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 9 HIS :FLIP no HE2:sc= 1.15 F(o=-2.9,f=2.4) USER MOD Set 1.2: A 65 TYR OH : rot -99:sc= 1.23 USER MOD Set 2.1: A 37 GLN : amide:sc= -0.697 K(o=-5.1,f=-7.1) USER MOD Set 2.2: A 69 GLN : amide:sc= -4.38! C(o=-5.1!,f=-5.8!) USER MOD Single : A 6 TYR OH : rot 160:sc= -0.816 USER MOD Single : A 10 THR OG1 : rot -150:sc= -1.36 USER MOD Single : A 14 GLN : amide:sc= -0.116 K(o=-0.12,f=-3.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= -0.671 (180deg=-3.21!) USER MOD Single : A 21 ASN : amide:sc=-0.000786 X(o=-0.00079,f=-0.066) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0356 (180deg=-0.217) USER MOD Single : A 32 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.052) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 0.341 (180deg=0.119) USER MOD Single : A 42 THR OG1 : rot 20:sc= 0.267 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 163:sc= -2.3 (180deg=-2.52!) USER MOD Single : A 79 ASN : amide:sc= -0.977 K(o=-0.98,f=-3.2!) USER MOD Single : A 88 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 105 SER OG : rot -122:sc= 0.359 USER MOD Single : A 111 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.44) USER MOD Single : A 116 SER OG : rot 90:sc= -4.96! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.517 7.278 -9.145 1.00 0.00 N ATOM 15 CA ILE A 3 -0.031 7.093 -7.782 1.00 0.00 C ATOM 16 C ILE A 3 0.848 5.848 -7.681 1.00 0.00 C ATOM 17 O ILE A 3 1.247 5.281 -8.698 1.00 0.00 O ATOM 18 CB ILE A 3 -1.201 6.994 -6.779 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.991 5.700 -6.987 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.117 8.201 -6.920 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.704 5.630 -8.320 1.00 0.00 C ATOM 0 HA ILE A 3 0.568 7.968 -7.528 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.787 6.981 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.311 4.852 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.724 5.600 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.938 8.120 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.552 9.112 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.518 8.237 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.242 4.685 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.410 6.457 -8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.974 5.697 -9.127 1.00 0.00 H new ATOM 33 N GLU A 4 1.160 5.429 -6.456 1.00 0.00 N ATOM 34 CA GLU A 4 2.005 4.257 -6.254 1.00 0.00 C ATOM 35 C GLU A 4 1.547 3.426 -5.057 1.00 0.00 C ATOM 36 O GLU A 4 1.001 3.953 -4.086 1.00 0.00 O ATOM 37 CB GLU A 4 3.462 4.687 -6.063 1.00 0.00 C ATOM 38 CG GLU A 4 4.416 4.062 -7.067 1.00 0.00 C ATOM 39 CD GLU A 4 4.735 4.989 -8.223 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.894 5.859 -8.536 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.825 4.848 -8.817 1.00 0.00 O ATOM 0 H GLU A 4 0.843 5.879 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 4 1.921 3.633 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.525 5.772 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.782 4.421 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.341 3.787 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.979 3.142 -7.454 1.00 0.00 H new ATOM 48 N TRP A 5 1.791 2.119 -5.137 1.00 0.00 N ATOM 49 CA TRP A 5 1.424 1.194 -4.071 1.00 0.00 C ATOM 50 C TRP A 5 2.612 0.951 -3.145 1.00 0.00 C ATOM 51 O TRP A 5 3.393 0.024 -3.356 1.00 0.00 O ATOM 52 CB TRP A 5 0.958 -0.139 -4.661 1.00 0.00 C ATOM 53 CG TRP A 5 -0.440 -0.108 -5.200 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.825 0.227 -6.467 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.640 -0.434 -4.490 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.188 0.128 -6.588 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.712 -0.275 -5.389 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.914 -0.845 -3.183 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.032 -0.513 -5.021 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.226 -1.080 -2.818 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.272 -0.914 -3.737 1.00 0.00 C ATOM 0 H TRP A 5 2.245 1.676 -5.936 1.00 0.00 H new ATOM 0 HA TRP A 5 0.609 1.638 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.639 -0.429 -5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.024 -0.908 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.154 0.526 -7.259 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.724 0.323 -7.434 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.114 -0.977 -2.