1.00 0.00 H new ATOM 1863 N SER A 116 120.899 6.805 -3.423 1.00 0.00 N ATOM 1864 CA SER A 116 121.763 7.167 -2.316 1.00 0.00 C ATOM 1865 C SER A 116 123.203 7.530 -2.758 1.00 0.00 C ATOM 1866 O SER A 116 123.711 8.557 -2.356 1.00 0.00 O ATOM 1867 CB SER A 116 121.755 6.037 -1.271 1.00 0.00 C ATOM 1868 OG SER A 116 122.411 6.390 -0.084 1.00 0.00 O ATOM 0 H SER A 116 120.926 5.818 -3.679 1.00 0.00 H new ATOM 0 HA SER A 116 121.364 8.077 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 116 120.724 5.766 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.231 5.153 -1.695 1.00 0.00 H new ATOM 0 HG SER A 116 121.764 6.419 0.651 1.00 0.00 H new ATOM 1874 N TYR A 117 123.813 6.728 -3.643 1.00 0.00 N ATOM 1875 CA TYR A 117 125.231 6.880 -4.058 1.00 0.00 C ATOM 1876 C TYR A 117 125.531 8.256 -4.616 1.00 0.00 C ATOM 1877 O TYR A 117 126.560 8.847 -4.310 1.00 0.00 O ATOM 1878 CB TYR A 117 125.579 5.754 -5.040 1.00 0.00 C ATOM 1879 CG TYR A 117 126.823 5.895 -5.893 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.102 5.808 -5.362 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.694 6.053 -7.264 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.215 5.880 -6.185 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.789 6.134 -8.082 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.045 6.046 -7.548 1.00 0.00 C ATOM 1885 OH TYR A 117 130.134 6.112 -8.382 1.00 0.00 O ATOM 0 H TYR A 117 123.340 5.948 -4.099 1.00 0.00 H new ATOM 0 HA TYR A 117 125.870 6.793 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.674 4.832 -4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.730 5.626 -5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.232 5.683 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.707 6.114 -7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.207 5.807 -5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.661 6.267 -9.146 1.00 0.00 H new ATOM 0 HH TYR A 117 130.954 5.990 -7.859 1.00 0.00 H new ATOM 1895 N THR A 118 124.617 8.770 -5.376 1.00 0.00 N ATOM 1896 CA THR A 118 124.747 10.091 -5.951 1.00 0.00 C ATOM 1897 C THR A 118 124.792 11.181 -4.839 1.00 0.00 C ATOM 1898 O THR A 118 125.660 12.083 -4.834 1.00 0.00 O ATOM 1899 CB THR A 118 123.584 10.314 -6.932 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.356 9.850 -6.316 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.822 9.528 -8.206 1.00 0.00 C ATOM 0 H THR A 118 123.751 8.291 -5.623 1.00 0.00 H new ATOM 0 HA THR A 118 125.688 10.170 -6.496 1.00 0.00 H new ATOM 0 HB THR A 118 123.512 11.375 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.926 9.191 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.993 9.692 -8.895 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.751 9.860 -8.670 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.893 8.466 -7.970 1.00 0.00 H new ATOM 1909 N ARG A 119 123.915 11.035 -3.858 1.00 0.00 N ATOM 1910 CA ARG A 119 123.857 11.959 -2.732 1.00 0.00 C ATOM 1911 C ARG A 119 125.021 11.696 -1.777 1.00 0.00 C ATOM 1912 O ARG A 119 125.481 12.596 -1.082 1.00 0.00 O ATOM 1913 CB ARG A 119 122.504 11.899 -1.987 1.00 0.00 C ATOM 1914 CG ARG A 119 121.309 12.564 -2.694 1.00 0.00 C ATOM 1915 CD ARG A 119 120.970 11.915 -4.020 1.00 0.00 C ATOM 1916 NE ARG A 119 119.787 12.500 -4.663 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.334 12.141 -5.873 1.00 0.00 C ATOM 1918 NH1 ARG A 119 120.003 11.243 -6.589 1.00 0.00 N ATOM 1919 NH2 ARG A 119 118.215 12.659 -6.358 1.00 0.00 N ATOM 0 H ARG A 119 123.229 10.281 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 119 123.945 12.969 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.257 10.852 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.629 12.368 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 119 120.437 12.520 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.532 13.618 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 119 121.824 12.007 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.801 10.850 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 119 