USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 774 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 81 LYS NZ :NH3+ 149:sc= -13.5! (180deg=-15.8!) USER MOD Set 1.2: A 82 TYR OH : rot 133:sc= -9.94! USER MOD Set 1.3: A 93 TYR OH : rot 148:sc= -6.27! USER MOD Set 1.4: A 94 HIS : no HD1:sc= -50.2! C(o=-80!,f=-85!) USER MOD Set 2.1: A 92 GLN : amide:sc= -12.5! C(o=-30!,f=-28!) USER MOD Set 2.2: A 95 GLN : amide:sc= -17.1! C(o=-30!,f=-24!) USER MOD Set 3.1: A 39 SER OG : rot -177:sc= -0.382 USER MOD Set 3.2: A 46 THR OG1 : rot 91:sc= -0.578 USER MOD Set 3.3: A 65 HIS : no HE2:sc= -22.5! C(o=-23!,f=-36!) USER MOD Set 4.1: A 13 ASN : amide:sc= -21.6! C(o=-51!,f=-43!) USER MOD Set 4.2: A 35 MET CE :methyl 172:sc= -29.2! (180deg=-17.9!) USER MOD Set 5.1: A 28 THR OG1 : rot -33:sc= -5.31! USER MOD Set 5.2: A 30 LYS NZ :NH3+ -105:sc= -19.5! (180deg=-25.4!) USER MOD Single : A 8 THR OG1 : rot 5:sc= 1.03 USER MOD Single : A 9 TYR OH : rot 150:sc= -4.44! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.333 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= -2.34! (180deg=-3.65!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -4.12! USER MOD Single : A 44 THR OG1 : rot -88:sc= -3.72! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -19:sc= -18.3! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 16:sc= 0.0739 USER MOD Single : A 62 LYS NZ :NH3+ -125:sc= -2.06! (180deg=-3.91!) USER MOD Single : A 63 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-9.3!) USER MOD Single : A 64 TYR OH : rot 180:sc= -2.55! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -16:sc= -0.951! USER MOD Single : A 86 SER OG : rot 180:sc= -0.25 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.56) USER MOD Single : A 103 THR OG1 : rot 55:sc= -2.18! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -47:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.166 8.245 5.727 1.00 0.00 N ATOM 36 CA LEU A 6 -5.197 7.303 6.276 1.00 0.00 C ATOM 37 C LEU A 6 -3.885 7.993 6.593 1.00 0.00 C ATOM 38 O LEU A 6 -2.877 7.337 6.857 1.00 0.00 O ATOM 39 CB LEU A 6 -4.934 6.171 5.289 1.00 0.00 C ATOM 40 CG LEU A 6 -5.624 6.315 3.942 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.711 5.822 2.835 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.932 5.550 3.954 1.00 0.00 C ATOM 0 HA LEU A 6 -5.619 6.898 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.859 6.097 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.251 5.233 5.744 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.843 7.366 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.214 5.929 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.793 6.410 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.469 4.773 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.424 5.655 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.735 4.496 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.579 5.948 4.736 1.00 0.00 H new ATOM 54 N GLU A 7 -3.894 9.313 6.551 1.00 0.00 N ATOM 55 CA GLU A 7 -2.689 10.079 6.823 1.00 0.00 C ATOM 56 C GLU A 7 -2.183 9.832 8.241 1.00 0.00 C ATOM 57 O GLU A 7 -1.826 10.768 8.955 1.00 0.00 O ATOM 58 CB GLU A 7 -2.941 11.573 6.606 1.00 0.00 C ATOM 59 CG GLU A 7 -4.132 12.108 7.385 1.00 0.00 C ATOM 60 CD GLU A 7 -3.809 13.380 8.143 1.00 0.00 C ATOM 61 OE1 GLU A 7 -2.769 13.411 8.835 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.595 14.346 8.045 1.00 0.00 O ATOM 0 H GLU A 7 -4.717 9.875 6.333 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.920 9.746 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.049 12.129 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.101 11.756 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.955 12.299 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.473 11.348 8.087 1.00 0.00 H new ATOM 69 N THR A 8 -2.153 8.564 8.638 1.00 0.00 N ATOM 70 CA THR A 8 -1.687 8.194 9.967 1.00 0.00 C ATOM 71 C THR A 8 -1.214 6.740 10.019 1.00 0.00 C ATOM 72 O THR A 8 -0.908 6.226 11.094 1.00 0.00 O ATOM 73 CB THR A 8 -2.797 8.414 10.996 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.510 7.725 12.200 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.157 7.953 10.517 1.00 0.00 C ATOM 0 H THR A 8 -2.446 7.777 8.058 1.00 0.00 H new ATOM 0 HA THR A 8 -0.836 8.832 10.205 1.00 0.00 H new ATOM 0 HB THR A 8 -2.831 9.492 11.157 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.617 7.325 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.898 8.138 11.294 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.431 8.502 9.616 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.122 6.886 10.295 1.00 0.00 H new ATOM 83 N TYR A 9 -1.158 6.071 8.865 1.00 0.00 N ATOM 84 CA TYR A 9 -0.723 4.680 8.825 1.00 0.00 C ATOM 85 C TYR A 9 0.765 4.563 8.573 1.00 0.00 C ATOM 86 O TYR A 9 1.302 5.179 7.653 1.00 0.00 O ATOM 87 CB TYR A 9 -1.474 3.915 7.742 1.00 0.00 C ATOM 88 CG TYR A 9 -2.948 3.824 8.026 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.441 2.864 8.895 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.845 4.711 7.442 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.788 2.781 9.176 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.197 4.635 7.722 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.663 3.668 8.588 1.00 0.00 C ATOM 94 OH TYR A 9 -7.008 3.592 8.869 1.00 0.00 O ATOM 0 H TYR A 9 -1.406 6.467 7.958 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.943 4.249 9.802 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.321 4.406 6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.060 2.910 7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.758 2.169 9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.482 5.468 6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.156 2.025 9.854 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.885 5.330 7.264 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.407 4.485 8.803 1.00 0.00 H new ATOM 104 N GLU A 10 1.421 3.736 9.371 1.00 0.00 N ATOM 105 CA GLU A 10 2.841 3.506 9.201 1.00 0.00 C ATOM 106 C GLU A 10 3.127 3.286 7.731 1.00 0.00 C ATOM 107 O GLU A 10 4.273 3.307 7.300 1.00 0.00 O ATOM 108 CB GLU A 10 3.282 2.275 9.981 1.00 0.00 C ATOM 109 CG GLU A 10 2.128 1.363 10.315 1.00 0.00 C ATOM 110 CD GLU A 10 2.547 0.160 11.139 1.00 0.00 C ATOM 111 OE1 GLU A 10 3.690 -0.310 10.965 1.00 0.00 O ATOM 112 OE2 GLU A 10 1.729 -0.311 11.957 1.00 0.00 O ATOM 0 H GLU A 10 0.993 3.217 10.138 1.00 0.00 H new ATOM 0 HA GLU A 10 3.388 4.372 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.020 1.724 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.773 2.588 10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.372 1.927 10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.663 1.020 9.391 1.00 0.00 H new ATOM 119 N TRP A 11 2.062 3.025 6.980 1.00 0.00 N ATOM 120 CA TRP A 11 2.174 2.749 5.562 1.00 0.00 C ATOM 121 C TRP A 11 1.763 3.928 4.685 1.00 0.00 C ATOM 122 O TRP A 11 2.179 4.014 3.533 1.00 0.00 O ATOM 123 CB TRP A 11 1.304 1.550 5.211 1.00 0.00 C ATOM 124 CG TRP A 11 -0.034 1.515 5.913 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.356 0.862 7.075 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.245 2.131 5.462 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.695 1.033 7.357 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.258 1.809 6.382 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.565 2.923 4.367 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.570 2.252 6.228 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.863 3.363 4.214 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.854 3.025 5.139 1.00 0.00 C ATOM 0 H TRP A 11 1.107 3.000 7.338 1.00 0.00 H new ATOM 0 HA TRP A 11 3.227 2.548 5.363 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.135 1.544 4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.850 0.638 5.453 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.337 0.297 7.680 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.186 0.644 8.162 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.808 3.191 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.335 1.993 6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.118 3.979 3.365 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.863 3.381 4.990 1.00 0.00 H new ATOM 143 N TYR A 12 0.920 4.812 5.202 1.00 0.00 N ATOM 144 CA TYR A 12 0.447 5.938 4.405 1.00 0.00 C ATOM 145 C TYR A 12 1.459 7.068 4.285 1.00 0.00 C ATOM 146 O TYR A 12 2.129 7.440 5.249 1.00 0.00 O ATOM 147 CB TYR A 12 -0.853 6.502 4.964 1.00 0.00 C ATOM 148 CG TYR A 12 -1.466 7.531 4.045 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.192 7.139 2.932 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.304 8.891 4.280 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.744 8.071 2.079 1.00 0.00 C ATOM 152 CE2 TYR A 12 -1.854 9.830 3.430 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.574 9.415 2.330 1.00 0.00 C ATOM 154 OH TYR A 12 -3.123 10.346 1.479 1.00 0.00 O ATOM 0 H TYR A 12 0.554 4.774 6.153 1.00 0.00 H new ATOM 0 HA TYR A 12 0.284 5.531 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.562 5.689 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.663 6.953 5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.328 6.087 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.739 9.218 5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.308 7.748 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.721 10.884 3.626 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.911 11.247 1.800 1.00 0.00 H new ATOM 164 N ASN A 13 1.517 7.632 3.082 1.00 0.00 N ATOM 165 CA ASN A 13 2.396 8.762 2.785 1.00 0.00 C ATOM 166 C ASN A 13 1.623 9.819 2.001 1.00 0.00 C ATOM 167 O ASN A 13 0.925 9.500 1.039 1.00 0.00 O ATOM 168 CB ASN A 13 3.621 8.319 1.988 1.00 0.00 C ATOM 169 CG ASN A 13 4.899 8.397 2.801 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.064 9.290 3.633 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.810 7.460 2.564 1.00 0.00 N ATOM 0 H ASN A 13 0.959 7.321 2.287 1.00 0.00 H new ATOM 0 HA ASN A 13 2.743 9.182 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.475 7.296 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.719 8.944 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.689 7.461 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.630 6.739 1.865 1.00 0.00 H new ATOM 178 N LYS A 14 1.733 11.073 2.425 1.00 0.00 N ATOM 179 CA LYS A 14 1.020 12.161 1.764 1.00 0.00 C ATOM 180 C LYS A 14 1.798 12.713 0.569 1.00 0.00 C ATOM 181 O LYS A 14 3.025 12.629 0.514 1.00 0.00 O ATOM 182 CB LYS A 14 0.735 13.284 2.760 1.00 0.00 C ATOM 183 CG LYS A 14 1.986 13.982 3.266 1.00 0.00 C ATOM 184 CD LYS A 14 1.800 14.503 4.682 1.00 0.00 C ATOM 185 CE LYS A 14 0.341 14.820 4.971 1.00 0.00 C ATOM 186 NZ LYS A 14 0.185 16.114 5.689 1.00 0.00 N ATOM 0 H LYS A 14 2.305 11.361 3.219 1.00 0.00 H new ATOM 0 HA LYS A 14 0.080 11.755 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.084 14.020 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.189 12.874 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.826 13.288 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.235 14.810 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.160 13.761 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.403 15.400 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.215 14.856 4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.093 14.019 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.824 16.293 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.694 16.072 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.576 16.883 5.108 1.00 0.00 H new ATOM 200 N SER A 15 1.062 13.290 -0.379 1.00 0.00 N ATOM 201 CA SER A 15 1.651 13.880 -1.581 1.00 0.00 C ATOM 202 C SER A 15 2.804 13.041 -2.126 1.00 0.00 C ATOM 203 O SER A 15 3.629 13.537 -2.894 1.00 0.00 O ATOM 204 CB SER A 15 2.139 15.299 -1.284 1.00 0.00 C ATOM 205 OG SER A 15 2.659 15.395 0.031 1.00 0.00 O ATOM 0 H SER A 15 0.045 13.362 -0.337 1.00 0.00 H new ATOM 0 HA SER A 15 0.873 13.909 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.908 15.581 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.316 