USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 748 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 34 LYS NZ :NH3+ -145:sc= 0.972 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.319 K(o=1.3,f=-5.3) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -2.58 K(o=-2.6,f=-4.3) USER MOD Single : A 10 THR OG1 : rot -70:sc= -0.463 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.26) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 37 GLN : amide:sc=-0.00403 X(o=-0.004,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.167) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -1.67! C(o=-3.6!,f=-1.7!) USER MOD Single : A 70 MET CE :methyl -148:sc= -2.25 (180deg=-5.62!) USER MOD Single : A 88 THR OG1 : rot -74:sc= 1.19 USER MOD Single : A 105 SER OG : rot 180:sc= -0.535 USER MOD Single : A 111 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.51) USER MOD Single : A 116 SER OG : rot 130:sc= -1.17! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.911 8.803 -8.334 1.00 0.00 N ATOM 15 CA ILE A 3 0.963 8.029 -7.098 1.00 0.00 C ATOM 16 C ILE A 3 1.348 6.581 -7.373 1.00 0.00 C ATOM 17 O ILE A 3 1.410 6.152 -8.524 1.00 0.00 O ATOM 18 CB ILE A 3 -0.384 8.059 -6.347 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.556 7.898 -7.318 1.00 0.00 C ATOM 20 CG2 ILE A 3 -0.518 9.351 -5.560 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.930 6.457 -7.580 1.00 0.00 C ATOM 0 HA ILE A 3 1.724 8.494 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.406 7.221 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.423 8.423 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.302 8.377 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.473 9.360 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.295 9.423 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.472 10.199 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.768 6.419 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.077 5.932 -8.010 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.216 5.979 -6.643 1.00 0.00 H new ATOM 33 N GLU A 4 1.610 5.830 -6.308 1.00 0.00 N ATOM 34 CA GLU A 4 1.993 4.431 -6.440 1.00 0.00 C ATOM 35 C GLU A 4 1.651 3.639 -5.181 1.00 0.00 C ATOM 36 O GLU A 4 1.365 4.212 -4.125 1.00 0.00 O ATOM 37 CB GLU A 4 3.490 4.319 -6.734 1.00 0.00 C ATOM 38 CG GLU A 4 3.828 3.274 -7.786 1.00 0.00 C ATOM 39 CD GLU A 4 5.309 2.953 -7.833 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.123 3.899 -7.785 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.654 1.756 -7.918 1.00 0.00 O ATOM 0 H GLU A 4 1.564 6.167 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 4 1.428 4.008 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.860 5.289 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.016 4.076 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.268 2.362 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.506 3.631 -8.764 1.00 0.00 H new ATOM 48 N TRP A 5 1.686 2.315 -5.304 1.00 0.00 N ATOM 49 CA TRP A 5 1.385 1.430 -4.187 1.00 0.00 C ATOM 50 C TRP A 5 2.633 1.172 -3.352 1.00 0.00 C ATOM 51 O TRP A 5 3.388 0.237 -3.620 1.00 0.00 O ATOM 52 CB TRP A 5 0.826 0.101 -4.697 1.00 0.00 C ATOM 53 CG TRP A 5 -0.546 0.212 -5.286 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.862 0.457 -6.591 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.790 0.078 -4.592 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.226 0.481 -6.751 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.818 0.252 -5.536 1.00 0.00 C ATOM 58 CE3 TRP A 5 -2.134 -0.173 -3.261 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.165 0.182 -5.193 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.471 -0.242 -2.921 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.473 -0.067 -3.884 1.00 0.00 C ATOM 0 H TRP A 5 1.921 1.831 -6.171 1.00 0.00 H new ATOM 0 HA TRP A 5 0.637 1.918 -3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.503 -0.303 -5.449 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.802 -0.613 -3.874 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.144 0.610 -7.383 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.718 0.643 -7.630 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.368 -0.311 -2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.939 0.319 -5.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.749 -0.434 -1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.509 -0.130 -3.587 1.00 0.00 H new ATOM 72 N TYR A 6 2.842 1.999 -2.335 1.00 0.00 N ATOM 73 CA TYR A 6 3.997 1.852 -1.460 1.00 0.00 C ATOM 74 C TYR A 6 3.686 0.885 -0.329 1.00 0.00 C ATOM 75 O TYR A 6 2.803 1.137 0.491 1.00 0.00 O ATOM 76 CB TYR A 6 4.415 3.210 -0.900 1.00 0.00 C ATOM 77 CG TYR A 6 5.055 4.107 -1.931 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.410 4.003 -2.223 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.305 5.049 -2.622 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.000 4.816 -3.172 1.00 0.00 C ATOM 81 CE2 TYR A 6 4.887 5.867 -3.573 1.00 0.00 C ATOM 82 CZ TYR A 6 6.233 5.746 -3.843 1.00 0.00 C ATOM 83 OH TYR A 6 6.816 6.557 -4.790 1.00 0.00 O ATOM 0 H TYR A 6 2.227 2.777 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 6 4.824 1.447 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.539 3.710 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.113 3.057 -0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.012 3.275 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.250 5.145 -2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.054 4.724 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.290 6.596 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 6 6.139 7.155 -5.170 1.00 0.00 H new ATOM 93 N ALA A 7 4.403 -0.232 -0.295 1.00 0.00 N ATOM 94 CA ALA A 7 4.185 -1.241 0.731 1.00 0.00 C ATOM 95 C ALA A 7 5.266 -1.199 1.803 1.00 0.00 C ATOM 96 O ALA A 7 6.426 -0.895 1.523 1.00 0.00 O ATOM 97 CB ALA A 7 4.116 -2.624 0.103 1.00 0.00 C ATOM 0 H ALA A 7 5.138 -0.460 -0.964 1.00 0.00 H new ATOM 0 HA ALA A 7 3.234 -1.020 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.953 -3.369 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.293 -2.659 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.053 -2.837 -0.412 1.00 0.00 H new ATOM 103 N VAL A 8 4.873 -1.515 3.033 1.00 0.00 N ATOM 104 CA VAL A 8 5.799 -1.528 4.156 1.00 0.00 C ATOM 105 C VAL A 8 5.918 -2.932 4.736 1.00 0.00 C ATOM 106 O VAL A 8 5.044 -3.778 4.535 1.00 0.00 O ATOM 107 CB VAL A 8 5.363 -0.538 5.263 1.00 0.00 C ATOM 108 CG1 VAL A 8 3.857 -0.586 5.469 1.00 0.00 C ATOM 109 CG2 VAL A 8 6.094 -0.803 6.575 1.00 0.00 C ATOM 0 H VAL A 8 3.915 -1.766 3.276 1.00 0.00 H new ATOM 0 HA VAL A 8 6.772 -1.212 3.780 1.00 0.00 H new ATOM 0 HB VAL A 8 5.635 0.464 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.574 0.118 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.354 -0.317 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.562 -1.593 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.761 -0.088 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.876 -1.815 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.168 -0.695 6.422 1.00 0.00 H new ATOM 119 N HIS A 9 7.008 -3.164 5.451 1.00 0.00 N ATOM 120 CA HIS A 9 7.261 -4.462 6.067 1.00 0.00 C ATOM 121 C HIS A 9 7.063 -4.396 7.578 1.00 0.00 C ATOM 122 O HIS A 9 7.409 -3.401 8.216 1.00 0.00 O ATOM 123 CB HIS A 9 8.682 -4.934 5.750 1.00 0.00 C ATOM 124 CG HIS A 9 9.076 -4.745 4.317 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.604 -5.757 3.542 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.020 -3.655 3.517 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.857 -5.296 2.331 1.00 0.00 C ATOM 128 NE2 HIS A 9 9.510 -4.022 2.289 1.00 0.00 N ATOM 0 H HIS A 9 7.735 -2.469 5.621 1.00 0.00 H new ATOM 0 HA HIS A 9 6.547 -5.175 5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.384 -4.394 6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.769 -5.990 6.005 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.773 -6.713 3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.657 -2.676 3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.276 -5.864 1.514 1.00 0.00 H new ATOM 137 N THR A 10 6.505 -5.461 8.143 1.00 0.00 N ATOM 138 CA THR A 10 6.263 -5.523 9.580 1.00 0.00 C ATOM 139 C THR A 10 6.210 -6.970 10.061 1.00 0.00 C ATOM 140 O THR A 10 6.268 -7.904 9.259 1.00 0.00 O ATOM 141 CB THR A 10 4.956 -4.810 9.931 1.00 0.00 C ATOM 142 OG1 THR A 10 3.860 -5.420 9.274 1.00 0.00 O ATOM 143 CG2 THR A 10 4.957 -3.344 9.559 1.00 0.00 C ATOM 0 H THR A 10 6.212 -6.292 7.629 1.00 0.00 H new ATOM 0 HA THR A 10 7.089 -5.021 10.083 1.00 0.00 H new ATOM 0 HB THR A 10 4.863 -4.893 11.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.911 -5.236 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.001 -2.898 9.835 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.762 -2.835 10.089 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.109 -3.241 8.484 1.00 0.00 H new ATOM 151 N LEU A 11 6.101 -7.149 11.373 1.00 0.00 N ATOM 152 CA LEU A 11 6.040 -8.483 11.959 1.00 0.00 C ATOM 153 C LEU A 11 4.599 -8.970 12.058 1.00 0.00 C ATOM 154 O LEU A 11 3.659 -8.178 11.982 1.00 0.00 O ATOM 155 CB LEU A 11 6.688 -8.481 13.345 1.00 0.00 C ATOM 156 CG LEU A 11 8.213 -8.598 13.349 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.644 -9.983 12.891 1.00 0.00 C ATOM 158 CD2 LEU A 11 8.831 -7.527 12.463 1.00 0.00 C ATOM 0 H LEU A 11 6.053 -6.388 12.050 1.00 0.00 H new ATOM 0 HA LEU A 11 6.588 -9.165 11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.408 -7.561 13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.274 -9.307 13.924 1.00 0.00 H new ATOM 0 HG LEU A 11 8.567 -8.448 14.369 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.732 -10.047 12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.230 -10.734 13.564 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.279 -10.162 11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.917 -7.625 12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.469 -7.646 11.442 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.551 -6.541 12.834 1.00 0.00 H new ATOM 170 N VAL A 12 4.432 -10.276 12.227 1.00 0.00 N ATOM 171 CA VAL A 12 3.105 -10.871 12.335 1.00 0.00 C ATOM 172 C VAL A 12 2.385 -10.382 13.588 1.00 0.00 C ATOM 173 O VAL A 12 2.910 -10.487 14.698 1.00 0.00 O ATOM 174 CB VAL A 12 3.180 -12.409 12.368 1.00 0.00 C ATOM 175 CG1 VAL A 12 1.789 -13.014 12.280 1.00 0.00 C ATOM 176 CG2 VAL A 12 4.067 -12.923 11.243 1.00 0.00 C ATOM 0 H VAL A 12 5.200 -10.944 12.292 1.00 0.00 H new ATOM 0 HA VAL A 12 2.546 -10.561 11.452 1.00 0.00 H new ATOM 0 HB VAL A 12 3.622 -12.713 13.317 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.863 -14.101 12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.189 -12.672 13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.316 -12.704 11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.109 -14.012 11.281 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.656 -12.609 10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.072 -12.517 11.358 1.00 0.00 H new ATOM 186 N GLY A 13 1.183 -9.848 13.403 1.00 0.00 N ATOM 187 CA GLY A 13 0.411 -9.351 14.526 1.00 0.00 C ATOM 188 C GLY A 13 0.562 -7.856 14.718 1.00 0.00 C ATOM 189 O GLY A 13 -0.368 -7.182 15.163 1.00 0.00 O ATOM 0 H GLY A 13 0.729 -9.750 