119.278 13.225 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 119 120.858 10.829 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.661 10.968 -7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 119 117.688 13.339 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 119 117.881 12.378 -7.280 1.00 0.00 H new ATOM 1933 N PHE A 120 125.476 10.450 -1.735 1.00 0.00 N ATOM 1934 CA PHE A 120 126.666 10.075 -0.993 1.00 0.00 C ATOM 1935 C PHE A 120 127.837 10.833 -1.545 1.00 0.00 C ATOM 1936 O PHE A 120 128.557 11.472 -0.801 1.00 0.00 O ATOM 1937 CB PHE A 120 126.918 8.546 -1.052 1.00 0.00 C ATOM 1938 CG PHE A 120 128.319 8.107 -0.633 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.674 7.952 0.703 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.280 7.851 -1.603 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.965 7.551 1.048 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.551 7.457 -1.258 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.894 7.308 0.064 1.00 0.00 C ATOM 0 H PHE A 120 125.027 9.671 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 120 126.525 10.330 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.190 8.048 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.735 8.202 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.946 8.143 1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.024 7.963 -2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.234 7.432 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.282 7.264 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.894 7.000 0.330 1.00 0.00 H new ATOM 1953 N LEU A 121 127.980 10.811 -2.858 1.00 0.00 N ATOM 1954 CA LEU A 121 129.060 11.508 -3.529 1.00 0.00 C ATOM 1955 C LEU A 121 129.016 13.003 -3.271 1.00 0.00 C ATOM 1956 O LEU A 121 130.030 13.660 -3.322 1.00 0.00 O ATOM 1957 CB LEU A 121 129.072 11.214 -5.028 1.00 0.00 C ATOM 1958 CG LEU A 121 129.339 9.760 -5.414 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.316 9.602 -6.916 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.669 9.286 -4.850 1.00 0.00 C ATOM 0 H LEU A 121 127.352 10.311 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 121 129.990 11.129 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.110 11.511 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.831 11.841 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 121 128.549 9.143 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.508 8.561 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.339 9.897 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.085 10.234 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.837 8.248 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.473 9.907 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.651 9.363 -3.763 1.00 0.00 H new ATOM 1972 N LYS A 122 127.844 13.537 -3.008 1.00 0.00 N ATOM 1973 CA LYS A 122 127.738 14.946 -2.659 1.00 0.00 C ATOM 1974 C LYS A 122 127.615 15.231 -1.164 1.00 0.00 C ATOM 1975 O LYS A 122 127.536 16.404 -0.768 1.00 0.00 O ATOM 1976 CB LYS A 122 126.640 15.654 -3.441 1.00 0.00 C ATOM 1977 CG LYS A 122 127.068 16.051 -4.830 1.00 0.00 C ATOM 1978 CD LYS A 122 128.238 17.018 -4.755 1.00 0.00 C ATOM 1979 CE LYS A 122 128.699 17.471 -6.119 1.00 0.00 C ATOM 1980 NZ LYS A 122 127.665 18.258 -6.838 1.00 0.00 N ATOM 0 H LYS A 122 126.959 13.030 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 122 128.700 15.364 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.770 15.001 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.329 16.544 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 122 127.353 15.166 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.235 16.515 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 122 127.950 17.888 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.068 16.540 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 122 129.601 18.074 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.968 16.599 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 128.079 18.672 