16.003 -1.405 1.00 0.00 H new ATOM 0 HG SER A 15 2.966 16.311 0.195 1.00 0.00 H new ATOM 211 N ILE A 16 2.867 11.778 -1.725 1.00 0.00 N ATOM 212 CA ILE A 16 3.926 10.889 -2.172 1.00 0.00 C ATOM 213 C ILE A 16 3.921 10.675 -3.678 1.00 0.00 C ATOM 214 O ILE A 16 2.899 10.826 -4.347 1.00 0.00 O ATOM 215 CB ILE A 16 3.807 9.511 -1.516 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.000 9.259 -0.610 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.712 8.432 -2.586 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.393 7.800 -0.537 1.00 0.00 C ATOM 0 H ILE A 16 2.195 11.348 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 16 4.854 11.381 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 16 2.901 9.482 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.850 9.840 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.769 9.617 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.628 7.455 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.834 8.611 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.607 8.457 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.251 7.687 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.557 7.217 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.655 7.443 -1.533 1.00 0.00 H new ATOM 230 N SER A 17 5.081 10.277 -4.184 1.00 0.00 N ATOM 231 CA SER A 17 5.259 9.975 -5.594 1.00 0.00 C ATOM 232 C SER A 17 5.839 8.572 -5.735 1.00 0.00 C ATOM 233 O SER A 17 6.482 8.069 -4.815 1.00 0.00 O ATOM 234 CB SER A 17 6.180 11.000 -6.253 1.00 0.00 C ATOM 235 OG SER A 17 5.753 11.298 -7.571 1.00 0.00 O ATOM 0 H SER A 17 5.925 10.155 -3.625 1.00 0.00 H new ATOM 0 HA SER A 17 4.292 10.021 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.197 11.913 -5.658 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.200 10.615 -6.276 1.00 0.00 H new ATOM 0 HG SER A 17 6.358 11.958 -7.970 1.00 0.00 H new ATOM 241 N ARG A 18 5.613 7.939 -6.875 1.00 0.00 N ATOM 242 CA ARG A 18 6.126 6.592 -7.099 1.00 0.00 C ATOM 243 C ARG A 18 7.613 6.513 -6.757 1.00 0.00 C ATOM 244 O ARG A 18 8.103 5.475 -6.312 1.00 0.00 O ATOM 245 CB ARG A 18 5.902 6.173 -8.553 1.00 0.00 C ATOM 246 CG ARG A 18 6.006 7.324 -9.540 1.00 0.00 C ATOM 247 CD ARG A 18 7.067 7.058 -10.596 1.00 0.00 C ATOM 248 NE ARG A 18 6.488 6.563 -11.841 1.00 0.00 N ATOM 249 CZ ARG A 18 7.054 5.625 -12.595 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.209 5.085 -12.229 1.00 0.00 N ATOM 251 NH2 ARG A 18 6.466 5.227 -13.714 1.00 0.00 N ATOM 0 H ARG A 18 5.083 8.329 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 18 5.584 5.910 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.633 5.410 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.917 5.716 -8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.041 7.479 -10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.246 8.243 -9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.620 7.976 -10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.783 6.330 -10.215 1.00 0.00 H new ATOM 0 HE ARG A 18 5.600 6.958 -12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.664 5.389 -11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.642 4.366 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.578 5.640 -13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.902 4.507 -14.291 1.00 0.00 H new ATOM 265 N ASP A 19 8.324 7.612 -6.984 1.00 0.00 N ATOM 266 CA ASP A 19 9.759 7.672 -6.717 1.00 0.00 C ATOM 267 C ASP A 19 10.082 7.746 -5.222 1.00 0.00 C ATOM 268 O ASP A 19 10.978 7.051 -4.742 1.00 0.00 O ATOM 269 CB ASP A 19 10.372 8.878 -7.431 1.00 0.00 C ATOM 270 CG ASP A 19 10.193 8.811 -8.936 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.057 8.557 -9.388 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.190 9.014 -9.661 1.00 0.00 O ATOM 0 H ASP A 19 7.930 8.477 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 19 10.190 6.746 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.913 9.792 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.435 8.934 -7.196 1.00 0.00 H new ATOM 277 N LYS A 20 9.376 8.610 -4.494 1.00 0.00 N ATOM 278 CA LYS A 20 9.628 8.785 -3.064 1.00 0.00 C ATOM 279 C LYS A 20 9.297 7.534 -2.260 1.00 0.00 C ATOM 280 O LYS A 20 10.120 7.061 -1.470 1.00 0.00 O ATOM 281 CB LYS A 20 8.830 9.969 -2.520 1.00 0.00 C ATOM 282 CG LYS A 20 8.967 11.227 -3.356 1.00 0.00 C ATOM 283 CD LYS A 20 7.761 11.418 -4.255 1.00 0.00 C ATOM 284 CE LYS A 20 6.817 12.472 -3.699 1.00 0.00 C ATOM 285 NZ LYS A 20 6.644 13.614 -4.639 1.00 0.00 N ATOM 0 H LYS A 20 8.630 9.196 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 20 10.695 8.979 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.777 9.692 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.158 10.181 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.078 12.092 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.871 11.168 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.091 11.712 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.231 10.472 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.847 12.019 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.203 12.840 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.826 14.507 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.314 13.518 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.672 13.616 -5.008 1.00 0.00 H new ATOM 299 N ALA A 21 8.095 6.996 -2.446 1.00 0.00 N ATOM 300 CA ALA A 21 7.703 5.804 -1.707 1.00 0.00 C ATOM 301 C ALA A 21 8.794 4.744 -1.823 1.00 0.00 C ATOM 302 O ALA A 21 9.281 4.227 -0.817 1.00 0.00 O ATOM 303 CB ALA A 21 6.348 5.283 -2.163 1.00 0.00 C ATOM 0 H ALA A 21 7.390 7.358 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 21 7.591 6.065 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.089 4.393 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.591 6.051 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.393 5.031 -3.223 1.00 0.00 H new ATOM 309 N GLU A 22 9.215 4.450 -3.046 1.00 0.00 N ATOM 310 CA GLU A 22 10.287 3.487 -3.250 1.00 0.00 C ATOM 311 C GLU A 22 11.505 3.932 -2.452 1.00 0.00 C ATOM 312 O GLU A 22 12.131 3.139 -1.735 1.00 0.00 O ATOM 313 CB GLU A 22 10.639 3.374 -4.735 1.00 0.00 C ATOM 314 CG GLU A 22 9.526 2.780 -5.582 1.00 0.00 C ATOM 315 CD GLU A 22 10.039 1.781 -6.601 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.156 1.258 -6.409 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.324 1.525 -7.592 1.00 0.00 O ATOM 0 H GLU A 22 8.836 4.858 -3.901 1.00 0.00 H new ATOM 0 HA GLU A 22 9.960 2.505 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.886 4.364 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.533 2.759 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.801 2.290 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.000 3.583 -6.099 1.00 0.00 H new ATOM 324 N LYS A 23 11.815 5.224 -2.557 1.00 0.00 N ATOM 325 CA LYS A 23 12.931 5.803 -1.829 1.00 0.00 C ATOM 326 C LYS A 23 12.762 5.514 -0.347 1.00 0.00 C ATOM 327 O LYS A 23 13.659 4.969 0.296 1.00 0.00 O ATOM 328 CB LYS A 23 13.010 7.312 -2.071 1.00 0.00 C ATOM 329 CG LYS A 23 12.641 8.144 -0.852 1.00 0.00 C ATOM 330 CD LYS A 23 13.687 8.021 0.243 1.00 0.00 C ATOM 331 CE LYS A 23 13.054 8.057 1.625 1.00 0.00 C ATOM 332 NZ LYS A 23 13.061 9.430 2.204 1.00 0.00 N ATOM 0 H LYS A 23 11.305 5.886 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 23 13.860 5.357 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.022 7.569 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.346 7.575 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.537 9.190 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.673 7.821 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.238 7.089 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.409 8.833 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.028 7.694 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.592 7.380 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.621 9.412 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.041 9.767 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.526 10.071 1.584 1.00 0.00 H new ATOM 346 N LEU A 24 11.588 5.851 0.185 1.00 0.00 N ATOM 347 CA LEU A 24 11.302 5.583 1.586 1.00 0.00 C ATOM 348 C LEU A 24 11.405 4.088 1.824 1.00 0.00 C ATOM 349 O LEU A 24 11.982 3.639 2.815 1.00 0.00 O ATOM 350 CB LEU A 24 9.909 6.079 1.975 1.00 0.00 C ATOM 351 CG LEU A 24 8.840 5.938 0.894 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.124 4.595 1.004 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.847 7.086 0.989 1.00 0.00 C ATOM 0 H LEU A 24 10.831 6.304 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 24 12.025 6.116 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.581 5.534 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.981 7.130 2.257 1.00 0.00 H new ATOM 0 HG LEU A 24 9.328 5.976 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.368 4.521 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.846 3.787 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.646 4.517 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.089 6.976 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.369 7.074 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.371 8.032 0.853 1.00 0.00 H new ATOM 365 N LEU A 25 10.861 3.320 0.884 1.00 0.00 N ATOM 366 CA LEU A 25 10.913 1.870 0.969 1.00 0.00 C ATOM 367 C LEU A 25 12.356 1.426 1.133 1.00 0.00 C ATOM 368 O LEU A 25 12.699 0.719 2.079 1.00 0.00 O ATOM 369 CB LEU A 25 10.324 1.235 -0.290 1.00 0.00 C ATOM 370 CG LEU A 25 8.812 0.986 -0.255 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.308 0.953 1.175 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.077 2.035 -1.074 1.00 0.00 C ATOM 0 H LEU A 25 10.381 3.679 0.059 1.00 0.00 H new ATOM 0 HA LEU A 25 10.326 1.548 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.550 1.878 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.828 0.285 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 25 8.612 0.012 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.233 0.775 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.810 0.153 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.519 1.907 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.005 1.841 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.281 3.025 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.417 1.993 -2.109 1.00 0.00 H new ATOM 384 N LEU A 26 13.202 1.859 0.202 1.00 0.00 N ATOM 385 CA LEU A 26 14.617 1.517 0.246 1.00 0.00 C ATOM 386 C LEU A 26 15.203 1.852 1.613 1.00 0.00 C ATOM 387 O LEU A 26 16.179 1.244 2.050 1.00 0.00 O ATOM 388 CB LEU A 26 15.379 2.272 -0.844 1.00 0.00 C ATOM 389 CG LEU A 26 15.216 1.712 -2.259 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.384 0.440 -2.239 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.584 2.751 -3.171 1.00 0.00 C ATOM 0 H LEU A 26 12.932 2.445 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 26 14.717 0.446 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.050 3.311 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.439 2.272 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 26 16.204 1.467 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.280 0.058 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.878 -0.308 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.397 0.657 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.475 2.337 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.603 3.027 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.220 3.635 -3.211 1.00 0.00 H new ATOM 403 N ASP A 27 14.596 2.829 2.282 1.00 0.00 N ATOM 404 CA ASP A 27 15.051 3.255 3.600 1.00 0.00 C ATOM 405 C ASP A 27 14.569 2.297 4.685 1.00 0.00 C ATOM 406 O ASP A 27 15.324 1.947 5.593 1.00 0.00 O ATOM 407 CB ASP A 27 14.555 4.671 3.899 1.00 0.00 C ATOM 408 CG ASP A 27 15.110 5.215 5.200 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.349 5.213 5.365 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.307 5.641 6.056 1.00 0.00 O ATOM 0 H ASP A 27 13.786 3.341 1.931 1.00 0.00 H new ATOM 0 HA ASP A 27 16.141 3.249 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.839 5.333 