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.840 -0.385 -5.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.449 -1.396 -1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.287 -1.107 -3.424 1.00 0.00 H new ATOM 72 N TYR A 6 2.750 1.791 -2.125 1.00 0.00 N ATOM 73 CA TYR A 6 3.853 1.662 -1.179 1.00 0.00 C ATOM 74 C TYR A 6 3.558 0.597 -0.127 1.00 0.00 C ATOM 75 O TYR A 6 2.547 0.664 0.573 1.00 0.00 O ATOM 76 CB TYR A 6 4.128 3.006 -0.501 1.00 0.00 C ATOM 77 CG TYR A 6 4.914 3.964 -1.366 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.303 3.955 -1.364 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.266 4.876 -2.191 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.025 4.829 -2.155 1.00 0.00 C ATOM 81 CE2 TYR A 6 4.979 5.752 -2.986 1.00 0.00 C ATOM 82 CZ TYR A 6 6.358 5.723 -2.965 1.00 0.00 C ATOM 83 OH TYR A 6 7.074 6.593 -3.756 1.00 0.00 O ATOM 0 H TYR A 6 2.115 2.566 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 6 4.738 1.353 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.179 3.468 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.675 2.832 0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.828 3.253 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.186 4.900 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.105 4.812 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.460 6.455 -3.620 1.00 0.00 H new ATOM 0 HH TYR A 6 6.502 6.923 -4.480 1.00 0.00 H new ATOM 93 N ALA A 7 4.449 -0.383 -0.023 1.00 0.00 N ATOM 94 CA ALA A 7 4.288 -1.464 0.944 1.00 0.00 C ATOM 95 C ALA A 7 5.306 -1.342 2.072 1.00 0.00 C ATOM 96 O ALA A 7 6.509 -1.239 1.829 1.00 0.00 O ATOM 97 CB ALA A 7 4.422 -2.813 0.254 1.00 0.00 C ATOM 0 H ALA A 7 5.290 -0.452 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 7 3.291 -1.388 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.300 -3.610 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.655 -2.906 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.407 -2.890 -0.205 1.00 0.00 H new ATOM 103 N VAL A 8 4.818 -1.354 3.309 1.00 0.00 N ATOM 104 CA VAL A 8 5.686 -1.243 4.475 1.00 0.00 C ATOM 105 C VAL A 8 5.785 -2.572 5.213 1.00 0.00 C ATOM 106 O VAL A 8 4.934 -3.448 5.065 1.00 0.00 O ATOM 107 CB VAL A 8 5.191 -0.143 5.441 1.00 0.00 C ATOM 108 CG1 VAL A 8 3.681 -0.209 5.608 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.883 -0.227 6.797 1.00 0.00 C ATOM 0 H VAL A 8 3.826 -1.440 3.529 1.00 0.00 H new ATOM 0 HA VAL A 8 6.677 -0.967 4.114 1.00 0.00 H new ATOM 0 HB VAL A 8 5.451 0.818 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.356 0.575 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.201 -0.067 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.402 -1.182 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.507 0.563 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.679 -1.197 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.958 -0.107 6.665 1.00 0.00 H new ATOM 119 N HIS A 9 6.835 -2.704 6.011 1.00 0.00 N ATOM 120 CA HIS A 9 7.064 -3.918 6.786 1.00 0.00 C ATOM 121 C HIS A 9 6.274 -3.886 8.091 1.00 0.00 C ATOM 122 O HIS A 9 6.232 -2.865 8.776 1.00 0.00 O ATOM 123 CB HIS A 9 8.556 -4.085 7.084 1.00 0.00 C ATOM 124 CG HIS A 9 9.356 -4.541 5.904 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.806 -3.863 4.821 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.786 -5.842 5.744 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 10.494 -4.757 4.038 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.467 -5.944 4.616 1.00 0.00 N flip ATOM 0 H HIS A 9 7.545 -1.983 6.140 1.00 0.00 H new ATOM 0 HA HIS A 9 6.722 -4.767 6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.956 -3.135 7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.678 -4.804 7.894 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.661 -2.873 