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 126.875 17.635 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 127.316 19.019 -6.221 1.00 0.00 H new ATOM 1994 N SER A 123 127.630 14.217 -0.327 1.00 0.00 N ATOM 1995 CA SER A 123 127.512 14.452 1.086 1.00 0.00 C ATOM 1996 C SER A 123 128.850 14.899 1.634 1.00 0.00 C ATOM 1997 O SER A 123 129.905 14.608 1.035 1.00 0.00 O ATOM 1998 CB SER A 123 127.067 13.176 1.801 1.00 0.00 C ATOM 1999 OG SER A 123 128.040 12.139 1.667 1.00 0.00 O ATOM 0 H SER A 123 127.721 13.238 -0.599 1.00 0.00 H new ATOM 0 HA SER A 123 126.766 15.228 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.901 13.388 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.115 12.840 1.390 1.00 0.00 H new ATOM 0 HG SER A 123 128.111 11.876 0.725 1.00 0.00 H new ATOM 2005 N ASP A 124 128.840 15.561 2.782 1.00 0.00 N ATOM 2006 CA ASP A 124 130.097 15.947 3.423 1.00 0.00 C ATOM 2007 C ASP A 124 130.833 14.716 3.903 1.00 0.00 C ATOM 2008 O ASP A 124 131.987 14.790 4.244 1.00 0.00 O ATOM 2009 CB ASP A 124 129.928 16.959 4.570 1.00 0.00 C ATOM 2010 CG ASP A 124 129.565 18.355 4.104 1.00 0.00 C ATOM 2011 OD1 ASP A 124 130.469 19.139 3.734 1.00 0.00 O ATOM 2012 OD2 ASP A 124 128.369 18.709 4.117 1.00 0.00 O ATOM 0 H ASP A 124 127.996 15.839 3.283 1.00 0.00 H new ATOM 0 HA ASP A 124 130.685 16.459 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.154 16.600 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 124 130.856 17.006 5.141 1.00 0.00 H new ATOM 2017 N ILE A 125 130.125 13.579 3.909 1.00 0.00 N ATOM 2018 CA ILE A 125 130.685 12.262 4.184 1.00 0.00 C ATOM 2019 C ILE A 125 131.752 11.940 3.119 1.00 0.00 C ATOM 2020 O ILE A 125 132.954 11.833 3.421 1.00 0.00 O ATOM 2021 CB ILE A 125 129.554 11.144 4.174 1.00 0.00 C ATOM 2022 CG1 ILE A 125 128.687 11.126 5.451 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.061 9.754 3.817 1.00 0.00 C ATOM 2024 CD1 ILE A 125 127.742 12.300 5.595 1.00 0.00 C ATOM 0 H ILE A 125 129.123 13.556 3.717 1.00 0.00 H new ATOM 0 HA ILE A 125 131.137 12.271 5.176 1.00 0.00 H new ATOM 0 HB ILE A 125 128.897 11.446 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 125 128.104 10.205 5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 125 129.345 11.099 6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.230 9.049 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.503 9.773 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.813 9.444 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 125 127.176 12.200 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 125 128.315 13.227 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 125 127.054 12.319 4.750 1.00 0.00 H new ATOM 2036 N TYR A 126 131.325 11.845 1.864 1.00 0.00 N ATOM 2037 CA TYR A 126 132.250 11.536 0.795 1.00 0.00 C ATOM 2038 C TYR A 126 133.241 12.666 0.604 1.00 0.00 C ATOM 2039 O TYR A 126 134.418 12.432 0.358 1.00 0.00 O ATOM 2040 CB TYR A 126 131.528 11.204 -0.503 1.00 0.00 C ATOM 2041 CG TYR A 126 132.455 10.859 -1.636 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.251 9.726 -1.579 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.555 11.678 -2.745 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.114 9.411 -2.595 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.413 11.378 -3.770 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.190 10.247 -3.699 1.00 0.00 C ATOM 2047 OH TYR A 126 135.060 9.964 -4.720 1.00 0.00 O ATOM 0 H TYR A 126 130.357 11.977 1.571 1.00 0.00 H new ATOM 0 HA TYR A 126 132.804 10.643 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.852 10.366 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.912 12.055 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.190 9.079 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.947 12.569 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.727 8.524 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.478 12.028 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 126 135.409 9.055 -4.610 1.00 0.00 H new ATOM 2057 N LEU A 127 132.782 13.886 0.771 1.00 0.00 N ATOM 