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.466 4.670 3.944 1.00 0.00 H new ATOM 415 N THR A 28 13.311 1.877 4.589 1.00 0.00 N ATOM 416 CA THR A 28 12.741 0.960 5.572 1.00 0.00 C ATOM 417 C THR A 28 13.402 -0.412 5.469 1.00 0.00 C ATOM 418 O THR A 28 13.956 -0.921 6.442 1.00 0.00 O ATOM 419 CB THR A 28 11.234 0.836 5.359 1.00 0.00 C ATOM 420 OG1 THR A 28 10.949 0.396 4.043 1.00 0.00 O ATOM 421 CG2 THR A 28 10.486 2.127 5.574 1.00 0.00 C ATOM 0 H THR A 28 12.670 2.155 3.846 1.00 0.00 H new ATOM 0 HA THR A 28 12.926 1.359 6.569 1.00 0.00 H new ATOM 0 HB THR A 28 10.901 0.114 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.622 0.752 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.422 1.963 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.643 2.472 6.596 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.852 2.880 4.876 1.00 0.00 H new ATOM 429 N GLY A 29 13.369 -0.986 4.270 1.00 0.00 N ATOM 430 CA GLY A 29 14.002 -2.277 4.041 1.00 0.00 C ATOM 431 C GLY A 29 13.259 -3.468 4.630 1.00 0.00 C ATOM 432 O GLY A 29 13.887 -4.383 5.164 1.00 0.00 O ATOM 0 H GLY A 29 12.915 -0.581 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.108 -2.428 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.008 -2.252 4.460 1.00 0.00 H new ATOM 436 N LYS A 30 11.935 -3.484 4.515 1.00 0.00 N ATOM 437 CA LYS A 30 11.148 -4.610 5.024 1.00 0.00 C ATOM 438 C LYS A 30 10.481 -5.359 3.881 1.00 0.00 C ATOM 439 O LYS A 30 9.801 -4.763 3.046 1.00 0.00 O ATOM 440 CB LYS A 30 10.089 -4.154 6.031 1.00 0.00 C ATOM 441 CG LYS A 30 10.643 -3.261 7.122 1.00 0.00 C ATOM 442 CD LYS A 30 10.746 -1.809 6.688 1.00 0.00 C ATOM 443 CE LYS A 30 10.405 -1.620 5.221 1.00 0.00 C ATOM 444 NZ LYS A 30 9.271 -0.677 5.035 1.00 0.00 N ATOM 0 H LYS A 30 11.387 -2.742 4.080 1.00 0.00 H new ATOM 0 HA LYS A 30 11.839 -5.278 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.300 -3.621 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.630 -5.031 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.004 -3.329 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.629 -3.620 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.075 -1.202 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.758 -1.448 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.280 -1.246 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.152 -2.584 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.413 -1.210 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.110 -0.150 5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.496 -0.010 4.269 1.00 0.00 H new ATOM 458 N GLU A 31 10.688 -6.669 3.844 1.00 0.00 N ATOM 459 CA GLU A 31 10.114 -7.501 2.797 1.00 0.00 C ATOM 460 C GLU A 31 8.726 -7.006 2.428 1.00 0.00 C ATOM 461 O GLU A 31 7.781 -7.131 3.206 1.00 0.00 O ATOM 462 CB GLU A 31 10.045 -8.961 3.249 1.00 0.00 C ATOM 463 CG GLU A 31 8.728 -9.641 2.911 1.00 0.00 C ATOM 464 CD GLU A 31 8.656 -11.063 3.432 1.00 0.00 C ATOM 465 OE1 GLU A 31 9.721 -11.703 3.564 1.00 0.00 O ATOM 466 OE2 GLU A 31 7.534 -11.537 3.710 1.00 0.00 O ATOM 0 H GLU A 31 11.249 -7.177 4.527 1.00 0.00 H new ATOM 0 HA GLU A 31 10.756 -7.436 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.860 -9.515 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.202 -9.007 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.906 -9.062 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.593 -9.647 1.829 1.00 0.00 H new ATOM 473 N GLY A 32 8.614 -6.433 1.239 1.00 0.00 N ATOM 474 CA GLY A 32 7.343 -5.918 0.791 1.00 0.00 C ATOM 475 C GLY A 32 6.961 -4.656 1.529 1.00 0.00 C ATOM 476 O GLY A 32 5.780 -4.334 1.650 1.00 0.00 O ATOM 0 H GLY A 32 9.382 -6.317 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.389 -5.714 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.571 -6.674 0.938 1.00 0.00 H new ATOM 480 N ALA A 33 7.965 -3.929 2.017 1.00 0.00 N ATOM 481 CA ALA A 33 7.709 -2.695 2.733 1.00 0.00 C ATOM 482 C ALA A 33 6.425 -2.085 2.213 1.00 0.00 C ATOM 483 O ALA A 33 6.336 -1.740 1.035 1.00 0.00 O ATOM 484 CB ALA A 33 8.859 -1.729 2.550 1.00 0.00 C ATOM 0 H ALA A 33 8.951 -4.175 1.928 1.00 0.00 H new ATOM 0 HA ALA A 33 7.611 -2.906 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.650 -0.808 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.775 -2.177 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.981 -1.505 1.490 1.00 0.00 H new ATOM 490 N PHE A 34 5.421 -1.988 3.070 1.00 0.00 N ATOM 491 CA PHE A 34 4.138 -1.454 2.647 1.00 0.00 C ATOM 492 C PHE A 34 3.999 0.030 2.900 1.00 0.00 C ATOM 493 O PHE A 34 4.231 0.508 3.999 1.00 0.00 O ATOM 494 CB PHE A 34 2.994 -2.154 3.356 1.00 0.00 C ATOM 495 CG PHE A 34 1.710 -1.389 3.211 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.213 -1.112 1.953 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.006 -0.933 4.313 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.046 -0.401 1.793 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.154 -0.223 4.155 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.639 0.046 2.896 1.00 0.00 C ATOM 0 H PHE A 34 5.468 -2.268 4.050 1.00 0.00 H new ATOM 0 HA PHE A 34 4.095 -1.631 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.870 -3.157 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.234 -2.268 4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.748 -1.459 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.376 -1.139 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.331 -0.195 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.691 0.128 5.024 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.554 0.606 2.776 1.00 0.00 H new ATOM 510 N MET A 35 3.570 0.746 1.875 1.00 0.00 N ATOM 511 CA MET A 35 3.342 2.174 1.985 1.00 0.00 C ATOM 512 C MET A 35 2.124 2.557 1.146 1.00 0.00 C ATOM 513 O MET A 35 1.786 1.859 0.195 1.00 0.00 O ATOM 514 CB MET A 35 4.584 2.942 1.537 1.00 0.00 C ATOM 515 CG MET A 35 4.301 4.008 0.501 1.00 0.00 C ATOM 516 SD MET A 35 3.369 5.381 1.176 1.00 0.00 S ATOM 517 CE MET A 35 4.193 5.554 2.748 1.00 0.00 C ATOM 0 H MET A 35 3.372 0.358 0.953 1.00 0.00 H new ATOM 0 HA MET A 35 3.146 2.436 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.046 3.408 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.309 2.237 1.131 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.243 4.376 0.095 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.747 3.568 -0.328 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.838 6.455 3.248 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.977 4.685 3.370 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.269 5.628 2.589 1.00 0.00 H new ATOM 527 N VAL A 36 1.451 3.646 1.499 1.00 0.00 N ATOM 528 CA VAL A 36 0.272 4.070 0.751 1.00 0.00 C ATOM 529 C VAL A 36 0.440 5.467 0.197 1.00 0.00 C ATOM 530 O VAL A 36 1.153 6.294 0.762 1.00 0.00 O ATOM 531 CB VAL A 36 -1.008 4.022 1.588 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.133 4.752 0.874 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.387 2.583 1.861 1.00 0.00 C ATOM 0 H VAL A 36 1.696 4.245 2.287 1.00 0.00 H new ATOM 0 HA VAL A 36 0.174 3.358 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.832 4.522 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.037 4.710 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.850 5.793 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.320 4.278 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.299 2.554 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.554 2.065 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.581 2.092 2.406 1.00 0.00 H new ATOM 543 N ARG A 37 -0.209 5.719 -0.925 1.00 0.00 N ATOM 544 CA ARG A 37 -0.108 7.009 -1.566 1.00 0.00 C ATOM 545 C ARG A 37 -1.397 7.385 -2.288 1.00 0.00 C ATOM 546 O ARG A 37 -1.838 6.686 -3.200 1.00 0.00 O ATOM 547 CB ARG A 37 1.055 6.973 -2.548 1.00 0.00 C ATOM 548 CG ARG A 37 1.624 5.587 -2.764 1.00 0.00 C ATOM 549 CD ARG A 37 2.226 5.472 -4.148 1.00 0.00 C ATOM 550 NE ARG A 37 3.390 4.593 -4.173 1.00 0.00 N ATOM 551 CZ ARG A 37 4.628 5.020 -4.400 1.00 0.00 C ATOM 552 NH1 ARG A 37 4.862 6.308 -4.610 1.00 0.00 N ATOM 553 NH2 ARG A 37 5.636 4.159 -4.412 1.00 0.00 N ATOM 0 H ARG A 37 -0.808 5.048 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 37 0.064 7.768 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.723 7.374 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.846 7.629 -2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.384 5.378 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.839 4.841 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.473 5.094 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.514 6.463 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 37 3.246 3.597 -4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.091 6.975 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.814 6.632 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.462 3.168 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.586 4.488 -4.586 1.00 0.00 H new ATOM 567 N ASP A 38 -1.992 8.500 -1.876 1.00 0.00 N ATOM 568 CA ASP A 38 -3.224 8.977 -2.488 1.00 0.00 C ATOM 569 C ASP A 38 -3.036 9.170 -3.987 1.00 0.00 C ATOM 570 O ASP A 38 -1.941 9.495 -4.448 1.00 0.00 O ATOM 571 CB ASP A 38 -3.671 10.289 -1.840 1.00 0.00 C ATOM 572 CG ASP A 38 -4.656 11.054 -2.702 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.853 10.696 -2.694 1.00 0.00 O ATOM 574 OD2 ASP A 38 -4.230 12.010 -3.383 1.00 0.00 O ATOM 0 H ASP A 38 -1.640 9.089 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.998 8.227 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.127 10.076 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.798 10.913 -1.650 1.00 0.00 H new ATOM 579 N SER A 39 -4.104 8.959 -4.746 1.00 0.00 N ATOM 580 CA SER A 39 -4.047 9.098 -6.194 1.00 0.00 C ATOM 581 C SER A 39 -5.165 9.996 -6.714 1.00 0.00 C ATOM 582 O SER A 39 -5.159 10.392 -7.879 1.00 0.00 O ATOM 583 CB SER A 39 -4.140 7.722 -6.851 1.00 0.00 C ATOM 584 OG SER A 39 -4.636 7.820 -8.174 1.00 0.00 O ATOM 0 H SER A 39 -5.019 8.691 -4.383 1.00 0.00 H new ATOM 0 HA SER A 39 -3.095 9.564 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.156 7.254 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.793 7.078 -6.262 1.00 0.00 H new ATOM 0 HG SER A 39 -4.731 6.922 -8.555 1.00 0.00 H new ATOM 590 N ARG A 40 -6.129 10.302 -5.853 1.00 0.00 N ATOM 591 CA ARG A 40 -7.257 11.140 -6.245 1.00 0.00 C ATOM 592 C ARG A 40 -8.197 10.363 -7.159 1.00 0.00 C ATOM 593 O ARG A 40 -9.302 10.811 -7.464 1.00 0.00 O ATOM 594 CB ARG A 40 -6.762 12.403 -6.952 1.00 0.00 C ATOM 595 CG ARG A 40 -7.872 13.387 -7.285 1.00 0.00 C ATOM 596 CD ARG A 40 -7.792 14.632 -6.417 1.00 0.00 C ATOM 597 NE ARG A 40 -7.783 14.307 -4.994 1.00 0.00 N ATOM 598 CZ ARG A 40 -8.086 15.178 -4.037 1.00 0.00 C ATOM 599 NH1 ARG A 40 -8.420 16.422 -4.352 1.00 0.00 N ATOM 600 NH2 ARG A 40 -8.056 14.806 -2.764 1.00 0.00 N ATOM 0 H ARG A 40 -6.153 9.985 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.801 11.433 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.026 12.899 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.252 12.118 -7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.806 13.670 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.840 12.906 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.890 15.191 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.640 15.281 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.530 13.358 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.445 16.711 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.652 17.089 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.800 13.850 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.289 15.476 -2.031 1.00 0.00 H new ATOM 614 N THR A 41 -7.743 9.188 -7.584 1.00 0.00 N ATOM 615 CA THR A 41 -8.523 8.322 -8.457 1.00 0.00 C ATOM 616 C THR A 41 -9.959 8.193 -7.939 1.00 0.00 C ATOM 617 O THR A 41 -10.377 8.967 -7.078 1.00 0.00 O ATOM 618 CB THR A 41 -7.837 6.956 -8.545 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.851 6.467 -9.875 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.460 5.904 -7.652 1.00 0.00 C ATOM 0 H THR A 41 -6.828 8.812 -7.334 1.00 0.00 H new