4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.596 -6.651 6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.979 -4.527 3.101 1.00 0.00 H new ATOM 137 N THR A 10 5.651 -5.010 8.427 1.00 0.00 N ATOM 138 CA THR A 10 4.862 -5.109 9.651 1.00 0.00 C ATOM 139 C THR A 10 5.004 -6.491 10.282 1.00 0.00 C ATOM 140 O THR A 10 5.238 -7.480 9.587 1.00 0.00 O ATOM 141 CB THR A 10 3.390 -4.821 9.356 1.00 0.00 C ATOM 142 OG1 THR A 10 2.792 -5.909 8.674 1.00 0.00 O ATOM 143 CG2 THR A 10 3.179 -3.580 8.514 1.00 0.00 C ATOM 0 H THR A 10 5.676 -5.864 7.871 1.00 0.00 H new ATOM 0 HA THR A 10 5.238 -4.368 10.356 1.00 0.00 H new ATOM 0 HB THR A 10 2.927 -4.663 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.075 -5.577 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.113 -3.434 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.584 -2.713 9.036 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.688 -3.699 7.557 1.00 0.00 H new ATOM 151 N LEU A 11 4.859 -6.551 11.601 1.00 0.00 N ATOM 152 CA LEU A 11 4.968 -7.812 12.325 1.00 0.00 C ATOM 153 C LEU A 11 3.660 -8.596 12.246 1.00 0.00 C ATOM 154 O LEU A 11 2.577 -8.031 12.394 1.00 0.00 O ATOM 155 CB LEU A 11 5.336 -7.553 13.787 1.00 0.00 C ATOM 156 CG LEU A 11 6.660 -6.818 14.002 1.00 0.00 C ATOM 157 CD1 LEU A 11 6.892 -6.559 15.481 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.812 -7.615 13.410 1.00 0.00 C ATOM 0 H LEU A 11 4.666 -5.741 12.191 1.00 0.00 H new ATOM 0 HA LEU A 11 5.755 -8.406 11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.537 -6.973 14.249 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.380 -8.509 14.309 1.00 0.00 H new ATOM 0 HG LEU A 11 6.609 -5.857 13.491 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.839 -6.035 15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.080 -5.947 15.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.924 -7.508 16.016 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.747 -7.078 13.572 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.866 -8.591 13.893 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.650 -7.748 12.340 1.00 0.00 H new ATOM 170 N VAL A 12 3.772 -9.899 12.010 1.00 0.00 N ATOM 171 CA VAL A 12 2.600 -10.761 11.909 1.00 0.00 C ATOM 172 C VAL A 12 1.755 -10.697 13.178 1.00 0.00 C ATOM 173 O VAL A 12 2.173 -11.163 14.238 1.00 0.00 O ATOM 174 CB VAL A 12 3.001 -12.224 11.646 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.438 -12.407 10.203 1.00 0.00 C ATOM 176 CG2 VAL A 12 4.102 -12.657 12.603 1.00 0.00 C ATOM 0 H VAL A 12 4.662 -10.381 11.885 1.00 0.00 H new ATOM 0 HA VAL A 12 2.012 -10.395 11.067 1.00 0.00 H new ATOM 0 HB VAL A 12 2.130 -12.856 11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.718 -13.447 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.617 -12.141 9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.294 -11.764 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.372 -13.694 12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.976 -12.021 12.464 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.748 -12.567 13.630 1.00 0.00 H new ATOM 186 N GLY A 13 0.564 -10.117 13.062 1.00 0.00 N ATOM 187 CA GLY A 13 -0.321 -10.005 14.206 1.00 0.00 C ATOM 188 C GLY A 13 -0.421 -8.585 14.732 1.00 0.00 C ATOM 189 O GLY A 13 -1.376 -8.243 15.430 1.00 0.00 O ATOM 0 H GLY A 13 0.197 -9.723 12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.315 -10.356 13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.036 -10.659 15.002 1.00 0.00 H new ATOM 193 N GLN A 14 0.565 -7.758 14.403 1.00 0.00 N ATOM 194 CA GLN A 14 0.578 -6.370 14.852 1.00 0.00 C ATOM 195 C GLN A 14 0.155 -5.420 13.732 1.00 0.00 C ATOM 196 O GLN A 14 -0.192 -4.266 13.986 1.00 0.00 O ATOM 197 CB GLN A 14 1.972 -5.991 15.358 1.00 0.00 C ATOM 198 CG GLN A 14 2.124 -6.114 16.866 1.00 0.00 C ATOM 199 CD GLN A 14 3.076 -7.223 17.269 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.143 -7.387 16.677 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.694 -7.993 18.282 1.00 0.00 N ATOM 0 H GLN A 14 1.365 -8.024 13.828 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.140 -6.276 15.667 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.712 -6.628 14.873 