12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.641 -9.590 14.373 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.726 -9.864 15.435 1.00 0.00 H new ATOM 193 N GLN A 14 1.737 -7.333 14.383 1.00 0.00 N ATOM 194 CA GLN A 14 2.009 -5.908 14.520 1.00 0.00 C ATOM 195 C GLN A 14 1.430 -5.128 13.344 1.00 0.00 C ATOM 196 O GLN A 14 1.040 -3.970 13.487 1.00 0.00 O ATOM 197 CB GLN A 14 3.515 -5.661 14.618 1.00 0.00 C ATOM 198 CG GLN A 14 4.196 -6.484 15.700 1.00 0.00 C ATOM 199 CD GLN A 14 5.035 -5.638 16.637 1.00 0.00 C ATOM 200 OE1 GLN A 14 6.194 -5.337 16.351 1.00 0.00 O ATOM 201 NE2 GLN A 14 4.452 -5.250 17.765 1.00 0.00 N ATOM 0 H GLN A 14 2.517 -7.877 14.014 1.00 0.00 H new ATOM 0 HA GLN A 14 1.531 -5.559 15.435 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.976 -5.888 13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.690 -4.603 14.814 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.439 -7.016 16.277 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.829 -7.238 15.233 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.489 -5.523 17.961 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.967 -4.679 18.435 1.00 0.00 H new ATOM 210 N GLU A 15 1.377 -5.772 12.182 1.00 0.00 N ATOM 211 CA GLU A 15 0.847 -5.138 10.981 1.00 0.00 C ATOM 212 C GLU A 15 -0.601 -4.702 11.186 1.00 0.00 C ATOM 213 O GLU A 15 -1.020 -3.654 10.697 1.00 0.00 O ATOM 214 CB GLU A 15 0.938 -6.097 9.792 1.00 0.00 C ATOM 215 CG GLU A 15 0.817 -5.407 8.443 1.00 0.00 C ATOM 216 CD GLU A 15 -0.211 -6.064 7.540 1.00 0.00 C ATOM 217 OE1 GLU A 15 -1.419 -5.951 7.836 1.00 0.00 O ATOM 218 OE2 GLU A 15 0.193 -6.692 6.540 1.00 0.00 O ATOM 0 H GLU A 15 1.695 -6.732 12.047 1.00 0.00 H new ATOM 0 HA GLU A 15 1.447 -4.252 10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.889 -6.627 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.151 -6.846 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.545 -4.363 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.788 -5.414 7.947 1.00 0.00 H new ATOM 225 N GLU A 16 -1.360 -5.515 11.914 1.00 0.00 N ATOM 226 CA GLU A 16 -2.761 -5.213 12.184 1.00 0.00 C ATOM 227 C GLU A 16 -2.900 -3.890 12.929 1.00 0.00 C ATOM 228 O GLU A 16 -3.893 -3.180 12.773 1.00 0.00 O ATOM 229 CB GLU A 16 -3.398 -6.340 12.999 1.00 0.00 C ATOM 230 CG GLU A 16 -4.861 -6.581 12.661 1.00 0.00 C ATOM 231 CD GLU A 16 -5.297 -8.004 12.946 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.752 -8.272 14.078 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.184 -8.854 12.035 1.00 0.00 O ATOM 0 H GLU A 16 -1.029 -6.387 12.327 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.279 -5.126 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.838 -7.260 12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.312 -6.104 14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.481 -5.893 13.235 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.028 -6.357 11.607 1.00 0.00 H new ATOM 240 N LYS A 17 -1.897 -3.564 13.738 1.00 0.00 N ATOM 241 CA LYS A 17 -1.908 -2.324 14.508 1.00 0.00 C ATOM 242 C LYS A 17 -1.327 -1.173 13.693 1.00 0.00 C ATOM 243 O LYS A 17 -1.706 -0.017 13.876 1.00 0.00 O ATOM 244 CB LYS A 17 -1.114 -2.498 15.804 1.00 0.00 C ATOM 245 CG LYS A 17 -1.175 -1.287 16.722 1.00 0.00 C ATOM 246 CD LYS A 17 -0.422 -1.533 18.018 1.00 0.00 C ATOM 247 CE LYS A 17 -1.227 -2.397 18.975 1.00 0.00 C ATOM 248 NZ LYS A 17 -0.759 -2.254 20.381 1.00 0.00 N ATOM 0 H LYS A 17 -1.067 -4.140 13.878 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.943 -2.086 14.753 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.494 -3.369 16.339 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.073 -2.705 15.557 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.752 -0.421 16.213 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.215 -1.049 16.944 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.529 -2.018 17.801 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.192 -0.579 18.493 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.280 -2.122 18.913 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.152 -3.441 18.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.334 -2.859 21.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.239 -2.540 20.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.855 -1.262 20.680 1.00 0.00 H new ATOM 262 N ALA A 18 -0.403 -1.498 12.794 1.00 0.00 N ATOM 263 CA ALA A 18 0.232 -0.490 11.951 1.00 0.00 C ATOM 264 C ALA A 18 -0.802 0.260 11.119 1.00 0.00 C ATOM 265 O ALA A 18 -0.817 1.491 11.092 1.00 0.00 O ATOM 266 CB ALA A 18 1.270 -1.137 11.048 1.00 0.00 C ATOM 0 H ALA A 18 -0.077 -2.451 12.630 1.00 0.00 H new ATOM 0 HA ALA A 18 0.729 0.231 12.600 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.736 -0.374 10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.032 -1.622 11.658 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.787 -1.880 10.413 1.00 0.00 H new ATOM 272 N LYS A 19 -1.665 -0.488 10.441 1.00 0.00 N ATOM 273 CA LYS A 19 -2.703 0.107 9.606 1.00 0.00 C ATOM 274 C LYS A 19 -3.630 0.989 10.437 1.00 0.00 C ATOM 275 O LYS A 19 -3.995 2.089 10.019 1.00 0.00 O ATOM 276 CB LYS A 19 -3.513 -0.986 8.906 1.00 0.00 C ATOM 277 CG LYS A 19 -4.150 -1.979 9.864 1.00 0.00 C ATOM 278 CD LYS A 19 -4.490 -3.289 9.168 1.00 0.00 C ATOM 279 CE LYS A 19 -5.992 -3.508 9.090 1.00 0.00 C ATOM 280 NZ LYS A 19 -6.335 -4.729 8.310 1.00 0.00 N ATOM 0 H LYS A 19 -1.667 -1.508 10.453 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.217 0.728 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.295 -0.520 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.862 -1.525 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.470 -2.173 10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.056 -1.546 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.069 -3.287 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.028 -4.118 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.399 -3.594 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.462 -2.639 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.368 -4.843 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.969 -4.636 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.908 -5.562 8.763 1.00 0.00 H new ATOM 294 N ALA A 20 -4.007 0.501 11.613 1.00 0.00 N ATOM 295 CA ALA A 20 -4.890 1.245 12.502 1.00 0.00 C ATOM 296 C ALA A 20 -4.222 2.520 13.002 1.00 0.00 C ATOM 297 O ALA A 20 -4.786 3.610 12.898 1.00 0.00 O ATOM 298 CB ALA A 20 -5.312 0.373 13.676 1.00 0.00 C ATOM 0 H ALA A 20 -3.714 -0.407 11.973 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.777 1.530 11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.971 0.941 14.332 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.839 -0.506 13.305 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.429 0.059 14.232 1.00 0.00 H new ATOM 304 N ASN A 21 -3.017 2.379 13.544 1.00 0.00 N ATOM 305 CA ASN A 21 -2.271 3.521 14.059 1.00 0.00 C ATOM 306 C ASN A 21 -1.931 4.499 12.938 1.00 0.00 C ATOM 307 O ASN A 21 -1.837 5.705 13.161 1.00 0.00 O ATOM 308 CB ASN A 21 -0.991 3.049 14.752 1.00 0.00 C ATOM 309 CG ASN A 21 -1.084 3.141 16.262 1.00 0.00 C ATOM 310 OD1 ASN A 21 -0.758 4.169 16.855 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.530 2.061 16.895 1.00 0.00 N ATOM 0 H ASN A 21 -2.536 1.484 13.638 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.898 4.037 14.786 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.785 2.018 14.466 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.150 3.650 14.405 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.613 2.064 17.912 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.789 1.230 16.364 1.00 0.00 H new ATOM 318 N LEU A 22 -1.746 3.969 11.734 1.00 0.00 N ATOM 319 CA LEU A 22 -1.415 4.795 10.578 1.00 0.00 C ATOM 320 C LEU A 22 -2.657 5.496 10.038 1.00 0.00 C ATOM 321 O LEU A 22 -2.692 6.721 9.932 1.00 0.00 O ATOM 322 CB LEU A 22 -0.778 3.940 9.481 1.00 0.00 C ATOM 323 CG LEU A 22 -0.446 4.688 8.188 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.517 5.833 8.464 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.139 3.735 7.158 1.00 0.00 C ATOM 0 H LEU A 22 -1.819 2.972 11.533 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.701 5.555 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.138 3.497 9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.453 3.118 9.244 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.369 5.106 7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.741 6.353 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.062 6.530 9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.439 5.438 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.369 4.283 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.051 3.288 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.584 2.950 6.937 1.00 0.00 H new ATOM 337 N GLU A 23 -3.675 4.710 9.696 1.00 0.00 N ATOM 338 CA GLU A 23 -4.922 5.253 9.162 1.00 0.00 C ATOM 339 C GLU A 23 -5.441 6.399 10.026 1.00 0.00 C ATOM 340 O GLU A 23 -6.076 7.328 9.528 1.00 0.00 O ATOM 341 CB GLU A 23 -5.979 4.150 9.067 1.00 0.00 C ATOM 342 CG GLU A 23 -5.959 3.401 7.746 1.00 0.00 C ATOM 343 CD GLU A 23 -7.315 2.829 7.378 1.00 0.00 C ATOM 344 OE1 GLU A 23 -7.787 1.918 8.088 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.902 3.294 6.378 1.00 0.00 O ATOM 0 H GLU A 23 -3.661 3.693 9.779 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.719 5.644 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.825 3.440 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.966 4.590 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.627 4.074 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.231 2.592 7.803 1.00 0.00 H new ATOM 352 N LYS A 24 -5.164 6.327 11.325 1.00 0.00 N ATOM 353 CA LYS A 24 -5.601 7.361 12.254 1.00 0.00 C ATOM 354 C LYS A 24 -4.818 8.651 12.035 1.00 0.00 C ATOM 355 O LYS A 24 -5.390 9.741 12.017 1.00 0.00 O ATOM 356 CB LYS A 24 -5.434 6.881 13.699 1.00 0.00 C ATOM 357 CG LYS A 24 -6.749 6.550 14.385 1.00 0.00 C ATOM 358 CD LYS A 24 -6.673 5.229 15.135 1.00 0.00 C ATOM 359 CE LYS A 24 -7.416 5.296 16.460 1.00 0.00 C ATOM 360 NZ LYS A 24 -6.675 4.600 17.548 1.00 0.00 N ATOM 0 H LYS A 24 -4.640 5.565 11.756 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.656 7.563 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.796 5.997 13.708 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.919 7.652 14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.009 7.349 15.080 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.545 6.502 13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.096 4.435 14.519 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.629 4.971 15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.572 6.339 16.736 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.402 4.845 16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.215 4.668 18.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.548 3.599 17.