ATOM 0 HA THR A 41 -8.576 8.755 -9.456 1.00 0.00 H new ATOM 0 HB THR A 41 -6.817 7.129 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.406 5.594 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.922 4.963 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.404 6.229 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.504 5.761 -7.931 1.00 0.00 H new ATOM 628 N PRO A 42 -10.747 7.231 -8.462 1.00 0.00 N ATOM 629 CA PRO A 42 -12.142 7.026 -8.051 1.00 0.00 C ATOM 630 C PRO A 42 -12.362 7.098 -6.536 1.00 0.00 C ATOM 631 O PRO A 42 -13.448 6.776 -6.053 1.00 0.00 O ATOM 632 CB PRO A 42 -12.481 5.619 -8.572 1.00 0.00 C ATOM 633 CG PRO A 42 -11.224 5.085 -9.180 1.00 0.00 C ATOM 634 CD PRO A 42 -10.368 6.273 -9.505 1.00 0.00 C ATOM 0 HA PRO A 42 -12.777 7.816 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.825 4.976 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.283 5.660 -9.309 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.712 4.416 -8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.443 4.508 -10.078 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.306 6.031 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.571 6.659 -10.504 1.00 0.00 H new ATOM 642 N GLY A 43 -11.349 7.528 -5.789 1.00 0.00 N ATOM 643 CA GLY A 43 -11.495 7.634 -4.348 1.00 0.00 C ATOM 644 C GLY A 43 -10.635 6.652 -3.581 1.00 0.00 C ATOM 645 O GLY A 43 -10.878 6.403 -2.400 1.00 0.00 O ATOM 0 H GLY A 43 -10.436 7.803 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.240 8.647 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.540 7.473 -4.084 1.00 0.00 H new ATOM 649 N THR A 44 -9.633 6.085 -4.242 1.00 0.00 N ATOM 650 CA THR A 44 -8.758 5.121 -3.589 1.00 0.00 C ATOM 651 C THR A 44 -7.404 5.715 -3.236 1.00 0.00 C ATOM 652 O THR A 44 -7.178 6.920 -3.352 1.00 0.00 O ATOM 653 CB THR A 44 -8.533 3.898 -4.469 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.159 3.553 -4.496 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.980 4.073 -5.903 1.00 0.00 C ATOM 0 H THR A 44 -9.408 6.274 -5.219 1.00 0.00 H new ATOM 0 HA THR A 44 -9.265 4.831 -2.669 1.00 0.00 H new ATOM 0 HB THR A 44 -9.143 3.116 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.712 4.047 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.784 3.157 -6.460 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.048 4.291 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.431 4.898 -6.357 1.00 0.00 H new ATOM 663 N TYR A 45 -6.508 4.832 -2.815 1.00 0.00 N ATOM 664 CA TYR A 45 -5.155 5.206 -2.445 1.00 0.00 C ATOM 665 C TYR A 45 -4.151 4.258 -3.084 1.00 0.00 C ATOM 666 O TYR A 45 -4.492 3.133 -3.459 1.00 0.00 O ATOM 667 CB TYR A 45 -4.980 5.175 -0.930 1.00 0.00 C ATOM 668 CG TYR A 45 -6.041 5.929 -0.174 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.355 5.498 -0.188 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.725 7.066 0.553 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.335 6.177 0.506 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.698 7.755 1.253 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.003 7.306 1.226 1.00 0.00 C ATOM 674 OH TYR A 45 -8.976 7.988 1.920 1.00 0.00 O ATOM 0 H TYR A 45 -6.702 3.835 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.978 6.220 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.979 4.137 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.005 5.592 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.618 4.615 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.704 7.419 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.356 5.827 0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.439 8.639 1.817 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.575 8.758 2.374 1.00 0.00 H new ATOM 684 N THR A 46 -2.910 4.705 -3.189 1.00 0.00 N ATOM 685 CA THR A 46 -1.855 3.885 -3.759 1.00 0.00 C ATOM 686 C THR A 46 -1.093 3.186 -2.639 1.00 0.00 C ATOM 687 O THR A 46 -1.006 3.706 -1.529 1.00 0.00 O ATOM 688 CB THR A 46 -0.905 4.736 -4.600 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.628 5.685 -5.363 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.066 3.918 -5.557 1.00 0.00 C ATOM 0 H THR A 46 -2.609 5.632 -2.887 1.00 0.00 H new ATOM 0 HA THR A 46 -2.302 3.135 -4.411 1.00 0.00 H new ATOM 0 HB THR A 46 -0.242 5.227 -3.888 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.721 6.515 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.588 4.580 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.539 3.207 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.719 3.377 -6.242 1.00 0.00 H new ATOM 698 N VAL A 47 -0.551 2.008 -2.919 1.00 0.00 N ATOM 699 CA VAL A 47 0.187 1.268 -1.906 1.00 0.00 C ATOM 700 C VAL A 47 1.600 0.962 -2.355 1.00 0.00 C ATOM 701 O VAL A 47 1.824 0.090 -3.189 1.00 0.00 O ATOM 702 CB VAL A 47 -0.484 -0.063 -1.534 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.509 -0.934 -0.776 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.741 0.171 -0.711 1.00 0.00 C ATOM 0 H VAL A 47 -0.607 1.549 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 47 0.199 1.920 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.784 -0.577 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.035 -1.879 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.378 -1.127 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.826 -0.420 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.196 -0.787 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.482 0.700 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.447 0.769 -1.287 1.00 0.00 H new ATOM 714 N SER A 48 2.552 1.657 -1.771 1.00 0.00 N ATOM 715 CA SER A 48 3.945 1.427 -2.091 1.00 0.00 C ATOM 716 C SER A 48 4.462 0.230 -1.303 1.00 0.00 C ATOM 717 O SER A 48 4.604 0.291 -0.078 1.00 0.00 O ATOM 718 CB SER A 48 4.794 2.666 -1.789 1.00 0.00 C ATOM 719 OG SER A 48 5.639 2.446 -0.675 1.00 0.00 O ATOM 0 H SER A 48 2.388 2.384 -1.074 1.00 0.00 H new ATOM 0 HA SER A 48 4.023 1.219 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.396 2.919 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.143 3.518 -1.593 1.00 0.00 H new ATOM 0 HG SER A 48 5.304 1.685 -0.156 1.00 0.00 H new ATOM 725 N VAL A 49 4.740 -0.855 -2.016 1.00 0.00 N ATOM 726 CA VAL A 49 5.253 -2.069 -1.398 1.00 0.00 C ATOM 727 C VAL A 49 6.701 -2.263 -1.824 1.00 0.00 C ATOM 728 O VAL A 49 7.031 -2.123 -3.008 1.00 0.00 O ATOM 729 CB VAL A 49 4.420 -3.301 -1.781 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.970 -3.124 -1.346 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.511 -3.554 -3.274 1.00 0.00 C ATOM 0 H VAL A 49 4.618 -0.917 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 49 5.189 -1.960 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 49 4.823 -4.170 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.396 -4.007 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.928 -2.992 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.548 -2.246 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.916 -4.430 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.132 -2.686 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.551 -3.728 -3.551 1.00 0.00 H new ATOM 741 N PHE A 50 7.576 -2.520 -0.855 1.00 0.00 N ATOM 742 CA PHE A 50 9.002 -2.651 -1.151 1.00 0.00 C ATOM 743 C PHE A 50 9.633 -3.959 -0.687 1.00 0.00 C ATOM 744 O PHE A 50 9.428 -4.409 0.441 1.00 0.00 O ATOM 745 CB PHE A 50 9.759 -1.486 -0.533 1.00 0.00 C ATOM 746 CG PHE A 50 11.136 -1.833 -0.053 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.329 -2.746 0.976 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.243 -1.231 -0.627 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.602 -3.046 1.417 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.514 -1.530 -0.190 1.00 0.00 C ATOM 751 CZ PHE A 50 13.694 -2.436 0.833 1.00 0.00 C ATOM 0 H PHE A 50 7.329 -2.640 0.127 1.00 0.00 H new ATOM 0 HA PHE A 50 9.078 -2.648 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.834 -0.685 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.182 -1.096 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.476 -3.225 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.108 -0.518 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.744 -3.757 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.369 -1.055 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.691 -2.669 1.178 1.00 0.00 H new ATOM 761 N THR A 51 10.439 -4.530 -1.578 1.00 0.00 N ATOM 762 CA THR A 51 11.169 -5.758 -1.304 1.00 0.00 C ATOM 763 C THR A 51 12.648 -5.443 -1.095 1.00 0.00 C ATOM 764 O THR A 51 13.342 -5.076 -2.040 1.00 0.00 O ATOM 765 CB THR A 51 11.025 -6.729 -2.474 1.00 0.00 C ATOM 766 OG1 THR A 51 9.924 -7.598 -2.278 1.00 0.00 O ATOM 767 CG2 THR A 51 12.257 -7.580 -2.689 1.00 0.00 C ATOM 0 H THR A 51 10.603 -4.151 -2.511 1.00 0.00 H new ATOM 0 HA THR A 51 10.758 -6.215 -0.404 1.00 0.00 H new ATOM 0 HB THR A 51 10.873 -6.105 -3.355 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.850 -8.210 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.094 -8.249 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.112 -6.937 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.454 -8.168 -1.793 1.00 0.00 H new ATOM 899 N CYS A 60 12.599 -5.751 -5.500 1.00 0.00 N ATOM 900 CA CYS A 60 11.611 -5.050 -6.313 1.00 0.00 C ATOM 901 C CYS A 60 10.587 -4.287 -5.475 1.00 0.00 C ATOM 902 O CYS A 60 10.052 -4.811 -4.499 1.00 0.00 O ATOM 903 CB CYS A 60 10.881 -6.044 -7.217 1.00 0.00 C ATOM 904 SG CYS A 60 11.902 -7.436 -7.759 1.00 0.00 S ATOM 0 HA CYS A 60 12.156 -4.319 -6.910 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.011 -6.430 -6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.510 -5.516 -8.095 1.00 0.00 H new ATOM 0 HG CYS A 60 12.968 -7.506 -7.018 1.00 0.00 H new ATOM 910 N ILE A 61 10.283 -3.065 -5.902 1.00 0.00 N ATOM 911 CA ILE A 61 9.277 -2.245 -5.236 1.00 0.00 C ATOM 912 C ILE A 61 8.074 -2.108 -6.143 1.00 0.00 C ATOM 913 O ILE A 61 8.211 -2.120 -7.367 1.00 0.00 O ATOM 914 CB ILE A 61 9.773 -0.826 -4.898 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.616 -0.839 -3.624 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.580 0.120 -4.746 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.999 -1.415 -3.825 1.00 0.00 C ATOM 0 H ILE A 61 10.721 -2.620 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 61 9.035 -2.748 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 61 10.402 -0.470 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.706 0.180 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.097 -1.418 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.938 1.121 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.017 0.149 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.934 -0.235 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.543 -1.394 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.917 -2.445 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.536 -0.823 -4.566 1.00 0.00 H new ATOM 929 N LYS A 62 6.900 -1.966 -5.561 1.00 0.00 N ATOM 930 CA LYS A 62 5.700 -1.815 -6.368 1.00 0.00 C ATOM 931 C LYS A 62 4.616 -1.094 -5.596 1.00 0.00 C ATOM 932 O LYS A 62 4.415 -1.333 -4.405 1.00 0.00 O ATOM 933 CB LYS A 62 5.209 -3.171 -6.871 1.00 0.00 C ATOM 934 CG LYS A 62 4.764 -4.117 -5.774 1.00 0.00 C ATOM 935 CD LYS A 62 4.480 -5.506 -6.322 1.00 0.00 C ATOM 936 CE LYS A 62 4.030 -5.449 -7.773 1.00 0.00 C ATOM 937 NZ LYS A 62 2.867 -4.537 -7.958 1.00 0.00 N ATOM 0 H LYS A 62 6.749 -1.952 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 62 5.951 -1.206 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.377 -3.012 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.007 -3.645 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.537 -4.177 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.868 -3.724 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.376 -6.121 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.709 -5.986 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.858 -5.113 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.763 -6.451 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.091 -5.053 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.548 -4.189 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.149 -3.731 -8.552 1.00 0.00 H new ATOM 951 N HIS A 63 3.935 -0.191 -6.281 1.00 0.00 N ATOM 952 CA HIS A 63 2.886 0.589 -5.659 1.00 0.00 C ATOM 953 C HIS A 63 1.503 0.023 -5.984 1.00 0.00 C ATOM 954 O HIS A 63 0.994 0.204 -7.089 1.00 0.00 O ATOM 955 CB HIS A 63 2.983 2.035 -6.130 1.00 0.00 C ATOM 956 CG HIS A 63 4.337 2.384 -6.661 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.508 2.164 -5.971 1.00 0.00 N ATOM 958 CD2 HIS A 63 4.700 2.937 -7.846 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.521 2.583 -6.736 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.086 3.061 -7.886 1.00 0.00 N ATOM 0 H HIS A 63 4.092 0.018 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 63 3.018 0.544 -4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.238 2.210 -6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.741 2.699 -5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.022 3.234 -8.632 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.561 2.536 -6.450 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.648 3.442 -8.647 1.00 0.00 H new ATOM 968 N TYR A 64 0.901 -0.652 -5.012 1.00 0.00 N ATOM 969 CA TYR A 64 -0.425 -1.234 -5.185 1.00 0.00 C ATOM 970 C TYR A 64 -1.506 -0.190 -4.978 1.00 0.00 C ATOM 971 O TYR A 64 -1.611 0.391 -3.899 1.00 0.00 O ATOM 972 CB TYR A 64 -0.641 -2.364 -4.188 1.00 0.00 C ATOM 973 CG TYR A 64 0.094 -3.617 -4.559 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.451 -3.727 -4.326 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.565 -4.682 -5.150 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.140 -4.871 -4.669 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.111 -5.831 -5.498 1.00 0.00 C ATOM 978 CZ TYR A 64 1.465 -5.923 -5.255 1.00 0.00 C ATOM 979 OH TYR A 64 2.146 -7.068 -5.599 1.00 0.00 O ATOM 0 H TYR A 64 1.312 -0.810 -4.092 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.486 -1.620 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.316 -2.037 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.707 -2.581 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.980 -2.904 -3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.626 -4.611 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.201 -4.944 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.416 -6.654 -5.958 1.00 0.00 H new ATOM 0 HH TYR A 64 1.524 -7.711 -5.999 1.00 0.00 H new ATOM 989 N HIS A 65 -2.329 0.035 -5.991 1.00 0.00 N ATOM 990 CA HIS A 65 -3.403 0.995 -5.848 1.00 0.00 C ATOM 991 C HIS A 65 -4.635 0.314 -5.308 1.00 0.00 C ATOM 992 O HIS A 65 -4.917 -0.838 -5.642 1.00 0.00 O ATOM 993 CB HIS A 65 -3.746 1.697 -7.156 1.00 0.00 C ATOM 994 CG HIS A 65 -3.995 3.143 -6.950 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.944 3.743 -5.722 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.304 4.116 -7.834 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.218 5.034 -5.885 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.445 5.320 -7.152 1.00 0.00 N ATOM 0 H HIS A 65 -2.274 -0.424 -6.900 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.053 1.756 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.929 1.565 -7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.629 1.234 -7.597 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.733 3.282 -4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.423 3.981 -8.899 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.250 5.756 -5.082 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.373 1.023 -4.478 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.577 0.458 -3.912 1.00 0.00 C ATOM 1008 C ILE A 66 -7.757 0.720 -4.830 1.00 0.00 C ATOM 1009 O ILE A 66 -8.267 1.828 -4.901 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.875 1.032 -2.511 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.579 1.424 -1.801 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.640 0.021 -1.674 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.375 0.626 -2.252 1.00 0.00 C ATOM 0 H ILE A 66 -5.163 1.977 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.419 -0.616 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.489 1.924 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.387 2.483 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.709 1.293 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.842 0.442 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.583 -0.220 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.045 -0.886 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.492 0.959 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.546 -0.432 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.218 0.776 -3.320 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.197 -0.313 -5.526 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.328 -0.182 -6.422 1.00 0.00 C ATOM 1027 C LYS A 67 -10.596 -0.047 -5.597 1.00 0.00 C ATOM 1028 O LYS A 67 -10.735 -0.713 -4.573 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.419 -1.388 -7.356 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.288 -1.146 -8.580 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.468 -1.168 -9.859 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.815 0.179 -10.126 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.430 0.242 -9.584 1.00 0.00 N ATOM 0 H LYS A 67 -7.789 -1.247 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.200 0.706 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.415 -1.661 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.816 -2.238 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.065 -1.908 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.791 -0.184 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.700 -1.938 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.109 -1.435 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.793 0.365 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.417 0.969 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.020 1.176 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.452 0.090 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.849 -0.496 -10.031 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.502 0.825 -6.032 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.748 1.059 -5.309 1.00 0.00 C ATOM 1049 C GLU A 68 -13.949 0.611 -6.136 1.00 0.00 C ATOM 1050 O GLU A 68 -14.015 0.867 -7.338 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.880 2.548 -4.968 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.830 3.046 -3.987 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.346 4.161 -3.099 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.376 4.773 -3.451 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.721 4.421 -2.049 1.00 0.00 O ATOM 0 H GLU A 68 -11.396 1.381 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.726 0.475 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.811 3.130 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.870 2.730 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.496 2.216 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.960 3.400 -4.540 1.00 0.00 H new ATOM 1062 N THR A 69 -14.898 -0.065 -5.487 1.00 0.00 N ATOM 1063 CA THR A 69 -16.088 -0.546 -6.176 1.00 0.00 C ATOM 1064 C THR A 69 -17.350 -0.148 -5.423 1.00 0.00 C ATOM 1065 O THR A 69 -17.316 0.712 -4.541 1.00 0.00 O ATOM 1066 CB THR A 69 -16.032 -2.066 -6.332 1.00 0.00 C ATOM 1067 OG1 THR A 69 -17.220 -2.665 -5.847 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.867 -2.699 -5.601 1.00 0.00 C ATOM 0 H THR A 69 -14.863 -0.289 -4.492 1.00 0.00 H new ATOM 0 HA THR A 69 -16.116 -0.087 -7.164 1.00 0.00 H new ATOM 0 HB THR A 69 -15.910 -2.242 -7.401 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.165 -3.637 -5.957 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.886 -3.778 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.932 -2.294 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.944 -2.481 -4.536 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.657 -3.352 1.077 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.513 -3.505 0.183 1.00 0.00 C ATOM 1129 C LYS A 74 -16.546 -2.488 -0.942 1.00 0.00 C ATOM 1130 O LYS A 74 -17.608 -2.124 -1.447 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.476 -4.922 -0.393 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.520 -5.851 0.338 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.268 -6.930 1.103 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.895 -7.946 0.162 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.439 -9.332 0.456 1.00 0.00 N ATOM 0 HA LYS A 74 -15.610 -3.331 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.480 -5.346 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.188 -4.871 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.843 -6.315 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.906 -5.273 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.583 -7.436 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.045 -6.472 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.981 -7.896 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.642 -7.692 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.890 -9.994 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.406 -9.387 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.703 -9.585 1.430 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.364 -2.034 -1.325 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.229 -1.061 -2.391 1.00 0.00 C ATOM 1151 C ARG A 75 -13.797 -1.016 -2.901 1.00 0.00 C ATOM 1152 O ARG A 75 -13.554 -1.056 -4.105 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.637 0.327 -1.899 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.606 0.471 -0.387 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.795 1.273 0.122 1.00 0.00 C ATOM 1156 NE ARG A 75 -18.050 0.830 -0.477 1.00 0.00 N ATOM 1157 CZ ARG A 75 -19.245 1.258 -0.084 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -19.344 2.137 0.906 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -20.342 0.810 -0.678 1.00 0.00 N ATOM 0 H ARG A 75 -14.480 -2.327 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.886 -1.362 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.972 1.069 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.643 0.548 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.608 -0.517 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.680 0.961 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.858 1.180 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.641 2.329 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.007 0.154 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.502 2.484 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.262 2.465 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.270 0.135 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -21.258 1.140 -0.374 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.851 -0.899 -1.977 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.447 -0.803 -2.342 1.00 0.00 C ATOM 1175 C TYR A 76 -10.758 -2.165 -2.372 1.00 0.00 C ATOM 1176 O TYR A 76 -11.110 -3.071 -1.618 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.740 0.134 -1.372 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.593 1.319 -1.011 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.768 1.570 -1.704 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.239 2.176 0.017 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.569 2.640 -1.385 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.038 3.254 0.349 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.204 3.482 -0.356 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.002 4.555 -0.031 1.00 0.00 O ATOM 0 H TYR A 76 -13.032 -0.869 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.389 -0.403 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.477 -0.413 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.807 0.481 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.059 0.912 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.326 2.000 0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.479 