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.191 -4.965 15.061 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.484 -5.167 17.269 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.147 -6.300 17.312 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.801 -7.822 18.744 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.294 -8.756 18.597 1.00 0.00 H new ATOM 210 N GLU A 15 0.187 -5.906 12.493 1.00 0.00 N ATOM 211 CA GLU A 15 -0.193 -5.093 11.342 1.00 0.00 C ATOM 212 C GLU A 15 -1.588 -4.499 11.524 1.00 0.00 C ATOM 213 O GLU A 15 -1.863 -3.387 11.076 1.00 0.00 O ATOM 214 CB GLU A 15 -0.143 -5.927 10.061 1.00 0.00 C ATOM 215 CG GLU A 15 -0.883 -7.251 10.165 1.00 0.00 C ATOM 216 CD GLU A 15 -1.772 -7.518 8.965 1.00 0.00 C ATOM 217 OE1 GLU A 15 -2.264 -6.542 8.361 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.972 -8.704 8.629 1.00 0.00 O ATOM 0 H GLU A 15 0.472 -6.858 12.261 1.00 0.00 H new ATOM 0 HA GLU A 15 0.520 -4.273 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.569 -5.346 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.898 -6.122 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.160 -8.060 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.490 -7.254 11.070 1.00 0.00 H new ATOM 225 N GLU A 16 -2.464 -5.250 12.186 1.00 0.00 N ATOM 226 CA GLU A 16 -3.828 -4.794 12.428 1.00 0.00 C ATOM 227 C GLU A 16 -3.837 -3.513 13.253 1.00 0.00 C ATOM 228 O GLU A 16 -4.720 -2.669 13.100 1.00 0.00 O ATOM 229 CB GLU A 16 -4.631 -5.882 13.146 1.00 0.00 C ATOM 230 CG GLU A 16 -3.992 -6.353 14.442 1.00 0.00 C ATOM 231 CD GLU A 16 -4.853 -7.356 15.185 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.079 -7.139 15.269 1.00 0.00 O ATOM 233 OE2 GLU A 16 -4.299 -8.359 15.684 1.00 0.00 O ATOM 0 H GLU A 16 -2.254 -6.174 12.563 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.291 -4.585 11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.630 -5.503 13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.750 -6.735 12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.024 -6.803 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.806 -5.493 15.085 1.00 0.00 H new ATOM 240 N LYS A 17 -2.848 -3.374 14.129 1.00 0.00 N ATOM 241 CA LYS A 17 -2.739 -2.194 14.980 1.00 0.00 C ATOM 242 C LYS A 17 -1.916 -1.103 14.302 1.00 0.00 C ATOM 243 O LYS A 17 -2.083 0.082 14.590 1.00 0.00 O ATOM 244 CB LYS A 17 -2.109 -2.566 16.322 1.00 0.00 C ATOM 245 CG LYS A 17 -2.479 -1.616 17.451 1.00 0.00 C ATOM 246 CD LYS A 17 -2.867 -2.372 18.713 1.00 0.00 C ATOM 247 CE LYS A 17 -4.359 -2.663 18.754 1.00 0.00 C ATOM 248 NZ LYS A 17 -4.636 -4.126 18.808 1.00 0.00 N ATOM 0 H LYS A 17 -2.110 -4.064 14.269 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.744 -1.808 15.152 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.418 -3.576 16.592 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.025 -2.583 16.213 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.637 -0.958 17.665 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.308 -0.981 17.137 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.311 -3.309 18.762 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.585 -1.788 19.589 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.800 -2.177 19.624 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.837 -2.235 17.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.664 -4.284 18.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.237 -4.586 17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.201 -4.530 19.662 1.00 0.00 H new ATOM 262 N ALA A 18 -1.025 -1.509 13.402 1.00 0.00 N ATOM 263 CA ALA A 18 -0.177 -0.565 12.687 1.00 0.00 C ATOM 264 C ALA A 18 -1.011 0.398 11.846 1.00 0.00 C ATOM 265 O ALA A 18 -0.754 1.600 11.825 1.00 0.00 O ATOM 266 CB ALA A 18 0.818 -1.307 11.810 1.00 0.00 C ATOM 0 H ALA A 18 -0.873 -2.486 13.152 1.00 0.00 H new ATOM 0 HA ALA A 18 0.372 0.020 13.425 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.445 -0.588 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.444 -1.947 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.280 -1.919 11.086 1.00 0.00 H new ATOM 272 N LYS A 19 -2.010 -0.142 11.156 1.00 0.00 N ATOM 273 CA LYS A 19 -2.881 0.668 10.312 1.00 0.00 C ATOM 274 C LYS A 19 -3.707 1.639 11.153 1.00 0.00 C ATOM 275 O LYS A 19 -4.052 2.729 10.699 1.00 0.00 O ATOM 276 CB LYS A 19 -3.806 -0.231 9.489 1.00 0.00 C ATOM 277 CG LYS A 19 -3.885 0.161 8.022 1.00 0.00 C ATOM 278 CD LYS A 19 -5.142 0.961 7.725 1.00 0.00 C ATOM 279 CE LYS A 19 -5.258 1.284 6.245 1.00 0.00 C ATOM 280 NZ LYS A 19 -6.666 1.563 5.846 1.00 0.00 N ATOM 0 H LYS A 19 -2.237 -1.136 11.165 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.254 1.248 9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.459 -1.261 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.807 -0.200 9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.007 0.749 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.869 -0.736 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.018 0.397 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.131 1.886 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.637 2.149 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.874 0.449 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.685 2.355 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.074 0.718 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.223 1.812 6.688 1.00 0.00 H new ATOM 294 N ALA A 20 -4.019 1.233 12.379 1.00 0.00 N ATOM 295 CA ALA A 20 -4.805 2.067 13.282 1.00 0.00 C ATOM 296 C ALA A 20 -4.004 3.279 13.748 1.00 0.00 C ATOM 297 O ALA A 20 -4.480 4.412 13.679 1.00 0.00 O ATOM 298 CB ALA A 20 -5.274 1.252 14.478 1.00 0.00 C ATOM 0 H ALA A 20 -3.740 0.333 12.770 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.677 2.428 12.737 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.859 1.886 15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.890 0.422 14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.409 0.863 15.015 1.00 0.00 H new ATOM 304 N ASN A 21 -2.787 3.031 14.219 1.00 0.00 N ATOM 305 CA ASN A 21 -1.920 4.102 14.694 1.00 0.00 C ATOM 306 C ASN A 21 -1.592 5.080 13.571 1.00 0.00 C ATOM 307 O ASN A 21 -1.286 6.247 13.819 1.00 0.00 O ATOM 308 CB ASN A 21 -0.628 3.520 15.271 1.00 0.00 C ATOM 309 CG ASN A 21 -0.740 3.216 16.752 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.002 4.104 17.561 1.00 0.00 O ATOM 311 ND2 ASN A 21 -0.539 1.953 17.113 1.00 0.00 N ATOM 0 H ASN A 21 -2.379 2.098 14.282 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.451 4.643 15.477 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.373 2.606 14.734 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.188 4.224 15.108 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.600 1.688 18.096 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.324 1.249 16.407 1.00 0.00 H new ATOM 318 N LEU A 22 -1.656 4.598 12.333 1.00 0.00 N ATOM 319 CA LEU A 22 -1.366 5.431 11.172 1.00 0.00 C ATOM 320 C LEU A 22 -2.611 6.181 10.710 1.00 0.00 C ATOM 321 O LEU A 22 -2.614 7.408 10.628 1.00 0.00 O ATOM 322 CB LEU A 22 -0.820 4.571 10.029 1.00 0.00 C ATOM 323 CG LEU A 22 -0.555 5.323 8.722 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.694 6.183 8.843 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.422 4.345 7.564 1.00 0.00 C ATOM 0 H LEU A 22 -1.906 3.635 12.109 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.613 6.164 11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.109 4.105 10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.528 3.766 9.830 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.403 5.979 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.866 6.709 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.560 6.908 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.552 5.549 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.234 4.896 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.408 3.665 7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.344 3.773 7.463 1.00 0.00 H new ATOM 337 N GLU A 23 -3.671 5.431 10.409 1.00 0.00 N ATOM 338 CA GLU A 23 -4.928 6.020 9.950 1.00 0.00 C ATOM 339 C GLU A 23 -5.332 7.215 10.812 1.00 0.00 C ATOM 340 O GLU A 23 -5.853 8.208 10.306 1.00 0.00 O ATOM 341 CB GLU A 23 -6.039 4.969 9.966 1.00 0.00 C ATOM 342 CG GLU A 23 -6.156 4.189 8.666 1.00 0.00 C ATOM 343 CD GLU A 23 -7.007 4.901 