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.744 5.046 17.674 1.00 0.00 H new ATOM 374 N ARG A 25 -3.506 8.519 11.864 1.00 0.00 N ATOM 375 CA ARG A 25 -2.646 9.675 11.641 1.00 0.00 C ATOM 376 C ARG A 25 -2.974 10.341 10.309 1.00 0.00 C ATOM 377 O ARG A 25 -2.920 11.565 10.185 1.00 0.00 O ATOM 378 CB ARG A 25 -1.174 9.255 11.673 1.00 0.00 C ATOM 379 CG ARG A 25 -0.414 9.795 12.874 1.00 0.00 C ATOM 380 CD ARG A 25 -0.686 8.970 14.121 1.00 0.00 C ATOM 381 NE ARG A 25 -1.777 9.526 14.918 1.00 0.00 N ATOM 382 CZ ARG A 25 -1.985 9.232 16.200 1.00 0.00 C ATOM 383 NH1 ARG A 25 -1.180 8.387 16.832 1.00 0.00 N ATOM 384 NH2 ARG A 25 -2.999 9.783 16.850 1.00 0.00 N ATOM 0 H ARG A 25 -3.016 7.624 11.876 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.825 10.395 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.115 8.167 11.675 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.687 9.598 10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.655 9.793 12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.701 10.831 13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.932 7.948 13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.218 8.921 14.728 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.417 10.178 14.465 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.398 7.960 16.336 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.343 8.165 17.814 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.621 10.433 16.369 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.158 9.558 17.832 1.00 0.00 H new ATOM 398 N ILE A 26 -3.316 9.527 9.316 1.00 0.00 N ATOM 399 CA ILE A 26 -3.657 10.036 7.993 1.00 0.00 C ATOM 400 C ILE A 26 -4.926 10.882 8.043 1.00 0.00 C ATOM 401 O ILE A 26 -5.096 11.811 7.254 1.00 0.00 O ATOM 402 CB ILE A 26 -3.852 8.887 6.983 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.610 7.994 6.947 1.00 0.00 C ATOM 404 CG2 ILE A 26 -4.154 9.438 5.596 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.374 8.698 6.432 1.00 0.00 C ATOM 0 H ILE A 26 -3.364 8.512 9.403 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.824 10.657 7.665 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.702 8.286 7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.413 7.619 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.814 7.128 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.288 8.612 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.066 10.035 5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.325 10.063 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.533 8.005 6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.552 9.049 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.145 9.548 7.075 1.00 0.00 H new ATOM 417 N LYS A 27 -5.814 10.555 8.977 1.00 0.00 N ATOM 418 CA LYS A 27 -7.066 11.287 9.130 1.00 0.00 C ATOM 419 C LYS A 27 -6.926 12.394 10.170 1.00 0.00 C ATOM 420 O LYS A 27 -7.573 13.437 10.073 1.00 0.00 O ATOM 421 CB LYS A 27 -8.193 10.334 9.531 1.00 0.00 C ATOM 422 CG LYS A 27 -9.584 10.907 9.305 1.00 0.00 C ATOM 423 CD LYS A 27 -10.245 10.302 8.076 1.00 0.00 C ATOM 424 CE LYS A 27 -11.760 10.402 8.150 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.412 9.072 7.996 1.00 0.00 N ATOM 0 H LYS A 27 -5.690 9.789 9.639 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.310 11.743 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.094 9.408 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.082 10.076 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.203 10.718 10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.518 11.989 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.889 10.814 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.953 9.256 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.049 10.839 9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.118 11.074 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.445 9.183 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.157 8.665 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.090 8.438 8.755 1.00 0.00 H new ATOM 439 N ALA A 28 -6.078 12.159 11.165 1.00 0.00 N ATOM 440 CA ALA A 28 -5.853 13.136 12.225 1.00 0.00 C ATOM 441 C ALA A 28 -5.050 14.327 11.711 1.00 0.00 C ATOM 442 O ALA A 28 -5.308 15.470 12.087 1.00 0.00 O ATOM 443 CB ALA A 28 -5.142 12.484 13.401 1.00 0.00 C ATOM 0 H ALA A 28 -5.535 11.301 11.260 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.823 13.503 12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.981 13.224 14.184 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.754 11.671 13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.181 12.089 13.072 1.00 0.00 H new ATOM 449 N PHE A 29 -4.076 14.050 10.851 1.00 0.00 N ATOM 450 CA PHE A 29 -3.235 15.099 10.285 1.00 0.00 C ATOM 451 C PHE A 29 -3.946 15.806 9.137 1.00 0.00 C ATOM 452 O PHE A 29 -3.780 17.009 8.935 1.00 0.00 O ATOM 453 CB PHE A 29 -1.910 14.511 9.798 1.00 0.00 C ATOM 454 CG PHE A 29 -0.853 14.446 10.863 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.176 15.588 11.258 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.538 13.241 11.472 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.797 15.530 12.236 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.433 13.176 12.451 1.00 0.00 C ATOM 459 CZ PHE A 29 1.102 14.323 12.836 1.00 0.00 C ATOM 0 H PHE A 29 -3.849 13.109 10.531 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.033 15.831 11.067 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.088 13.507 9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.540 15.111 8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.412 16.535 10.796 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.059 12.342 11.177 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.320 16.428 12.532 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.670 12.230 12.916 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.861 14.276 13.603 1.00 0.00 H new ATOM 469 N GLY A 30 -4.740 15.050 8.386 1.00 0.00 N ATOM 470 CA GLY A 30 -5.467 15.619 7.266 1.00 0.00 C ATOM 471 C GLY A 30 -4.659 15.616 5.984 1.00 0.00 C ATOM 472 O GLY A 30 -4.414 16.670 5.396 1.00 0.00 O ATOM 0 H GLY A 30 -4.893 14.052 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.388 15.056 7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.755 16.642 7.507 1.00 0.00 H new ATOM 476 N LEU A 31 -4.243 14.431 5.550 1.00 0.00 N ATOM 477 CA LEU A 31 -3.458 14.297 4.327 1.00 0.00 C ATOM 478 C LEU A 31 -4.150 13.362 3.338 1.00 0.00 C ATOM 479 O LEU A 31 -3.524 12.461 2.779 1.00 0.00 O ATOM 480 CB LEU A 31 -2.057 13.776 4.650 1.00 0.00 C ATOM 481 CG LEU A 31 -2.017 12.540 5.551 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.758 11.727 5.284 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.093 12.946 7.014 1.00 0.00 C ATOM 0 H LEU A 31 -4.436 13.550 6.026 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.372 15.282 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.549 13.542 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.491 14.575 5.129 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.882 11.917 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.746 10.852 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.746 11.406 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.120 12.340 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.063 12.055 7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.247 13.589 7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.023 13.485 7.194 1.00 0.00 H new ATOM 495 N GLN A 32 -5.443 13.584 3.128 1.00 0.00 N ATOM 496 CA GLN A 32 -6.221 12.763 2.206 1.00 0.00 C ATOM 497 C GLN A 32 -5.743 12.941 0.765 1.00 0.00 C ATOM 498 O GLN A 32 -6.076 12.141 -0.109 1.00 0.00 O ATOM 499 CB GLN A 32 -7.706 13.115 2.310 1.00 0.00 C ATOM 500 CG GLN A 32 -8.476 12.222 3.272 1.00 0.00 C ATOM 501 CD GLN A 32 -9.664 12.928 3.894 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.611 14.122 4.184 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.748 12.188 4.103 1.00 0.00 N ATOM 0 H GLN A 32 -5.975 14.326 3.584 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.078 11.719 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.804 14.152 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.158 13.045 1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.822 11.335 2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.806 11.881 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.749 11.201 3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.579 12.607 4.519 1.00 0.00 H new ATOM 512 N ASP A 33 -4.966 13.992 0.522 1.00 0.00 N ATOM 513 CA ASP A 33 -4.451 14.265 -0.815 1.00 0.00 C ATOM 514 C ASP A 33 -3.238 13.388 -1.136 1.00 0.00 C ATOM 515 O ASP A 33 -2.698 13.448 -2.240 1.00 0.00 O ATOM 516 CB ASP A 33 -4.074 15.741 -0.948 1.00 0.00 C ATOM 517 CG ASP A 33 -3.157 16.207 0.167 1.00 0.00 C ATOM 518 OD1 ASP A 33 -2.098 15.574 0.366 1.00 0.00 O ATOM 519 OD2 ASP A 33 -3.496 17.202 0.839 1.00 0.00 O ATOM 0 H ASP A 33 -4.680 14.667 1.231 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.240 14.029 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.585 15.903 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.981 16.346 -0.946 1.00 0.00 H new ATOM 524 N LYS A 34 -2.817 12.574 -0.170 1.00 0.00 N ATOM 525 CA LYS A 34 -1.673 11.691 -0.364 1.00 0.00 C ATOM 526 C LYS A 34 -2.110 10.230 -0.357 1.00 0.00 C ATOM 527 O LYS A 34 -1.906 9.506 -1.334 1.00 0.00 O ATOM 528 CB LYS A 34 -0.626 11.930 0.726 1.00 0.00 C ATOM 529 CG LYS A 34 0.802 11.948 0.204 1.00 0.00 C ATOM 530 CD LYS A 34 1.285 13.367 -0.057 1.00 0.00 C ATOM 531 CE LYS A 34 0.377 14.098 -1.034 1.00 0.00 C ATOM 532 NZ LYS A 34 0.908 15.444 -1.387 1.00 0.00 N ATOM 0 H LYS A 34 -3.250 12.509 0.751 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.231 11.915 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.836 12.880 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.718 11.151 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.460 11.466 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.861 11.368 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.326 13.917 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.300 13.339 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.265 13.503 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.616 14.203 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.117 16.106 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.523 15.786 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.456 15.381 -2.269 1.00 0.00 H new ATOM 546 N ILE A 35 -2.716 9.802 0.745 1.00 0.00 N ATOM 547 CA ILE A 35 -3.188 8.428 0.872 1.00 0.00 C ATOM 548 C ILE A 35 -4.519 8.249 0.154 1.00 0.00 C ATOM 549 O ILE A 35 -5.501 8.919 0.473 1.00 0.00 O ATOM 550 CB ILE A 35 -3.356 8.023 2.349 1.00 0.00 C ATOM 551 CG1 ILE A 35 -2.105 8.393 3.149 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.643 6.533 2.460 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.838 7.759 2.619 1.00 0.00 C ATOM 0 H ILE A 35 -2.892 10.386 1.563 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.435 7.786 0.415 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.203 8.568 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.988 9.477 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.245 8.092 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.759 6.262 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.561 6.298 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.815 5.970 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.007 8.066 3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.934 6.674 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.673 