2.820 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.752 3.914 1.155 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.602 5.046 0.717 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.766 -2.284 -3.251 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.992 -3.524 -3.404 1.00 0.00 C ATOM 1196 C TYR A 77 -7.790 -3.300 -4.320 1.00 0.00 C ATOM 1197 O TYR A 77 -7.779 -2.367 -5.112 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.862 -4.646 -3.976 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.250 -4.435 -5.419 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.224 -3.504 -5.752 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.642 -5.155 -6.451 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.591 -3.290 -7.064 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.006 -4.939 -7.769 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.979 -4.008 -8.069 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.341 -3.795 -9.379 1.00 0.00 O ATOM 0 H TYR A 77 -9.474 -1.532 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.641 -3.817 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.326 -5.591 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.767 -4.735 -3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.704 -2.936 -4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.882 -5.886 -6.218 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.354 -2.564 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.529 -5.498 -8.561 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.194 -3.314 -9.409 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.784 -4.166 -4.229 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.604 -4.031 -5.080 1.00 0.00 C ATOM 1217 C VAL A 78 -5.255 -5.339 -5.753 1.00 0.00 C ATOM 1218 O VAL A 78 -4.197 -5.914 -5.498 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.361 -3.559 -4.312 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.684 -2.370 -3.423 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.764 -4.703 -3.504 1.00 0.00 C ATOM 0 H VAL A 78 -6.760 -4.957 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.874 -3.277 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.617 -3.233 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.785 -2.058 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.048 -1.545 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.451 -2.652 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.884 -4.349 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.502 -5.068 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.478 -5.512 -4.176 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.134 -5.807 -6.618 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.884 -7.046 -7.320 1.00 0.00 C ATOM 1233 C ALA A 79 -7.177 -7.763 -7.658 1.00 0.00 C ATOM 1234 O ALA A 79 -7.203 -8.990 -7.750 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.973 -7.941 -6.483 1.00 0.00 C ATOM 0 H ALA A 79 -7.018 -5.352 -6.848 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.386 -6.812 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.788 -8.873 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.026 -7.431 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.453 -8.159 -5.529 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.251 -7.002 -7.856 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.524 -7.614 -8.193 1.00 0.00 C ATOM 1243 C GLU A 80 -9.567 -8.983 -7.546 1.00 0.00 C ATOM 1244 O GLU A 80 -10.096 -9.950 -8.096 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.633 -7.730 -9.707 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.317 -8.111 -10.359 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.232 -7.670 -11.807 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.244 -7.798 -12.527 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.153 -7.198 -12.220 1.00 0.00 O ATOM 0 H GLU A 80 -8.263 -5.984 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.359 -7.013 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.388 -8.476 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.976 -6.780 -10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.496 -7.664 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.189 -9.192 -10.305 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.941 -9.038 -6.384 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.803 -10.252 -5.611 1.00 0.00 C ATOM 1258 C LYS A 81 -9.582 -10.160 -4.305 1.00 0.00 C ATOM 1259 O LYS A 81 -10.000 -11.168 -3.735 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.314 -10.430 -5.347 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.941 -10.576 -3.888 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.559 -9.993 -3.631 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.679 -10.967 -2.873 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.299 -10.438 -1.537 1.00 0.00 N ATOM 0 H LYS A 81 -8.508 -8.225 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.208 -11.107 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.967 -11.311 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.781 -9.573 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.678 -10.068 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.956 -11.629 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.088 -9.738 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.653 -9.067 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.204 -11.915 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.779 -11.172 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.181 -11.228 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.404 -9.913 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.045 -9.802 -1.190 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.770 -8.933 -3.851 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.495 -8.647 -2.623 1.00 0.00 C ATOM 1280 C TYR A 82 -11.096 -7.256 -2.722 1.00 0.00 C ATOM 1281 O TYR A 82 -10.973 -6.602 -3.754 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.554 -8.721 -1.428 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.443 -7.730 -1.531 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.648 -6.403 -1.207 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.198 -8.116 -1.982 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.634 -5.485 -1.324 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.178 -7.209 -2.106 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.397 -5.889 -1.775 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.381 -4.974 -1.893 1.00 0.00 O ATOM 0 H TYR A 82 -9.422 -8.101 -4.327 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.287 -9.384 -2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.116 -8.542 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.138 -9.726 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.619 -6.084 -0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.024 -9.150 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.805 -4.451 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.209 -7.527 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.565 -5.338 -1.490 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.729 -6.798 -1.656 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.316 -5.468 -1.651 1.00 0.00 C ATOM 1301 C VAL A 83 -12.723 -5.060 -0.250 1.00 0.00 C ATOM 1302 O VAL A 83 -13.116 -5.896 0.562 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.524 -5.353 -2.591 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.713 -3.905 -3.002 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.343 -6.240 -3.813 1.00 0.00 C ATOM 0 H VAL A 83 -11.850 -7.322 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.543 -4.792 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.416 -5.691 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.571 -3.825 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.885 -3.295 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.819 -3.553 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.211 -6.143 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.447 -5.936 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.241 -7.278 -3.497 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.602 -3.770 0.039 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.929 -3.263 1.359 1.00 0.00 C ATOM 1317 C PHE A 84 -13.480 -1.847 1.277 1.00 0.00 C ATOM 1318 O PHE A 84 -13.817 -1.365 0.197 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.680 -3.311 2.225 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.867 -4.542 1.958 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.420 -5.806 2.093 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.558 -4.430 1.540 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.671 -6.937 1.818 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -8.805 -5.553 1.261 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.362 -6.809 1.399 1.00 0.00 C ATOM 0 H PHE A 84 -12.281 -3.062 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.704 -3.886 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.072 -2.426 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.965 -3.284 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.445 -5.909 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.116 -3.451 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.110 -7.917 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.781 -5.449 0.935 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.775 -7.689 1.180 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.584 -1.192 2.424 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.113 0.162 2.474 1.00 0.00 C ATOM 1337 C ASP A 85 -13.027 1.182 2.801 1.00 0.00 C ATOM 1338 O ASP A 85 -13.328 2.308 3.197 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.238 0.253 3.507 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.165 1.424 3.252 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.676 2.572 3.215 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.382 1.193 3.090 1.00 0.00 O ATOM 0 H ASP A 85 -13.310 -1.575 3.329 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.507 0.396 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.814 -0.672 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.806 0.346 4.503 1.00 0.00 H new ATOM 1347 N SER A 86 -11.767 0.795 2.631 1.00 0.00 N ATOM 1348 CA SER A 86 -10.662 1.704 2.914 1.00 0.00 C ATOM 1349 C SER A 86 -9.308 0.993 2.891 1.00 0.00 C ATOM 1350 O SER A 86 -9.189 -0.204 3.218 1.00 0.00 O ATOM 1351 CB SER A 86 -10.870 2.380 4.271 1.00 0.00 C ATOM 1352 OG SER A 86 -10.481 3.743 4.226 1.00 0.00 O ATOM 0 H SER A 86 -11.488 -0.130 2.303 1.00 0.00 H new ATOM 0 HA SER A 86 -10.652 2.456 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.918 2.307 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.292 1.858 5.033 1.00 0.00 H new ATOM 0 HG SER A 86 -10.625 4.153 5.104 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.282 1.749 2.514 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.935 1.219 2.455 1.00 0.00 C ATOM 1360 C ILE A 87 -6.555 0.591 3.789 1.00 0.00 C ATOM 1361 O ILE A 87 -5.954 -0.475 3.828 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.889 2.303 2.121 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.092 2.885 0.719 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.491 1.719 2.239 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.372 2.459 0.043 1.00 0.00 C ATOM 0 H ILE A 87 -8.363 2.730 2.246 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.932 0.474 1.659 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.015 3.116 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.076 3.973 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.250 2.591 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.755 2.487 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.330 1.363 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.384 0.887 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.432 2.918 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.385 1.374 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.224 2.777 