7.633 1.00 0.00 C ATOM 344 OE1 GLU A 23 -6.590 5.982 7.164 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.089 4.380 7.294 1.00 0.00 O ATOM 0 H GLU A 23 -3.684 4.413 10.475 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.778 6.373 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.857 4.272 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.990 5.460 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.160 4.021 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.586 3.209 8.872 1.00 0.00 H new ATOM 352 N LYS A 24 -5.085 7.113 12.113 1.00 0.00 N ATOM 353 CA LYS A 24 -5.421 8.189 13.039 1.00 0.00 C ATOM 354 C LYS A 24 -4.495 9.383 12.838 1.00 0.00 C ATOM 355 O LYS A 24 -4.904 10.533 12.999 1.00 0.00 O ATOM 356 CB LYS A 24 -5.336 7.697 14.485 1.00 0.00 C ATOM 357 CG LYS A 24 -3.981 7.107 14.847 1.00 0.00 C ATOM 358 CD LYS A 24 -3.242 7.977 15.850 1.00 0.00 C ATOM 359 CE LYS A 24 -3.952 8.002 17.195 1.00 0.00 C ATOM 360 NZ LYS A 24 -3.199 8.793 18.207 1.00 0.00 N ATOM 0 H LYS A 24 -4.654 6.298 12.550 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.444 8.505 12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.553 8.528 15.156 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.107 6.944 14.650 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.117 6.108 15.262 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.378 6.998 13.945 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.227 7.602 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.160 8.992 15.462 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.949 8.426 17.071 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.082 6.982 17.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.716 8.785 19.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.257 8.374 18.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.097 9.773 17.875 1.00 0.00 H new ATOM 374 N ARG A 25 -3.247 9.102 12.481 1.00 0.00 N ATOM 375 CA ARG A 25 -2.264 10.152 12.253 1.00 0.00 C ATOM 376 C ARG A 25 -2.513 10.840 10.915 1.00 0.00 C ATOM 377 O ARG A 25 -2.265 12.036 10.763 1.00 0.00 O ATOM 378 CB ARG A 25 -0.847 9.573 12.288 1.00 0.00 C ATOM 379 CG ARG A 25 -0.338 9.300 13.694 1.00 0.00 C ATOM 380 CD ARG A 25 -0.407 10.543 14.566 1.00 0.00 C ATOM 381 NE ARG A 25 0.775 10.687 15.412 1.00 0.00 N ATOM 382 CZ ARG A 25 1.061 9.878 16.429 1.00 0.00 C ATOM 383 NH1 ARG A 25 0.257 8.865 16.728 1.00 0.00 N ATOM 384 NH2 ARG A 25 2.156 10.080 17.151 1.00 0.00 N ATOM 0 H ARG A 25 -2.893 8.155 12.343 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.363 10.891 13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.828 8.645 11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.167 10.266 11.792 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.929 8.504 14.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.692 8.945 13.646 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.509 11.424 13.933 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.297 10.497 15.193 1.00 0.00 H new ATOM 0 HE ARG A 25 1.419 11.452 15.211 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.586 8.703 16.177 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.482 8.249 17.509 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.779 10.856 16.926 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.375 9.459 17.930 1.00 0.00 H new ATOM 398 N ILE A 26 -3.014 10.076 9.949 1.00 0.00 N ATOM 399 CA ILE A 26 -3.306 10.608 8.624 1.00 0.00 C ATOM 400 C ILE A 26 -4.506 11.548 8.672 1.00 0.00 C ATOM 401 O ILE A 26 -4.591 12.504 7.900 1.00 0.00 O ATOM 402 CB ILE A 26 -3.581 9.477 7.612 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.416 8.486 7.591 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.825 10.049 6.220 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.127 9.076 7.060 1.00 0.00 C ATOM 0 H ILE A 26 -3.226 9.085 10.060 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.426 11.162 8.297 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.480 8.946 7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.247 8.116 8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.692 7.627 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.017 