8.080 1.591 1.00 0.00 H new ATOM 565 N PHE A 36 -4.548 7.350 -0.826 1.00 0.00 N ATOM 566 CA PHE A 36 -5.762 7.101 -1.592 1.00 0.00 C ATOM 567 C PHE A 36 -6.271 5.678 -1.389 1.00 0.00 C ATOM 568 O PHE A 36 -7.420 5.475 -0.995 1.00 0.00 O ATOM 569 CB PHE A 36 -5.515 7.362 -3.077 1.00 0.00 C ATOM 570 CG PHE A 36 -4.944 8.723 -3.351 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.773 9.827 -3.471 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.577 8.900 -3.482 1.00 0.00 C ATOM 573 CE1 PHE A 36 -5.248 11.082 -3.717 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.048 10.150 -3.728 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.882 11.242 -3.845 1.00 0.00 C ATOM 0 H PHE A 36 -3.747 6.784 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.528 7.786 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.833 6.604 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.454 7.253 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.841 9.706 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.917 8.050 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.904 11.935 -3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.980 10.274 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.468 12.221 -4.036 1.00 0.00 H new ATOM 585 N GLN A 37 -5.422 4.691 -1.666 1.00 0.00 N ATOM 586 CA GLN A 37 -5.823 3.294 -1.513 1.00 0.00 C ATOM 587 C GLN A 37 -5.058 2.605 -0.387 1.00 0.00 C ATOM 588 O GLN A 37 -3.956 3.012 -0.022 1.00 0.00 O ATOM 589 CB GLN A 37 -5.614 2.526 -2.819 1.00 0.00 C ATOM 590 CG GLN A 37 -6.160 3.244 -4.042 1.00 0.00 C ATOM 591 CD GLN A 37 -7.313 2.504 -4.688 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.433 2.507 -4.176 1.00 0.00 O ATOM 593 NE2 GLN A 37 -7.044 1.861 -5.819 1.00 0.00 N ATOM 0 H GLN A 37 -4.466 4.829 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.882 3.291 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.548 2.347 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.093 1.550 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.490 4.242 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.360 3.370 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.101 1.885 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.780 1.343 -6.299 1.00 0.00 H new ATOM 602 N VAL A 38 -5.662 1.548 0.148 1.00 0.00 N ATOM 603 CA VAL A 38 -5.060 0.772 1.228 1.00 0.00 C ATOM 604 C VAL A 38 -5.608 -0.653 1.220 1.00 0.00 C ATOM 605 O VAL A 38 -6.495 -0.994 2.002 1.00 0.00 O ATOM 606 CB VAL A 38 -5.333 1.409 2.604 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.558 0.681 3.692 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.980 2.888 2.590 1.00 0.00 C ATOM 0 H VAL A 38 -6.575 1.207 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.983 0.759 1.060 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.397 1.316 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.763 1.145 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.864 -0.365 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.490 0.741 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.180 3.319 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.924 3.008 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.583 3.399 1.839 1.00 0.00 H new ATOM 618 N LEU A 39 -5.081 -1.476 0.317 1.00 0.00 N ATOM 619 CA LEU A 39 -5.522 -2.859 0.188 1.00 0.00 C ATOM 620 C LEU A 39 -4.752 -3.782 1.128 1.00 0.00 C ATOM 621 O LEU A 39 -3.645 -3.461 1.564 1.00 0.00 O ATOM 622 CB LEU A 39 -5.353 -3.328 -1.261 1.00 0.00 C ATOM 623 CG LEU A 39 -6.615 -3.244 -2.124 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.668 -4.220 -1.623 1.00 0.00 C ATOM 625 CD2 LEU A 39 -7.163 -1.824 -2.134 1.00 0.00 C ATOM 0 H LEU A 39 -4.346 -1.207 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.575 -2.903 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.571 -2.732 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.005 -4.361 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.352 -3.516 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.558 -4.147 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.274 -5.235 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.927 -3.978 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.060 -1.784 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.411 -1.522 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.412 -1.147 -2.540 1.00 0.00 H new ATOM 637 N ILE A 40 -5.347 -4.933 1.431 1.00 0.00 N ATOM 638 CA ILE A 40 -4.726 -5.912 2.315 1.00 0.00 C ATOM 639 C ILE A 40 -4.318 -7.167 1.540 1.00 0.00 C ATOM 640 O ILE A 40 -5.159 -7.829 0.932 1.00 0.00 O ATOM 641 CB ILE A 40 -5.674 -6.311 3.465 1.00 0.00 C ATOM 642 CG1 ILE A 40 -4.959 -7.240 4.447 1.00 0.00 C ATOM 643 CG2 ILE A 40 -6.931 -6.972 2.916 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.790 -7.586 5.664 1.00 0.00 C ATOM 0 H ILE A 40 -6.262 -5.210 1.075 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.837 -5.444 2.737 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.970 -5.408 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.685 -8.160 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.032 -6.768 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.588 -7.247 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.449 -6.276 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.657 -7.867 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.221 -8.248 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.043 -6.673 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.706 -8.087 5.349 1.00 0.00 H new ATOM 656 N PRO A 41 -3.015 -7.510 1.543 1.00 0.00 N ATOM 657 CA PRO A 41 -2.507 -8.688 0.830 1.00 0.00 C ATOM 658 C PRO A 41 -3.049 -10.001 1.391 1.00 0.00 C ATOM 659 O PRO A 41 -2.371 -10.686 2.157 1.00 0.00 O ATOM 660 CB PRO A 41 -0.991 -8.613 1.038 1.00 0.00 C ATOM 661 CG PRO A 41 -0.804 -7.758 2.242 1.00 0.00 C ATOM 662 CD PRO A 41 -1.940 -6.777 2.234 1.00 0.00 C ATOM 0 HA PRO A 41 -2.812 -8.679 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.565 -9.605 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.495 -8.182 0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.813 -8.358 3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.156 -7.243 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.233 -6.492 3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.676 -5.860 1.708 1.00 0.00 H new ATOM 670 N THR A 42 -4.270 -10.348 0.995 1.00 0.00 N ATOM 671 CA THR A 42 -4.900 -11.583 1.451 1.00 0.00 C ATOM 672 C THR A 42 -5.473 -12.367 0.275 1.00 0.00 C ATOM 673 O THR A 42 -5.940 -11.786 -0.704 1.00 0.00 O ATOM 674 CB THR A 42 -6.003 -11.275 2.462 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.806 -10.194 2.018 1.00 0.00 O ATOM 676 CG2 THR A 42 -5.475 -10.920 3.835 1.00 0.00 C ATOM 0 H THR A 42 -4.843 -9.792 0.360 1.00 0.00 H new ATOM 0 HA THR A 42 -4.137 -12.194 1.934 1.00 0.00 H new ATOM 0 HB THR A 42 -6.585 -12.193 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.507 -10.014 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.310 -10.713 4.504 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.894 -11.754 4.228 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.840 -10.037 3.764 1.00 0.00 H new ATOM 948 N LYS A 59 -6.458 -16.693 3.052 1.00 0.00 N ATOM 949 CA LYS A 59 -5.084 -16.920 3.485 1.00 0.00 C ATOM 950 C LYS A 59 -4.189 -15.751 3.080 1.00 0.00 C ATOM 951 O LYS A 59 -4.059 -15.435 1.897 1.00 0.00 O ATOM 952 CB LYS A 59 -4.545 -18.222 2.888 1.00 0.00 C ATOM 953 CG LYS A 59 -4.662 -18.295 1.374 1.00 0.00 C ATOM 954 CD LYS A 59 -4.218 -19.652 0.846 1.00 0.00 C ATOM 955 CE LYS A 59 -2.950 -19.540 0.012 1.00 0.00 C ATOM 956 NZ LYS A 59 -1.744 -19.975 0.772 1.00 0.00 N ATOM 0 HA LYS A 59 -5.080 -17.000 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.498 -18.334 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.083 -19.062 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.694 -18.108 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.054 -17.511 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.046 -20.330 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.014 -20.087 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.052 -20.149 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.820 -18.508 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.902 -19.883 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.632 -19.378 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.856 -20.967 1.062 1.00 0.00 H new ATOM 970 N LYS A 60 -3.578 -15.112 4.073 1.00 0.00 N ATOM 971 CA LYS A 60 -2.697 -13.974 3.826 1.00 0.00 C ATOM 972 C LYS A 60 -1.591 -14.337 2.839 1.00 0.00 C ATOM 973 O LYS A 60 -0.819 -15.268 3.071 1.00 0.00 O ATOM 974 CB LYS A 60 -2.082 -13.489 5.141 1.00 0.00 C ATOM 975 CG LYS A 60 -1.550 -14.611 6.017 1.00 0.00 C ATOM 976 CD LYS A 60 -0.034 -14.567 6.124 1.00 0.00 C ATOM 977 CE LYS A 60 0.448 -15.134 7.450 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.138 -16.476 7.726 1.00 0.00 N ATOM 0 H LYS A 60 -3.676 -15.363 5.057 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.295 -13.174 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.269 -12.797 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.833 -12.930 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.988 -14.535 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.859 -15.572 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.406 -15.133 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.309 -13.538 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.535 -15.208 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.183 -14.449 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.351 -16.908 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.149 -16.375 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.025 -17.083 6.889 1.00 0.00 H new ATOM 992 N LEU A 61 -1.519 -13.594 1.740 1.00 0.00 N ATOM 993 CA LEU A 61 -0.508 -13.834 0.716 1.00 0.00 C ATOM 994 C LEU A 61 0.827 -13.215 1.114 1.00 0.00 C ATOM 995 O LEU A 61 1.865 -13.876 1.086 1.00 0.00 O ATOM 996 CB LEU A 61 -0.961 -13.262 -0.629 1.00 0.00 C ATOM 997 CG LEU A 61 -2.030 -14.076 -1.359 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.274 -13.509 -2.749 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.625 -15.541 -1.443 1.00 0.00 C ATOM 0 H LEU A 61 -2.150 -12.819 1.535 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.379 -14.912 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.343 -12.254 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.090 -13.172 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.958 -14.010 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.038 -14.100 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.611 -12.476 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.349 -13.544 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.399 -16.103 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.684 -15.628 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.502 -15.943 -0.437 1.00 0.00 H new ATOM 1011 N PHE A 62 0.794 -11.937 1.483 1.00 0.00 N ATOM 1012 CA PHE A 62 2.002 -11.226 1.884 1.00 0.00 C ATOM 1013 C PHE A 62 1.974 -10.905 3.378 1.00 0.00 C ATOM 1014 O PHE A 62 1.493 -9.848 3.786 1.00 0.00 O ATOM 1015 CB PHE A 62 2.156 -9.937 1.072 1.00 0.00 C ATOM 1016 CG