2058 CA LEU A 127 133.662 15.031 0.668 1.00 0.00 C ATOM 2059 C LEU A 127 134.666 15.099 1.825 1.00 0.00 C ATOM 2060 O LEU A 127 135.687 15.754 1.714 1.00 0.00 O ATOM 2061 CB LEU A 127 132.899 16.357 0.464 1.00 0.00 C ATOM 2062 CG LEU A 127 132.445 16.689 -0.975 1.00 0.00 C ATOM 2063 CD1 LEU A 127 133.631 16.785 -1.921 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.430 15.700 -1.493 1.00 0.00 C ATOM 0 H LEU A 127 131.809 14.112 0.978 1.00 0.00 H new ATOM 0 HA LEU A 127 134.248 14.884 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.016 16.342 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.533 17.171 0.816 1.00 0.00 H new ATOM 0 HG LEU A 127 131.960 17.664 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.277 17.020 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.305 17.571 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 127 134.162 15.833 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.140 15.974 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 127 131.865 14.701 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 127 130.550 15.710 -0.849 1.00 0.00 H new ATOM 2076 N ASP A 128 134.395 14.376 2.906 1.00 0.00 N ATOM 2077 CA ASP A 128 135.329 14.279 4.040 1.00 0.00 C ATOM 2078 C ASP A 128 136.424 13.298 3.670 1.00 0.00 C ATOM 2079 O ASP A 128 137.552 13.405 4.125 1.00 0.00 O ATOM 2080 CB ASP A 128 134.603 13.825 5.325 1.00 0.00 C ATOM 2081 CG ASP A 128 135.463 13.841 6.577 1.00 0.00 C ATOM 2082 OD1 ASP A 128 135.680 14.931 7.152 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.874 12.764 7.049 1.00 0.00 O ATOM 0 H ASP A 128 133.534 13.843 3.028 1.00 0.00 H new ATOM 0 HA ASP A 128 135.758 15.260 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.739 14.470 5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.223 12.815 5.174 1.00 0.00 H new ATOM 2088 N LEU A 129 136.082 12.344 2.813 1.00 0.00 N ATOM 2089 CA LEU A 129 137.079 11.402 2.281 1.00 0.00 C ATOM 2090 C LEU A 129 137.877 12.108 1.185 1.00 0.00 C ATOM 2091 O LEU A 129 139.020 11.760 0.896 1.00 0.00 O ATOM 2092 CB LEU A 129 136.401 10.163 1.679 1.00 0.00 C ATOM 2093 CG LEU A 129 135.267 9.562 2.507 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.514 8.550 1.686 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.804 8.918 3.777 1.00 0.00 C ATOM 0 H LEU A 129 135.133 12.196 2.469 1.00 0.00 H new ATOM 0 HA LEU A 129 137.729 11.081 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.009 10.427 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.159 9.396 1.524 1.00 0.00 H new ATOM 0 HG LEU A 129 134.587 10.364 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.707 8.125 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.097 9.035 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.193 7.755 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 129 134.977 8.497 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.504 8.125 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.316 9.670 4.378 1.00 0.00 H new ATOM 2107 N MET A 130 137.246 13.109 0.583 1.00 0.00 N ATOM 2108 CA MET A 130 137.852 13.891 -0.489 1.00 0.00 C ATOM 2109 C MET A 130 138.776 14.970 0.044 1.00 0.00 C ATOM 2110 O MET A 130 140.009 14.860 -0.036 1.00 0.00 O ATOM 2111 CB MET A 130 136.781 14.558 -1.379 1.00 0.00 C ATOM 2112 CG MET A 130 135.867 13.639 -2.195 1.00 0.00 C ATOM 2113 SD MET A 130 136.713 12.702 -3.485 1.00 0.00 S ATOM 2114 CE MET A 130 137.583 11.454 -2.543 1.00 0.00 C ATOM 0 H MET A 130 136.299 13.402 0.824 1.00 0.00 H new ATOM 0 HA MET A 130 138.434 13.185 -1.082 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.151 15.178 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.289 15.228 -2.072 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.376 12.940 -1.518 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.083 14.241 -2.655 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.654 11.654 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.241 11.475 -1.508 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.385 10.471 -2.971 1.00 0.00 H new