0.644 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.899 1.249 4.911 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.572 0.736 6.243 1.00 0.00 C ATOM 1379 C PRO A 88 -7.046 -0.694 6.430 1.00 0.00 C ATOM 1380 O PRO A 88 -6.268 -1.559 6.828 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.296 1.688 7.193 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.486 2.944 6.409 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.619 2.531 4.967 1.00 0.00 C ATOM 0 HA PRO A 88 -5.497 0.702 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.252 1.274 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.709 1.869 8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.375 3.479 6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.639 3.617 6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.663 2.418 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.179 3.268 4.296 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.303 -0.967 6.090 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.797 -2.329 6.181 1.00 0.00 C ATOM 1393 C LEU A 89 -8.101 -3.110 5.091 1.00 0.00 C ATOM 1394 O LEU A 89 -7.529 -4.183 5.325 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.319 -2.413 6.004 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.051 -1.076 5.979 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.190 -0.587 4.550 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.416 -1.204 6.637 1.00 0.00 C ATOM 0 H LEU A 89 -8.980 -0.280 5.758 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.587 -2.733 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.531 -2.941 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.729 -3.017 6.814 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.469 -0.346 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.714 0.369 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.200 -0.462 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.755 -1.316 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.925 -0.240 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.011 -1.943 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.292 -1.520 7.673 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.110 -2.524 3.895 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.442 -3.128 2.763 1.00 0.00 C ATOM 1412 C LEU A 90 -6.005 -3.453 3.140 1.00 0.00 C ATOM 1413 O LEU A 90 -5.481 -4.507 2.789 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.486 -2.181 1.565 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.168 -2.830 0.221 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.185 -2.406 -0.825 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.757 -2.472 -0.220 1.00 0.00 C ATOM 0 H LEU A 90 -8.572 -1.637 3.694 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.951 -4.051 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.478 -1.734 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.779 -1.369 1.736 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.225 -3.913 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.945 -2.877 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.182 -2.714 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.159 -1.322 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.545 -2.943 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.670 -1.390 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.043 -2.827 0.523 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.391 -2.545 3.893 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.027 -2.726 4.364 1.00 0.00 C ATOM 1431 C ILE A 91 -4.021 -3.660 5.556 1.00 0.00 C ATOM 1432 O ILE A 91 -3.332 -4.681 5.566 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.391 -1.390 4.791 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.437 -0.385 3.646 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.956 -1.612 5.237 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.962 -0.962 2.340 1.00 0.00 C ATOM 0 H ILE A 91 -5.823 -1.670 4.191 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.448 -3.143 3.540 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.962 -0.987 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.459 -0.024 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.821 0.477 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.517 -0.660 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.940 -2.301 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.380 -2.034 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.018 -0.199 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.930 -1.298 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.593 -1.807 2.065 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.809 -3.302 6.561 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.918 -4.102 7.765 1.00 0.00 C ATOM 1450 C GLN A 92 -5.242 -5.543 7.406 1.00 0.00 C ATOM 1451 O GLN A 92 -4.930 -6.462 8.162 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.996 -3.533 8.688 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.577 -2.257 9.398 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.537 -1.472 8.623 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.839 -0.435 8.031 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.304 -1.966 8.620 1.00 0.00 N ATOM 0 H GLN A 92 -5.383 -2.459 6.562 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.963 -4.075 8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.895 -3.336 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.258 -4.284 9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.454 -1.630 9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.179 -2.507 10.382 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.099 -2.828 9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.562 -1.483 8.113 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.871 -5.742 6.246 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.221 -7.081 5.817 1.00 0.00 C ATOM 1467 C TYR A 93 -4.982 -7.840 5.340 1.00 0.00 C ATOM 1468 O TYR A 93 -4.808 -9.008 5.688 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.306 -7.029 4.746 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.910 -7.637 3.431 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.625 -8.990 3.321 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.834 -6.854 2.295 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.275 -9.545 2.106 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.486 -7.395 1.080 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.207 -8.742 0.986 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.860 -9.287 -0.227 1.00 0.00 O ATOM 0 H TYR A 93 -6.142 -5.000 5.601 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.625 -7.629 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.192 -7.544 5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.587 -5.989 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.678 -9.618 4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.052 -5.798 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.056 -10.600 2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.431 -6.767 0.203 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.319 -8.804 -0.946 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.088 -7.184 4.584 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.868 -7.857 4.153 1.00 0.00 C ATOM 1488 C HIS A 94 -1.833 -7.763 5.257 1.00 0.00 C ATOM 1489 O HIS A 94 -1.230 -8.756 5.659 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.257 -7.227 2.907 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.210 -6.914 1.799 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.478 -7.793 0.772 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -3.924 -5.799 1.532 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.315 -7.234 -0.078 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.603 -6.021 0.361 1.00 0.00 N ATOM 0 H HIS A 94 -4.187 -6.219 4.270 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.140 -8.888 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.754 -6.305 3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.491 -7.900 2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.955 -4.900 2.129 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.700 -7.689 -0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.228 -5.358 -0.097 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.627 -6.539 5.727 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.652 -6.270 6.767 1.00 0.00 C ATOM 1506 C GLN A 95 -0.806 -7.248 7.926 1.00 0.00 C ATOM 1507 O GLN A 95 0.082 -7.376 8.768 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.812 -4.838 7.275 1.00 0.00 C ATOM 1509 CG GLN A 95 0.509 -4.142 7.556 1.00 0.00 C ATOM 1510 CD GLN A 95 0.334 -2.890 8.388 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.789 -2.817 9.529 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.331 -1.894 7.815 1.00 0.00 N ATOM 0 H GLN A 95 -2.128 -5.714 5.399 1.00 0.00 H new ATOM 0 HA GLN A 95 0.343 -6.395 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.368 -4.260 6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.409 -4.849 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.176 -4.830 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.989 -3.884 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.690 -2.000 6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.483 -1.023 8.324 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.948 -7.931 7.967 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.230 -8.891 9.028 1.00 0.00 C ATOM 1523 C TYR A 96 -2.505 -10.283 8.464 1.00 0.00 C ATOM 1524 O TYR A 96 -1.741 -11.219 8.695 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.428 -8.421 9.852 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.124 -7.235 10.738 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.738 -6.019 10.191 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.222 -7.331 12.121 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.459 -4.932 10.995 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.945 -6.248 12.932 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.564 -5.050 12.364 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.286 -3.969 13.168 1.00 0.00 O ATOM 0 H TYR A 96 -2.693 -7.836 7.276 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.348 -8.953 9.666 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.243 -8.160 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.779 -9.246 10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.655 -5.922 9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.520 -8.268 12.569 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.160 -3.993 10.553 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.026 -6.339 14.005 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.409 -4.220 14.107 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.607 -10.412 7.731 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.992 -11.692 7.143 1.00 0.00 C ATOM 1544 C ASN A 97 -3.352 -11.886 5.774 1.00 0.00 C ATOM 1545 O ASN A 97 -2.551 -11.065 5.328 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.514 -11.780 7.020 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.227 -10.857 7.989 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.934 -10.849 9.185 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.169 -10.075 7.476 1.00 0.00 N ATOM 0 H ASN A 97 -4.250 -9.646 7.530 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.636 -12.483 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.808 -11.530 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.832 -12.807 7.200 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.684 -9.434 8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.378 -10.116 6.478 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.714 -12.982 5.110 1.00 0.00 N ATOM 1557 CA GLY A 98 -3.169 -13.267 3.796 1.00 0.00 C ATOM 1558 C GLY A 98 -2.952 -12.012 2.979 1.00 0.00 C ATOM 1559 O GLY A 98 -2.029 -11.245 3.245 1.00 0.00 O ATOM 0 H GLY A 98 -4.375 -13.676 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.222 -13.795 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.846 -13.933 3.261 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.804 -11.796 1.984 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.677 -10.617 1.150 1.00 0.00 C ATOM 1565 C GLY A 99 -2.445 -10.657 0.264 1.00 0.00 C ATOM 1566 O GLY A 99 -1.559 -9.811 0.388 1.00 0.00 O ATOM 0 H GLY A 99 -4.578 -12.414 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.565 -10.521 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.635 -9.731 1.784 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.392 -11.636 -0.635 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.260 -11.762 -1.535 1.00 0.00 C ATOM 1572 C GLY A 100 -0.298 -10.593 -1.439 1.00 0.00 C ATOM 1573 O GLY A 100 0.467 -10.488 -0.480 1.00 0.00 O ATOM 0 H GLY A 100 -3.115 -12.345 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.726 -12.685 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.624 -11.844 -2.559 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.332 -9.712 -2.435 1.00 0.00 N ATOM 1578 CA LEU A 101 0.548 -8.548 -2.454 1.00 0.00 C ATOM 1579 C LEU A 101 2.008 -8.983 -2.354 1.00 0.00 C ATOM 1580 O LEU A 101 2.304 -10.074 -1.867 1.00 0.00 O ATOM 1581 CB LEU A 101 0.203 -7.606 -1.297 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.723 -6.440 -1.655 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.075 -6.952 -2.138 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.890 -5.516 -0.452 1.00 0.00 C ATOM 0 H LEU A 101 -0.958 -9.782 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 101 0.403 -8.020 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.264 -8.189 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.130 -7.201 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.271 -5.873 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.717 -6.107 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.934 -7.573 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.543 -7.543 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.550 -4.690 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.322 -6.074 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.083 -5.123 -0.157 1.00 0.00 H new ATOM 1596 N VAL A 102 2.921 -8.130 -2.816 1.00 0.00 N ATOM 1597 CA VAL A 102 4.345 -8.447 -2.767 1.00 0.00 C ATOM 1598 C VAL A 102 4.621 -9.497 -1.703 1.00 0.00 C ATOM 1599 O VAL A 102 5.397 -10.430 -1.916 1.00 0.00 O ATOM 1600 CB VAL A 102 5.199 -7.203 -2.461 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.516 -6.440 -3.738 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.499 -6.309 -1.448 1.00 0.00 C ATOM 0 H VAL A 102 2.702 -7.222 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 102 4.617 -8.828 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 102 6.142 -7.532 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.120 -5.565 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.068 -7.086 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.587 -6.121 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.118 -5.435 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.538 -5.987 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.339 -6.863 -0.523 1.00 0.00 H new ATOM 1612 N THR A 103 3.975 -9.335 -0.556 1.00 0.00 N ATOM 1613 CA THR A 103 4.137 -10.261 0.555 1.00 0.00 C ATOM 1614 C THR A 103 3.099 -9.975 1.630 1.00 0.00 C ATOM 1615 O THR A 103 3.323 -10.230 2.813 1.00 0.00 O ATOM 1616 CB THR A 103 5.545 -10.154 1.140 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.494 -9.768 2.503 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.422 -9.156 0.414 1.00 0.00 C ATOM 0 H THR A 103 3.331 -8.566 -0.371 1.00 0.00 H new ATOM 0 HA THR A 103 3.992 -11.276 0.185 1.00 0.00 H new ATOM 0 HB THR A 103 5.980 -11.147 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.922 -10.391 2.998 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.407 -9.130 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.523 -9.452 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.969 -8.166 0.468 1.00 0.00 H new ATOM 1626 N ARG A 104 1.962 -9.439 1.203 1.00 0.00 N ATOM 1627 CA ARG A 104 0.882 -9.109 2.120 1.00 0.00 C ATOM 1628 C ARG A 104 1.318 -8.014 3.086 1.00 0.00 C ATOM 1629 O ARG A 104 1.954 -8.292 4.103 1.00 0.00 O ATOM 1630 CB ARG A 104 0.451 -10.358 2.890 1.00 0.00 C ATOM 1631 CG ARG A 104 0.090 -10.090 4.340 1.00 0.00 C ATOM 1632 CD ARG A 104 0.928 -10.930 5.288 1.00 0.00 C ATOM 1633 NE ARG A 104 0.814 -12.356 5.002 1.00 0.00 N ATOM 1634 CZ ARG A 104 0.825 -13.299 5.939 1.00 0.00 C ATOM 1635 NH1 ARG A 104 0.945 -12.964 7.217 1.00 0.00 N ATOM 1636 NH2 ARG A 104 0.718 -14.576 5.600 1.00 0.00 N ATOM 0 H ARG A 104 1.765 -9.224 0.225 1.00 0.00 H new ATOM 0 HA ARG A 104 0.034 -8.740 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.407 -10.805 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.257 -11.091 2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.236 -9.033 4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.967 -10.306 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.973 -10.628 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.614 -10.740 6.314 1.00 0.00 H new ATOM 0 HE ARG A 104 0.721 -12.646 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.029 -11.982 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.953 -13.688 7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.627 -14.837 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.727 -15.298 6.321 1.00 0.00 H new ATOM 1650 N LEU A 105 0.981 -6.767 2.761 1.00 0.00 N ATOM 1651 CA LEU A 105 1.348 -5.634 3.604 1.00 0.00 C ATOM 1652 C LEU A 105 2.306 -6.072 4.705 1.00 0.00 C ATOM 1653 O LEU A 105 2.020 -5.933 5.893 1.00 0.00 O ATOM 1654 CB LEU A 105 0.095 -4.977 4.197 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.627 -4.022 3.246 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.353 -3.516 2.229 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.803 -4.673 2.541 1.00 0.00 C ATOM 0 H LEU A 105 0.456 -6.518 1.923 1.00 0.00 H new ATOM 0 HA LEU A 105 1.859 -4.895 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.600 -5.759 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.377 -4.430 5.097 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.028 -3.202 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.152 -2.834 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.163 -2.990 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.761 -4.356 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.277 -3.948 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.451 -5.523 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.526 -5.016 3.281 1.00 0.00 H new ATOM 1669 N ARG A 106 3.448 -6.615 4.291 1.00 0.00 N ATOM 1670 CA ARG A 106 4.461 -7.097 5.224 1.00 0.00 C ATOM 1671 C ARG A 106 4.798 -6.059 6.293 1.00 0.00 C ATOM 1672 O ARG A 106 4.952 -6.400 7.465 1.00 0.00 O ATOM 1673 CB ARG A 106 5.731 -7.488 4.468 1.00 0.00 C ATOM 1674 CG ARG A 106 6.941 -7.667 5.370 1.00 0.00 C ATOM 1675 CD ARG A 106 6.583 -8.421 6.641 1.00 0.00 C ATOM 1676 NE ARG A 106 7.460 -8.065 7.754 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.691 -8.543 7.901 1.00 0.00 C ATOM 1678 NH1 ARG A 106 9.188 -9.391 7.011 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.428 -8.172 8.940 1.00 0.00 N ATOM 0 H ARG A 106 3.695 -6.732 3.308 1.00 0.00 H new ATOM 0 HA ARG A 106 4.047 -7.971 5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.551 -8.416 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.952 -6.723 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.720 -8.208 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.351 -6.691 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.549 -8.206 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.648 -9.493 6.457 1.00 0.00 H new ATOM 0 HE ARG A 106 7.108 -7.414 8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.625 -9.678 6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.133 -9.756 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.050 -7.519 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.373 -8.539 9.052 1.00 0.00 H new ATOM 1693 N TYR A 107 4.928 -4.799 5.889 1.00 0.00 N ATOM 1694 CA TYR A 107 5.265 -3.739 6.836 1.00 0.00 C ATOM 1695 C TYR A 107 5.007 -2.351 6.262 1.00 0.00 C ATOM 1696 O TYR A 107 5.761 -1.867 5.418 1.00 0.00 O ATOM 1697 CB TYR A 107 6.730 -3.846 7.248 1.00 0.00 C ATOM 1698 CG TYR A 107 7.158 -2.735 8.175 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.658 -2.661 9.465 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.051 -1.756 7.757 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.033 -1.644 10.316 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.433 -0.735 8.605 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.922 -0.683 9.884 1.00 0.00 C ATOM 1704 OH TYR A 107 8.299 0.333 10.731 1.00 0.00 O ATOM 0 H TYR A 107 4.807 -4.488 4.925 1.00 0.00 H new ATOM 0 HA TYR A 107 4.620 -3.871 7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.896 -4.806 7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.356 -3.830 6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.963 -3.413 9.809 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.452 -1.794 6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.632 -1.600 11.318 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.129 0.019 8.268 1.00 0.00 H new ATOM 0 HH TYR A 107 8.931 0.924 10.272 1.00 0.00 H new ATOM 1714 N PRO A 108 3.939 -1.689 6.726 1.00 0.00 N ATOM 1715 CA PRO A 108 3.574 -0.343 6.279 1.00 0.00 C ATOM 1716 C PRO A 108 4.707 0.671 6.455 1.00 0.00 C ATOM 1717 O PRO A 108 5.281 0.800 7.536 1.00 0.00 O ATOM 1718 CB PRO A 108 2.389 0.024 7.182 1.00 0.00 C ATOM 1719 CG PRO A 108 2.459 -0.930 8.321 1.00 0.00 C ATOM 1720 CD PRO A 108 2.993 -2.194 7.729 1.00 0.00 C ATOM 0 HA PRO A 108 3.345 -0.325 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.461 1.055 7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.443 -0.068 6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.112 -0.556 9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.477 -1.086 8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.485 -2.818 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.205 -2.798 7.279 1.00 0.00 H new ATOM 1728 N VAL A 109 5.005 1.396 5.382 1.00 0.00 N ATOM 1729 CA VAL A 109 6.039 2.413 5.382 1.00 0.00 C ATOM 1730 C VAL A 109 5.404 3.786 5.483 1.00 0.00 C ATOM 1731 O VAL A 109 4.592 4.158 4.643 1.00 0.00 O ATOM 1732 CB VAL A 109 6.875 2.342 4.095 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.640 3.637 3.876 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.811 1.149 4.142 1.00 0.00 C ATOM 0 H VAL A 109 4.531 1.291 4.485 1.00 0.00 H new ATOM 0 HA VAL A 109 6.691 2.237 6.238 1.00 0.00 H new ATOM 0 HB VAL A 109 6.202 2.211 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.225 3.564 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.937 4.465 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.308 3.812 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.398 1.110 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.481 1.245 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 109 7.228 0.233 4.239 1.00 0.00 H new ATOM 1744 N CYS A 110 5.749 4.530 6.520 1.00 0.00 N ATOM 1745 CA CYS A 110 5.175 5.847 6.713 1.00 0.00 C ATOM 1746 C CYS A 110 6.259 6.914 6.751 1.00 0.00 C ATOM 1747 O CYS A 110 6.765 7.272 7.815 1.00 0.00 O ATOM 1748 CB CYS A 110 4.337 5.869 7.995 1.00 0.00 C ATOM 1749 SG CYS A 110 4.517 7.377 8.977 1.00 0.00 S ATOM 0 H CYS A 110 6.419 4.246 7.235 1.00 0.00 H new ATOM 0 HA CYS A 110 4.524 6.071 5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.287 5.745 7.731 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.614 5.013 8.611 1.00 0.00 H new ATOM 0 HG CYS A 110 5.778 7.667 9.100 1.00 0.00 H new ATOM 1755 N GLY A 111 6.610 7.414 5.573 1.00 0.00 N ATOM 1756 CA GLY A 111 7.632 8.436 5.470 1.00 0.00 C ATOM 1757 C GLY A 111 8.955 7.998 6.067 1.00 0.00 C ATOM 1758 O GLY A 111 9.017 7.610 7.234 1.00 0.00 O ATOM 0 H GLY A 111 6.202 7.128 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.778 8.694 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.290 9.339 5.976 1.00 0.00 H new