PHE A 62 2.104 -10.154 -0.414 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.893 -10.346 -1.061 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.269 -10.162 -1.166 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.844 -10.544 -2.429 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.226 -10.360 -2.534 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.012 -10.550 -3.166 1.00 0.00 C ATOM 0 H PHE A 62 -0.056 -11.374 1.512 1.00 0.00 H new ATOM 0 HA PHE A 62 2.857 -11.872 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.367 -9.241 1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.105 -9.466 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.024 -10.341 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.221 -10.012 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.106 -10.694 -2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.141 -10.366 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.977 -10.703 -4.235 1.00 0.00 H new ATOM 1031 N PRO A 63 2.492 -11.820 4.220 1.00 0.00 N ATOM 1032 CA PRO A 63 2.521 -11.631 5.674 1.00 0.00 C ATOM 1033 C PRO A 63 3.444 -10.493 6.092 1.00 0.00 C ATOM 1034 O PRO A 63 4.608 -10.446 5.694 1.00 0.00 O ATOM 1035 CB PRO A 63 3.049 -12.967 6.204 1.00 0.00 C ATOM 1036 CG PRO A 63 3.798 -13.562 5.062 1.00 0.00 C ATOM 1037 CD PRO A 63 3.084 -13.109 3.819 1.00 0.00 C ATOM 0 HA PRO A 63 1.540 -11.363 6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.697 -12.821 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.233 -13.616 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.836 -13.229 5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.813 -14.650 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.770 -12.993 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.321 -13.824 3.510 1.00 0.00 H new ATOM 1045 N GLY A 64 2.918 -9.578 6.899 1.00 0.00 N ATOM 1046 CA GLY A 64 3.709 -8.451 7.358 1.00 0.00 C ATOM 1047 C GLY A 64 3.894 -7.396 6.285 1.00 0.00 C ATOM 1048 O GLY A 64 4.840 -6.611 6.335 1.00 0.00 O ATOM 0 H GLY A 64 1.958 -9.597 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.226 -8.001 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.686 -8.806 7.686 1.00 0.00 H new ATOM 1052 N TYR A 65 2.989 -7.377 5.311 1.00 0.00 N ATOM 1053 CA TYR A 65 3.059 -6.412 4.221 1.00 0.00 C ATOM 1054 C TYR A 65 1.722 -5.701 4.034 1.00 0.00 C ATOM 1055 O TYR A 65 0.662 -6.322 4.121 1.00 0.00 O ATOM 1056 CB TYR A 65 3.463 -7.106 2.919 1.00 0.00 C ATOM 1057 CG TYR A 65 4.834 -7.742 2.966 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.967 -7.028 2.598 1.00 0.00 C ATOM 1059 CD2 TYR A 65 4.994 -9.060 3.375 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.220 -7.608 2.637 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.244 -9.647 3.417 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.353 -8.918 3.047 1.00 0.00 C ATOM 1063 OH TYR A 65 8.600 -9.499 3.088 1.00 0.00 O ATOM 0 H TYR A 65 2.199 -8.019 5.255 1.00 0.00 H new ATOM 0 HA TYR A 65 3.814 -5.669 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.725 -7.873 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.438 -6.379 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.867 -6.002 2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.127 -9.635 3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.091 -7.039 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.351 -10.672 3.738 1.00 0.00 H new ATOM 0 HH TYR A 65 8.520 -10.425 3.400 1.00 0.00 H new ATOM 1073 N LEU A 66 1.780 -4.402 3.773 1.00 0.00 N ATOM 1074 CA LEU A 66 0.573 -3.606 3.564 1.00 0.00 C ATOM 1075 C LEU A 66 0.698 -2.768 2.298 1.00 0.00 C ATOM 1076 O LEU A 66 1.730 -2.143 2.063 1.00 0.00 O ATOM 1077 CB LEU A 66 0.315 -2.702 4.772 1.00 0.00 C ATOM 1078 CG LEU A 66 -1.147 -2.608 5.211 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -1.637 -3.951 5.727 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.315 -1.533 6.274 1.00 0.00 C ATOM 0 H LEU A 66 2.650 -3.874 3.700 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.271 -4.286 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.908 -3.065 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.674 -1.699 4.539 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.750 -2.333 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.679 -3.864 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.553 -4.697 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.031 -4.256 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.361 -1.479 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.700 -1.778 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.004 -0.570 5.870 1.00 0.00 H new ATOM 1092 N PHE A 67 -0.352 -2.758 1.484 1.00 0.00 N ATOM 1093 CA PHE A 67 -0.343 -1.994 0.238 1.00 0.00 C ATOM 1094 C PHE A 67 -1.081 -0.670 0.400 1.00 0.00 C ATOM 1095 O PHE A 67 -2.250 -0.641 0.788 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.975 -2.810 -0.891 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.382 -4.184 -1.054 1.00 0.00 C ATOM 1098 CD1 PHE A 67 0.948 -4.425 -0.743 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -1.158 -5.231 -1.520 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.491 -5.688 -0.894 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.619 -6.495 -1.674 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.706 -6.723 -1.360 1.00 0.00 C ATOM 0 H PHE A 67 -1.218 -3.267 1.662 1.00 0.00 H new ATOM 0 HA PHE A 67 0.695 -1.778 -0.016 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.044 -2.906 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.864 -2.263 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.566 -3.618 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.195 -5.059 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.528 -5.864 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.234 -7.304 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.128 -7.710 -1.479 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.391 0.428 0.101 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.982 1.758 0.211 1.00 0.00 C ATOM 1114 C ILE A 68 -0.672 2.603 -1.020 1.00 0.00 C ATOM 1115 O ILE A 68 0.479 2.972 -1.253 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.473 2.514 1.459 1.00 0.00 C ATOM 1117 CG1 ILE A 68 -0.173 1.546 2.606 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.490 3.558 1.893 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.301 1.234 2.757 1.00 0.00 C ATOM 0 H ILE A 68 0.577 0.422 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.058 1.606 0.297 1.00 0.00 H new ATOM 0 HB ILE A 68 0.457 3.018 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.544 1.972 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.719 0.617 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.119 4.083 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.647 4.271 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.434 3.069 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.443 0.543 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.673 0.779 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.850 2.155 2.954 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.702 2.920 -1.800 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.522 3.736 -2.993 1.00 0.00 C ATOM 1133 C GLN A 69 -1.432 5.209 -2.613 1.00 0.00 C ATOM 1134 O GLN A 69 -2.367 5.978 -2.839 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.669 3.520 -3.983 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.377 4.064 -5.372 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.535 3.874 -6.331 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.463 4.824 -6.333 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.595 2.886 -7.062 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.663 2.626 -1.628 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.592 3.433 -3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.881 2.453 -4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.569 3.998 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.141 5.126 -5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.493 3.568 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.859 2.180 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.380 2.773 -7.703 1.00 0.00 H new ATOM 1148 N MET A 70 -0.301 5.582 -2.019 1.00 0.00 N ATOM 1149 CA MET A 70 -0.067 6.959 -1.587 1.00 0.00 C ATOM 1150 C MET A 70 0.624 7.775 -2.678 1.00 0.00 C ATOM 1151 O MET A 70 0.816 7.301 -3.797 1.00 0.00 O ATOM 1152 CB MET A 70 0.768 6.976 -0.305 1.00 0.00 C ATOM 1153 CG MET A 70 2.125 6.306 -0.447 1.00 0.00 C ATOM 1154 SD MET A 70 2.963 6.096 1.135 1.00 0.00 S ATOM 1155 CE MET A 70 2.845 7.755 1.802 1.00 0.00 C ATOM 0 H MET A 70 0.472 4.946 -1.825 1.00 0.00 H new ATOM 0 HA MET A 70 -1.036 7.417 -1.388 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.915 8.010 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.209 6.479 0.488 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.997 5.332 -0.919 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.752 6.901 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.719 7.962 2.420 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.800 8.474 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.944 7.840 2.409 1.00 0.00 H new ATOM 1165 N ASP A 71 1.004 9.006 -2.336 1.00 0.00 N ATOM 1166 CA ASP A 71 1.684 9.892 -3.276 1.00 0.00 C ATOM 1167 C ASP A 71 3.070 10.273 -2.761 1.00 0.00 C ATOM 1168 O ASP A 71 3.205 11.165 -1.922 1.00 0.00 O ATOM 1169 CB ASP A 71 0.860 11.159 -3.506 1.00 0.00 C ATOM 1170 CG ASP A 71 1.318 11.934 -4.727 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.522 11.866 -5.055 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.474 12.608 -5.354 1.00 0.00 O ATOM 0 H ASP A 71 0.851 9.411 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 71 1.794 9.357 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.190 10.890 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.929 11.799 -2.626 1.00 0.00 H new ATOM 1177 N LEU A 72 4.097 9.601 -3.269 1.00 0.00 N ATOM 1178 CA LEU A 72 5.469 9.880 -2.859 1.00 0.00 C ATOM 1179 C LEU A 72 6.379 10.095 -4.071 1.00 0.00 C ATOM 1180 O LEU A 72 7.595 10.223 -3.927 1.00 0.00 O ATOM 1181 CB LEU A 72 6.017 8.737 -2.003 1.00 0.00 C ATOM 1182 CG LEU A 72 5.209 8.422 -0.743 1.00 0.00 C ATOM 1183 CD1 LEU A 72 5.690 7.123 -0.115 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.310 9.567 0.252 1.00 0.00 C ATOM 0 H LEU A 72 4.006 8.860 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 72 5.455 10.797 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.069 7.837 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.038 8.982 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 72 4.162 8.301 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.105 6.913 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.568 6.307 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.742 7.216 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.730 9.327 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.354 9.718 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.919 10.478 -0.201 1.00 0.00 H new ATOM 1245 N GLU A 77 11.803 15.480 -2.928 1.00 0.00 N ATOM 1246 CA GLU A 77 11.756 14.751 -1.667 1.00 0.00 C ATOM 1247 C GLU A 77 10.333 14.291 -1.356 1.00 0.00 C ATOM 1248 O GLU A 77 9.364 14.862 -1.858 1.00 0.00 O ATOM 1249 CB GLU A 77 12.282 15.626 -0.529 1.00 0.00 C ATOM 1250 CG GLU A 77 13.789 15.818 -0.558 1.00 0.00 C ATOM 1251 CD GLU A 77 14.325 16.413 0.730 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.298 15.714 1.765 1.00 0.00 O ATOM 1253 OE2 GLU A 77 14.772 17.579 0.703 1.00 0.00 O ATOM 0 HA GLU A 77 12.390 13.870 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.799 16.602 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.999 15.178 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.271 14.857 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.053 16.468 -1.392 1.00 0.00 H new ATOM 1260 N PRO A 78 10.186 13.250 -0.518 1.00 0.00 N ATOM 1261 CA PRO A 78 8.872 12.717 -0.140 1.00 0.00 C ATOM 1262 C PRO A 78 8.009 13.759 0.565 1.00 0.00 C ATOM 1263 O PRO A 78 8.523 14.671 1.211 1.00 0.00 O ATOM 1264 CB PRO A 78 9.203 11.561 0.813 1.00 0.00 C ATOM 1265 CG PRO A 78 10.599 11.821 1.270 1.00 0.00 C ATOM 1266 CD PRO A 78 11.284 12.513 0.127 1.00 0.00 C ATOM 0 HA PRO A 78 8.296 12.408 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.511 11.534 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.127 10.599 0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.608 12.443 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.107 10.890 1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.071 13.183 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.749 11.802 -0.556 1.00 0.00 H new ATOM 1274 N ASN A 79 6.695 13.616 0.434 1.00 0.00 N ATOM 1275 CA ASN A 79 5.758 14.544 1.056 1.00 0.00 C ATOM 1276 C ASN A 79 5.769 14.397 2.575 1.00 0.00 C ATOM 1277 O ASN A 79 6.565 13.639 3.130 1.00 0.00 O ATOM 1278 CB ASN A 79 4.345 14.311 0.516 1.00 0.00 C ATOM 1279 CG ASN A 79 3.949 15.338 -0.528 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.216 16.284 -0.238 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.433 15.155 -1.751 1.00 0.00 N ATOM 0 H ASN A 79 6.254 12.866 -0.098 1.00 0.00 H new ATOM 0 HA ASN A 79 6.071 15.558 0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.285 13.313 0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.634 14.343 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.201 15.813 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.037 14.357 -1.946 1.00 0.00 H new ATOM 1288 N GLU A 80 4.878 15.127 3.239 1.00 0.00 N ATOM 1289 CA GLU A 80 4.781 15.079 4.694 1.00 0.00 C ATOM 1290 C GLU A 80 4.202 13.747 5.158 1.00 0.00 C ATOM 1291 O GLU A 80 4.481 13.289 6.266 1.00 0.00 O ATOM 1292 CB GLU A 80 3.914 16.231 5.211 1.00 0.00 C ATOM 1293 CG GLU A 80 4.132 17.544 4.475 1.00 0.00 C ATOM 1294 CD GLU A 80 5.596 17.928 4.386 1.00 0.00 C ATOM 1295 OE1 GLU A 80 6.138 18.441 5.389 1.00 0.00 O ATOM 1296 OE2 GLU A 80 6.203 17.714 3.315 1.00 0.00 O ATOM 0 H GLU A 80 4.213 15.759 2.793 1.00 0.00 H new ATOM 0 HA GLU A 80 5.787 15.180 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.864 15.949 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.120 16.381 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.719 17.465 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.583 18.336 4.983 1.00 0.00 H new ATOM 1303 N ALA A 81 3.391 13.129 4.304 1.00 0.00 N ATOM 1304 CA ALA A 81 2.768 11.849 4.625 1.00 0.00 C ATOM 1305 C ALA A 81 3.807 10.819 5.060 1.00 0.00 C ATOM 1306 O ALA A 81 3.511 9.918 5.843 1.00 0.00 O ATOM 1307 CB ALA A 81 1.980 11.334 3.429 1.00 0.00 C ATOM 0 H ALA A 81 3.150 13.495 3.383 1.00 0.00 H new ATOM 0 HA ALA A 81 2.085 12.007 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.520 10.378 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.204 12.053 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.652 11.201 2.581 1.00 0.00 H new ATOM 1313 N TRP A 82 5.026 10.960 4.548 1.00 0.00 N ATOM 1314 CA TRP A 82 6.105 10.041 4.887 1.00 0.00 C ATOM 1315 C TRP A 82 6.626 10.313 6.295 1.00 0.00 C ATOM 1316 O TRP A 82 7.014 9.390 7.014 1.00 0.00 O ATOM 1317 CB TRP A 82 7.247 10.163 3.877 1.00 0.00 C ATOM 1318 CG TRP A 82 8.200 9.008 3.915 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.560 9.071 4.017 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.865 7.617 3.850 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.090 7.803 4.020 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.071 6.895 3.918 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.663 6.913 3.743 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.108 5.503 3.883 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.701 5.532 3.707 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.916 4.839 3.778 1.00 0.00 C ATOM 0 H TRP A 82 5.290 11.701 3.898 1.00 0.00 H new ATOM 0 HA TRP A 82 5.708 9.026 4.853 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.828 10.246 2.874 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.796 11.084 4.070 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.135 9.983 4.085 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.082 7.575 4.087 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.721 7.439 3.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.044 4.967 3.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.778 4.978 3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.912 3.759 3.749 1.00 0.00 H new ATOM 1337 N GLU A 83 6.630 11.583 6.683 1.00 0.00 N ATOM 1338 CA GLU A 83 7.102 11.977 8.006 1.00 0.00 C ATOM 1339 C GLU A 83 6.159 11.471 9.091 1.00 0.00 C ATOM 1340 O GLU A 83 6.583 11.169 10.206 1.00 0.00 O ATOM 1341 CB GLU A 83 7.229 13.499 8.092 1.00 0.00 C ATOM 1342 CG GLU A 83 8.369 14.061 7.258 1.00 0.00 C ATOM 1343 CD GLU A 83 8.979 15.308 7.869 1.00 0.00 C ATOM 1344 OE1 GLU A 83 9.578 15.201 8.960 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.858 16.390 7.257 1.00 0.00 O ATOM 0 H GLU A 83 6.312 12.358 6.101 1.00 0.00 H new ATOM 0 HA GLU A 83 8.083 11.529 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.293 13.953 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.376 13.785 9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.142 13.300 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.003 14.293 6.258 1.00 0.00 H new ATOM 1352 N VAL A 84 4.875 11.382 8.756 1.00 0.00 N ATOM 1353 CA VAL A 84 3.871 10.911 9.702 1.00 0.00 C ATOM 1354 C VAL A 84 3.921 9.395 9.850 1.00 0.00 C ATOM 1355 O VAL A 84 3.892 8.867 10.961 1.00 0.00 O ATOM 1356 CB VAL A 84 2.452 11.324 9.264 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.440 10.997 10.351 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.410 12.804 8.915 1.00 0.00 C ATOM 0 H VAL A 84 4.507 11.630 7.838 1.00 0.00 H new ATOM 0 HA VAL A 84 4.099 11.374 10.662 1.00 0.00 H new ATOM 0 HB VAL A 84 2.188 10.756 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.444 11.296 10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.451 9.925 10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.699 11.535 11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.400 13.077 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.695 13.392 9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.104 13.005 8.099 1.00 0.00 H new ATOM 1368 N VAL A 85 4.003 8.699 8.721 1.00 0.00 N ATOM 1369 CA VAL A 85 4.061 7.242 8.722 1.00 0.00 C ATOM 1370 C VAL A 85 5.264 6.741 9.512 1.00 0.00 C ATOM 1371 O VAL A 85 5.172 5.760 10.249 1.00 0.00 O ATOM 1372 CB VAL A 85 4.131 6.681 7.288 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.054 5.161 7.300 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.025 7.274 6.427 1.00 0.00 C ATOM 0 H VAL A 85 4.031 9.121 7.793 1.00 0.00 H new ATOM 0 HA VAL A 85 3.146 6.889 9.197 1.00 0.00 H new ATOM 0 HB VAL A 85 5.089 6.966 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.105 4.786 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.887 4.759 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.114 4.848 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.091 6.866 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.055 7.024 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.136 8.358 6.388 1.00 0.00 H new ATOM 1384 N ARG A 86 6.393 7.425 9.356 1.00 0.00 N ATOM 1385 CA ARG A 86 7.616 7.050 10.057 1.00 0.00 C ATOM 1386 C ARG A 86 7.495 7.302 11.559 1.00 0.00 C ATOM 1387 O ARG A 86 8.324 6.836 12.341 1.00 0.00 O ATOM 1388 CB ARG A 86 8.807 7.828 9.492 1.00 0.00 C ATOM 1389 CG ARG A 86 10.156 7.281 9.929 1.00 0.00 C ATOM 1390 CD ARG A 86 10.957 6.754 8.748 1.00 0.00 C ATOM 1391 NE ARG A 86 12.273 6.266 9.153 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.315 7.059 9.393 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.198 8.376 9.272 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.476 6.534 9.756 1.00 0.00 N ATOM 0 H ARG A 86 6.486 8.241 8.751 1.00 0.00 H new ATOM 0 HA ARG A 86 7.776 5.983 9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.755 7.815 8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.729 8.870 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.722 8.066 10.432 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.007 6.481 10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.404 5.948 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.076 7.546 8.008 1.00 0.00 H new ATOM 0 HE ARG A 86 12.401 5.260 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.306 8.785 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.000 8.978 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.571 5.523 9.851 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.275 7.141 9.940 1.00 0.00 H new ATOM 1408 N GLY A 87 6.464 8.042 11.959 1.00 0.00 N ATOM 1409 CA GLY A 87 6.267 8.337 13.367 1.00 0.00 C ATOM 1410 C GLY A 87 5.079 7.604 13.966 1.00 0.00 C ATOM 1411 O GLY A 87 4.950 7.518 15.186 1.00 0.00 O ATOM 0 H GLY A 87 5.763 8.441 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.168 8.069 13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.125 9.411 13.491 1.00 0.00 H new ATOM 1415 N THR A 88 4.209 7.074 13.110 1.00 0.00 N ATOM 1416 CA THR A 88 3.030 6.349 13.571 1.00 0.00 C ATOM 1417 C THR A 88 3.425 5.176 14.470 1.00 0.00 C ATOM 1418 O THR A 88 4.020 4.205 14.006 1.00 0.00 O ATOM 1419 CB THR A 88 2.218 5.837 12.380 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.034 5.080 11.505 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.577 6.944 11.572 1.00 0.00 C ATOM 0 H THR A 88 4.299 7.133 12.096 1.00 0.00 H new ATOM 0 HA THR A 88 2.418 7.040 14.150 1.00 0.00 H new ATOM 0 HB THR A 88 1.428 5.222 12.812 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.616 5.683 10.997 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.017 6.512 10.743 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.901 7.515 12.209 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.351 7.604 11.181 1.00 0.00 H new ATOM 1429 N PRO A 89 3.096 5.250 15.774 1.00 0.00 N ATOM 1430 CA PRO A 89 3.422 4.183 16.729 1.00 0.00 C ATOM 1431 C PRO A 89 2.981 2.810 16.235 1.00 0.00 C ATOM 1432 O PRO A 89 1.799 2.584 15.970 1.00 0.00 O ATOM 1433 CB PRO A 89 2.639 4.577 17.982 1.00 0.00 C ATOM 1434 CG PRO A 89 2.493 6.055 17.887 1.00 0.00 C ATOM 1435 CD PRO A 89 2.382 6.368 16.420 1.00 0.00 C ATOM 0 HA PRO A 89 4.496 4.095 16.892 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.667 4.084 18.013 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.171 4.289 18.889 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.609 6.395 18.426 