9.235 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.687 10.716 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.946 10.606 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.346 8.316 7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.279 9.421 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.827 9.917 7.685 1.00 0.00 H new ATOM 417 N LYS A 27 -5.433 11.271 9.583 1.00 0.00 N ATOM 418 CA LYS A 27 -6.629 12.094 9.734 1.00 0.00 C ATOM 419 C LYS A 27 -6.347 13.303 10.620 1.00 0.00 C ATOM 420 O LYS A 27 -6.953 14.362 10.453 1.00 0.00 O ATOM 421 CB LYS A 27 -7.772 11.269 10.326 1.00 0.00 C ATOM 422 CG LYS A 27 -9.085 12.028 10.420 1.00 0.00 C ATOM 423 CD LYS A 27 -10.260 11.086 10.634 1.00 0.00 C ATOM 424 CE LYS A 27 -10.132 10.326 11.945 1.00 0.00 C ATOM 425 NZ LYS A 27 -10.092 11.244 13.117 1.00 0.00 N ATOM 0 H LYS A 27 -5.380 10.483 10.228 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.922 12.449 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.920 10.378 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.486 10.929 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.036 12.742 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.240 12.603 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.190 11.655 10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.317 10.379 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.972 9.639 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.226 9.721 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.226 10.697 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.171 11.727 13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.851 11.950 13.031 1.00 0.00 H new ATOM 439 N ALA A 28 -5.423 13.138 11.561 1.00 0.00 N ATOM 440 CA ALA A 28 -5.059 14.215 12.473 1.00 0.00 C ATOM 441 C ALA A 28 -4.149 15.228 11.789 1.00 0.00 C ATOM 442 O ALA A 28 -4.310 16.436 11.956 1.00 0.00 O ATOM 443 CB ALA A 28 -4.385 13.651 13.714 1.00 0.00 C ATOM 0 H ALA A 28 -4.913 12.268 11.712 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.972 14.729 12.772 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.119 14.467 14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.069 12.971 14.222 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.484 13.110 13.425 1.00 0.00 H new ATOM 449 N PHE A 29 -3.193 14.725 11.015 1.00 0.00 N ATOM 450 CA PHE A 29 -2.256 15.586 10.302 1.00 0.00 C ATOM 451 C PHE A 29 -2.887 16.144 9.030 1.00 0.00 C ATOM 452 O PHE A 29 -2.493 17.204 8.544 1.00 0.00 O ATOM 453 CB PHE A 29 -0.983 14.810 9.956 1.00 0.00 C ATOM 454 CG PHE A 29 0.049 14.832 11.047 1.00 0.00 C ATOM 455 CD1 PHE A 29 0.933 15.895 11.161 1.00 0.00 C ATOM 456 CD2 PHE A 29 0.135 13.793 11.958 1.00 0.00 C ATOM 457 CE1 PHE A 29 1.883 15.918 12.164 1.00 0.00 C ATOM 458 CE2 PHE A 29 1.084 13.811 12.964 1.00 0.00 C ATOM 459 CZ PHE A 29 1.958 14.875 13.067 1.00 0.00 C ATOM 0 H PHE A 29 -3.047 13.727 10.865 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.000 16.421 10.954 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.246 13.775 9.737 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.548 15.227 9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.878 16.713 10.458 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.547 12.959 11.882 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.566 16.751 12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.141 12.994 13.668 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.699 14.892 13.852 1.00 0.00 H new ATOM 469 N GLY A 30 -3.868 15.424 8.494 1.00 0.00 N ATOM 470 CA GLY A 30 -4.536 15.866 7.284 1.00 0.00 C ATOM 471 C GLY A 30 -3.813 15.422 6.028 1.00 0.00 C ATOM 472 O GLY A 30 -3.281 16.248 5.285 1.00 0.00 O ATOM 0 H GLY A 30 -4.212 14.543 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.554 15.476 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.612 16.953 7.291 1.00 0.00 H new ATOM 476 N LEU A 31 -3.789 14.115 5.793 1.00 0.00 N ATOM 477 CA LEU A 31 -3.122 13.563 4.620 1.00 0.00 C ATOM 478 C LEU A 31 -4.071 12.677 3.818 1.00 0.00 C ATOM 479 O LEU A 31 -3.644 11.725 3.164 1.00 0.00 O ATOM 480 CB LEU A 31 -1.889 12.760 5.042 1.00 0.00 C ATOM 481 CG LEU A 31 -0.998 13.445 