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.351 6.561 18.330 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.342 6.419 16.098 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.838 7.328 16.179 1.00 0.00 H new ATOM 1443 N GLY A 90 3.937 1.894 16.113 1.00 0.00 N ATOM 1444 CA GLY A 90 3.626 0.554 15.649 1.00 0.00 C ATOM 1445 C GLY A 90 4.256 0.239 14.306 1.00 0.00 C ATOM 1446 O GLY A 90 4.401 -0.927 13.940 1.00 0.00 O ATOM 0 H GLY A 90 4.921 2.056 16.327 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.971 -0.171 16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.544 0.442 15.574 1.00 0.00 H new ATOM 1450 N ILE A 91 4.633 1.279 13.569 1.00 0.00 N ATOM 1451 CA ILE A 91 5.251 1.105 12.260 1.00 0.00 C ATOM 1452 C ILE A 91 6.732 0.757 12.396 1.00 0.00 C ATOM 1453 O ILE A 91 7.492 1.477 13.043 1.00 0.00 O ATOM 1454 CB ILE A 91 5.105 2.376 11.398 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.644 2.130 9.986 1.00 0.00 C ATOM 1456 CG2 ILE A 91 5.821 3.551 12.052 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.562 1.847 8.968 1.00 0.00 C ATOM 0 H ILE A 91 4.521 2.251 13.856 1.00 0.00 H new ATOM 0 HA ILE A 91 4.732 0.282 11.768 1.00 0.00 H new ATOM 0 HB ILE A 91 4.046 2.622 11.322 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.214 3.002 9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.337 1.289 10.012 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.707 4.439 11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 91 5.389 3.739 13.035 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.880 3.317 12.160 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.016 1.683 7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.007 0.957 9.265 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.882 2.697 8.914 1.00 0.00 H new ATOM 1567 N ARG A 100 15.133 3.705 -0.207 1.00 0.00 N ATOM 1568 CA ARG A 100 13.780 4.157 -0.506 1.00 0.00 C ATOM 1569 C ARG A 100 12.768 3.038 -0.265 1.00 0.00 C ATOM 1570 O ARG A 100 13.123 1.860 -0.263 1.00 0.00 O ATOM 1571 CB ARG A 100 13.692 4.638 -1.957 1.00 0.00 C ATOM 1572 CG ARG A 100 14.438 5.937 -2.213 1.00 0.00 C ATOM 1573 CD ARG A 100 13.700 7.132 -1.628 1.00 0.00 C ATOM 1574 NE ARG A 100 13.315 8.095 -2.657 1.00 0.00 N ATOM 1575 CZ ARG A 100 14.150 8.983 -3.192 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.417 9.034 -2.798 1.00 0.00 N ATOM 1577 NH2 ARG A 100 13.718 9.819 -4.124 1.00 0.00 N ATOM 0 HA ARG A 100 13.543 4.987 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.091 3.864 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.644 4.772 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.435 5.876 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.567 6.078 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.809 6.787 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.334 7.624 -0.890 1.00 0.00 H new ATOM 0 HE ARG A 100 12.349 8.086 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.755 8.391 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.053 9.716 -3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.746 9.782 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.357 10.500 -4.534 1.00 0.00 H new ATOM 1591 N PRO A 101 11.487 3.394 -0.060 1.00 0.00 N ATOM 1592 CA PRO A 101 10.423 2.413 0.179 1.00 0.00 C ATOM 1593 C PRO A 101 10.361 1.355 -0.916 1.00 0.00 C ATOM 1594 O PRO A 101 11.057 1.453 -1.929 1.00 0.00 O ATOM 1595 CB PRO A 101 9.138 3.256 0.191 1.00 0.00 C ATOM 1596 CG PRO A 101 9.522 4.579 -0.385 1.00 0.00 C ATOM 1597 CD PRO A 101 10.972 4.769 -0.050 1.00 0.00 C ATOM 0 HA PRO A 101 10.583 1.859 1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.353 2.784 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.751 3.367 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.365 4.596 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.915 5.380 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.478 5.397 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.104 5.244 0.922 1.00 0.00 H new ATOM 1605 N VAL A 102 9.529 0.338 -0.709 1.00 0.00 N ATOM 1606 CA VAL A 102 9.385 -0.741 -1.681 1.00 0.00 C ATOM 1607 C VAL A 102 8.024 -0.691 -2.372 1.00 0.00 C ATOM 1608 O VAL A 102 7.109 -1.434 -2.012 1.00 0.00 O ATOM 1609 CB VAL A 102 9.560 -2.120 -1.018 1.00 0.00 C ATOM 1610 CG1 VAL A 102 9.601 -3.218 -2.070 1.00 0.00 C ATOM 1611 CG2 VAL A 102 10.817 -2.145 -0.162 1.00 0.00 C ATOM 0 H VAL A 102 8.945 0.239 0.122 1.00 0.00 H new ATOM 0 HA VAL A 102 10.169 -0.599 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 102 8.703 -2.302 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.725 -4.185 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.670 -3.214 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.438 -3.043 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.924 -3.127 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.687 -1.940 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.742 -1.386 0.616 1.00 0.00 H new ATOM 1621 N PRO A 103 7.872 0.188 -3.376 1.00 0.00 N ATOM 1622 CA PRO A 103 6.617 0.327 -4.118 1.00 0.00 C ATOM 1623 C PRO A 103 6.426 -0.786 -5.145 1.00 0.00 C ATOM 1624 O PRO A 103 7.373 -1.190 -5.818 1.00 0.00 O ATOM 1625 CB PRO A 103 6.781 1.675 -4.816 1.00 0.00 C ATOM 1626 CG PRO A 103 8.249 1.811 -5.029 1.00 0.00 C ATOM 1627 CD PRO A 103 8.911 1.113 -3.870 1.00 0.00 C ATOM 0 HA PRO A 103 5.743 0.266 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.239 1.701 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.392 2.489 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.548 1.361 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.541 2.861 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.807 0.577 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.217 1.820 -3.099 1.00 0.00 H new ATOM 1635 N LEU A 104 5.197 -1.276 -5.258 1.00 0.00 N ATOM 1636 CA LEU A 104 4.885 -2.341 -6.205 1.00 0.00 C ATOM 1637 C LEU A 104 4.593 -1.769 -7.588 1.00 0.00 C ATOM 1638 O LEU A 104 3.798 -0.840 -7.731 1.00 0.00 O ATOM 1639 CB LEU A 104 3.686 -3.156 -5.715 1.00 0.00 C ATOM 1640 CG LEU A 104 3.668 -3.444 -4.210 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.488 -2.750 -3.546 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.619 -4.944 -3.952 1.00 0.00 C ATOM 0 H LEU A 104 4.401 -0.954 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 104 5.754 -2.995 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.772 -2.623 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.668 -4.105 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 104 4.587 -3.050 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.493 -2.967 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.566 -1.674 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.559 -3.112 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.607 -5.128 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.718 -5.361 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.497 -5.418 -4.391 1.00 0.00 H new ATOM 1654 N SER A 105 5.242 -2.329 -8.604 1.00 0.00 N ATOM 1655 CA SER A 105 5.050 -1.873 -9.976 1.00 0.00 C ATOM 1656 C SER A 105 3.616 -2.124 -10.435 1.00 0.00 C ATOM 1657 O SER A 105 2.968 -3.068 -9.985 1.00 0.00 O ATOM 1658 CB SER A 105 6.031 -2.579 -10.912 1.00 0.00 C ATOM 1659 OG SER A 105 6.444 -1.719 -11.960 1.00 0.00 O ATOM 0 H SER A 105 5.904 -3.098 -8.503 1.00 0.00 H new ATOM 0 HA SER A 105 5.240 -0.800 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.901 -2.913 -10.347 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.562 -3.469 -11.331 1.00 0.00 H new ATOM 0 HG SER A 105 7.072 -2.193 -12.544 1.00 0.00 H new ATOM 1665 N PRO A 106 3.102 -1.279 -11.346 1.00 0.00 N ATOM 1666 CA PRO A 106 1.738 -1.414 -11.867 1.00 0.00 C ATOM 1667 C PRO A 106 1.443 -2.826 -12.364 1.00 0.00 C ATOM 1668 O PRO A 106 0.351 -3.354 -12.152 1.00 0.00 O ATOM 1669 CB PRO A 106 1.703 -0.419 -13.028 1.00 0.00 C ATOM 1670 CG PRO A 106 2.724 0.606 -12.678 1.00 0.00 C ATOM 1671 CD PRO A 106 3.809 -0.128 -11.937 1.00 0.00 C ATOM 0 HA PRO A 106 0.988 -1.222 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.939 -0.906 -13.974 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.715 0.028 -13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.119 1.086 -13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.292 1.392 -12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.607 -0.448 -12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.267 0.498 -11.171 1.00 0.00 H new ATOM 1679 N ASP A 107 2.423 -3.431 -13.025 1.00 0.00 N ATOM 1680 CA ASP A 107 2.269 -4.782 -13.554 1.00 0.00 C ATOM 1681 C ASP A 107 2.118 -5.794 -12.422 1.00 0.00 C ATOM 1682 O ASP A 107 1.443 -6.813 -12.573 1.00 0.00 O ATOM 1683 CB ASP A 107 3.469 -5.151 -14.426 1.00 0.00 C ATOM 1684 CG ASP A 107 3.332 -4.636 -15.846 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.311 -3.401 -16.032 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.244 -5.468 -16.773 1.00 0.00 O ATOM 0 H ASP A 107 3.333 -3.008 -13.208 1.00 0.00 H new ATOM 0 HA ASP A 107 1.366 -4.806 -14.163 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.377 -4.744 -13.981 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.581 -6.235 -14.445 1.00 0.00 H new ATOM 1691 N GLU A 108 2.750 -5.506 -11.290 1.00 0.00 N ATOM 1692 CA GLU A 108 2.686 -6.391 -10.132 1.00 0.00 C ATOM 1693 C GLU A 108 1.475 -6.063 -9.264 1.00 0.00 C ATOM 1694 O GLU A 108 0.869 -6.950 -8.664 1.00 0.00 O ATOM 1695 CB GLU A 108 3.967 -6.276 -9.302 1.00 0.00 C ATOM 1696 CG GLU A 108 5.025 -7.301 -9.672 1.00 0.00 C ATOM 1697 CD GLU A 108 5.831 -7.765 -8.476 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.265 -8.470 -7.614 1.00 0.00 O ATOM 1699 OE2 GLU A 108 7.030 -7.422 -8.398 1.00 0.00 O ATOM 0 H GLU A 108 3.313 -4.667 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 108 2.587 -7.414 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.382 -5.276 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.718 -6.388 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.545 -8.162 -10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.698 -6.871 -10.414 1.00 0.00 H new ATOM 1706 N VAL A 109 1.130 -4.782 -9.201 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.007 -4.334 -8.406 1.00 0.00 C ATOM 1708 C VAL A 109 -1.309 -4.949 -8.906 1.00 0.00 C ATOM 1709 O VAL A 109 -2.231 -5.195 -8.129 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.138 -2.800 -8.424 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.213 -2.347 -7.449 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.199 -2.144 -8.106 1.00 0.00 C ATOM 0 H VAL A 109 1.622 -4.035 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 109 0.177 -4.664 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.435 -2.489 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.293 -1.260 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.169 -2.787 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.949 -2.668 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.086 -1.060 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.532 -2.458 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.937 -2.444 -8.850 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.379 -5.194 -10.210 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.573 -5.778 -10.812 1.00 0.00 C ATOM 1724 C ARG A 110 -2.812 -7.189 -10.287 1.00 0.00 C ATOM 1725 O ARG A 110 -3.954 -7.643 -10.201 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.441 -5.804 -12.336 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.761 -6.020 -13.058 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.624 -5.786 -14.553 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.775 -5.075 -15.105 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.939 -5.656 -15.388 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -6.111 -6.954 -15.172 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -6.935 -4.936 -15.888 1.00 0.00 N ATOM 0 H ARG A 110 -0.626 -4.998 -10.869 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.427 -5.158 -10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.003 -4.863 -12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.748 -6.596 -12.619 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.113 -7.036 -12.879 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.514 -5.345 -12.651 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.717 -5.214 -14.748 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.512 -6.744 -15.061 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.681 -4.075 -15.284 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.349 -7.512 -14.787 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.005 -7.393 -15.391 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.809 -3.938 -16.055 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.827 -5.381 -16.105 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.732 -7.878 -9.935 1.00 0.00 N ATOM 1747 CA HIS A 111 -1.832 -9.236 -9.417 1.00 0.00 C ATOM 1748 C HIS A 111 -2.352 -9.232 -7.984 1.00 0.00 C ATOM 1749 O HIS A 111 -3.260 -9.991 -7.642 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.471 -9.930 -9.477 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.562 -11.410 -9.685 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.489 -11.997 -10.521 1.00 0.00 N ATOM 1753 CD2 HIS A 111 0.164 -12.427 -9.160 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.330 -13.308 -10.501 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.333 -13.594 -9.683 1.00 0.00 N ATOM 0 H HIS A 111 -0.780 -7.519 -9.999 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.538 -9.785 -10.040 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.115 -9.493 -10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.069 -9.734 -8.550 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.982 -12.336 -8.460 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.915 -14.024 -11.058 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.012 -14.531 -9.474 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.776 -8.373 -7.151 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.189 -8.273 -5.758 1.00 0.00 C ATOM 1766 C ILE A 112 -3.581 -7.659 -5.643 1.00 0.00 C ATOM 1767 O ILE A 112 -4.313 -7.930 -4.691 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.188 -7.444 -4.926 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.211 -5.974 -5.355 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.214 -8.020 -5.064 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.193 -5.116 -4.634 1.00 0.00 C ATOM 0 H ILE A 112 -1.023 -7.737 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.212 -9.287 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.484 -7.495 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.029 -5.915 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.207 -5.568 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.911 -7.426 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.221 -9.050 -4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.515 -7.997 -6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.267 -4.088 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.387 -5.145 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.809 -5.497 -4.832 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.943 -6.836 -6.624 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.250 -6.191 -6.634 1.00 0.00 C ATOM 1785 C LEU A 113 -6.337 -7.191 -7.019 1.00 0.00 C ATOM 1786 O LEU A 113 -7.462 -7.121 -6.525 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.255 -5.014 -7.611 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.718 -3.699 -7.043 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.839 -2.586 -8.071 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.455 -3.332 -5.763 1.00 0.00 C ATOM 0 H LEU A 113 -3.350 -6.601 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.456 -5.818 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.662 -5.284 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.276 -4.853 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.663 -3.830 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.452 -1.658 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.265 -2.848 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.886 -2.453 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.061 -2.394 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.518 -3.218 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.315 -4.121 -5.024 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.989 -8.124 -7.901 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.932 -9.141 -8.349 1.00 0.00 C ATOM 1804 C GLU A 114 -7.230 -10.129 -7.225 1.00 0.00 C ATOM 1805 O GLU A 114 -8.337 -10.658 -7.128 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.378 -9.884 -9.565 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.408 -10.752 -10.269 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.159 -10.860 -11.760 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.009 -10.625 -12.189 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.112 -11.182 -12.500 1.00 0.00 O ATOM 0 H GLU A 114 -5.061 -8.196 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.860 -8.644 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.981 -9.158 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.543 -10.509 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.398 -11.750 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.402 -10.339 -10.100 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.235 -10.370 -6.379 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.388 -11.290 -5.261 1.00 0.00 C ATOM 1819 C VAL A 115 -7.073 -10.604 -4.083 1.00 0.00 C ATOM 1820 O VAL A 115 -7.822 -11.232 -3.335 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.030 -11.846 -4.794 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.228 -12.937 -3.752 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.227 -12.370 -5.977 1.00 0.00 C ATOM 0 H VAL A 115 -5.313 -9.940 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.005 -12.116 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.467 -11.033 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.257 -13.317 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.756 -12.527 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.813 -13.750 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.271 -12.758 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.783 -13.168 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.051 -11.560 -6.685 1.00 0.00 H new ATOM 1833 N SER A 116 -6.810 -9.312 -3.926 1.00 0.00 N ATOM 1834 CA SER A 116 -7.400 -8.536 -2.843 1.00 0.00 C ATOM 1835 C SER A 116 -8.921 -8.517 -2.954 1.00 0.00 C ATOM 1836 O SER A 116 -9.623 -9.026 -2.080 1.00 0.00 O ATOM 1837 CB SER A 116 -6.854 -7.107 -2.856 1.00 0.00 C ATOM 1838 OG SER A 116 -5.995 -6.877 -1.753 1.00 0.00 O ATOM 0 H SER A 116 -6.191 -8.779 -4.537 1.00 0.00 H new ATOM 0 HA SER A 116 -7.130 -9.010 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.312 -6.930 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.682 -6.398 -2.830 1.00 0.00 H new ATOM 0 HG SER A 116 -5.155 -6.483 -2.069 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.424 -7.928 -4.034 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.859 -7.858 -4.237 1.00 0.00 C ATOM 1846 C GLY A 117 -11.291 -6.577 -4.924 1.00 0.00 C ATOM 1847 O GLY A 117 -12.265 -5.945 -4.517 1.00 0.00 O ATOM 0 H GLY A 117 -8.865 -7.499 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.179 -8.712 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.362 -7.936 -3.273 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.567 -6.194 -5.972 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.886 -4.981 -6.720 1.00 0.00 C ATOM 1853 C LEU A 118 -11.150 -5.300 -8.188 1.00 0.00 C ATOM 1854 O LEU A 118 -12.115 -4.810 -8.775 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.747 -3.965 -6.602 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.229 -3.717 -5.182 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -8.347 -2.477 -5.146 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.386 -3.576 -4.202 1.00 0.00 C ATOM 0 H LEU A 118 -9.757 -6.705 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.791 -4.550 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.915 -4.305 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.086 -3.016 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.631 -4.577 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.988 -2.316 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.497 -2.616 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.924 -1.610 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.995 -3.401 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.014 -2.736 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.979 -4.491 -4.205 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.287 -6.123 -8.775 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.428 -6.507 -10.175 1.00 0.00 C ATOM 1872 C LEU A 119 -11.127 -7.857 -10.302 1.00 0.00 C ATOM 1873 O LEU A 119 -10.877 -8.610 -11.243 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.055 -6.558 -10.849 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.684 -5.315 -11.659 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -9.600 -5.167 -12.864 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.747 -4.072 -10.785 1.00 0.00 C ATOM 0 H LEU A 119 -9.483 -6.537 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.041 -5.757 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.296 -6.713 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.023 -7.425 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.662 -5.432 -12.019 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.320 -4.277 -13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.506 -6.045 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.632 -5.073 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.480 -3.197 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.758 -3.952 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.048 -4.175 -9.955 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.004 -8.158 -9.349 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.724 -9.417 -9.373 1.00 0.00 C ATOM 1891 C GLY A 120 -14.221 -9.226 -9.523 1.00 0.00 C ATOM 1892 O GLY A 120 -14.750 -8.234 -8.977 1.00 0.00 O ATOM 1893 OXT GLY A 120 -14.864 -10.068 -10.185 1.00 0.00 O ATOM 0 H GLY A 120 -12.228 -7.551 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.354 -10.028 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.521 -9.966 -8.453 1.00 0.00 H new