6.079 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.412 12.422 7.042 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.108 14.231 5.392 1.00 0.00 C ATOM 0 H LEU A 31 -4.223 13.419 6.399 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.809 14.393 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.218 11.801 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.292 12.546 4.156 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.609 14.141 6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.219 12.929 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.220 11.904 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.185 11.699 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.733 14.712 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.717 13.554 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.333 14.990 4.746 1.00 0.00 H new ATOM 495 N GLN A 32 -5.359 13.001 3.871 1.00 0.00 N ATOM 496 CA GLN A 32 -6.369 12.237 3.146 1.00 0.00 C ATOM 497 C GLN A 32 -6.146 12.334 1.640 1.00 0.00 C ATOM 498 O GLN A 32 -6.550 11.449 0.886 1.00 0.00 O ATOM 499 CB GLN A 32 -7.769 12.737 3.502 1.00 0.00 C ATOM 500 CG GLN A 32 -8.791 11.622 3.660 1.00 0.00 C ATOM 501 CD GLN A 32 -9.024 11.247 5.110 1.00 0.00 C ATOM 502 OE1 GLN A 32 -8.926 10.079 5.486 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.336 12.240 5.936 1.00 0.00 N ATOM 0 H GLN A 32 -5.728 13.786 4.407 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.280 11.191 3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.718 13.306 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.109 13.423 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.735 11.933 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.453 10.743 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.407 13.194 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.505 12.048 6.923 1.00 0.00 H new ATOM 512 N ASP A 33 -5.502 13.415 1.209 1.00 0.00 N ATOM 513 CA ASP A 33 -5.226 13.627 -0.208 1.00 0.00 C ATOM 514 C ASP A 33 -4.009 12.822 -0.665 1.00 0.00 C ATOM 515 O ASP A 33 -3.644 12.851 -1.841 1.00 0.00 O ATOM 516 CB ASP A 33 -5.002 15.113 -0.487 1.00 0.00 C ATOM 517 CG ASP A 33 -6.285 15.836 -0.845 1.00 0.00 C ATOM 518 OD1 ASP A 33 -7.254 15.749 -0.063 1.00 0.00 O ATOM 519 OD2 ASP A 33 -6.321 16.488 -1.911 1.00 0.00 O ATOM 0 H ASP A 33 -5.162 14.157 1.820 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.093 13.281 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.558 15.581 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.287 15.223 -1.303 1.00 0.00 H new ATOM 524 N LYS A 34 -3.381 12.105 0.264 1.00 0.00 N ATOM 525 CA LYS A 34 -2.210 11.297 -0.055 1.00 0.00 C ATOM 526 C LYS A 34 -2.596 9.833 -0.232 1.00 0.00 C ATOM 527 O LYS A 34 -2.375 9.247 -1.293 1.00 0.00 O ATOM 528 CB LYS A 34 -1.156 11.432 1.045 1.00 0.00 C ATOM 529 CG LYS A 34 -0.195 12.588 0.826 1.00 0.00 C ATOM 530 CD LYS A 34 -0.933 13.911 0.702 1.00 0.00 C ATOM 531 CE LYS A 34 0.013 15.093 0.828 1.00 0.00 C ATOM 532 NZ LYS A 34 -0.630 16.249 1.512 1.00 0.00 N ATOM 0 H LYS A 34 -3.665 12.068 1.243 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.791 11.660 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.658 11.564 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.587 10.504 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.509 12.639 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.390 12.410 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.444 13.954 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.700 13.974 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.900 14.790 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.347 15.398 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.104 16.896 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.242 16.754 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.202 15.906 2.310 1.00 0.00 H new ATOM 546 N ILE A 35 -3.178 9.249 0.810 1.00 0.00 N ATOM 547 CA ILE A 35 -3.598 7.854 0.765 1.00 0.00 C ATOM 548 C ILE A 35 -4.946 7.713 0.066 1.00 0.00 C ATOM 549 O ILE A 35 -5.883 8.457 0.353 1.00 0.00 O ATOM 550 CB ILE A 35 -3.702 7.251 2.180 1.00 0.00 C ATOM 551 CG1 ILE A 35 -2.428 7.537 2.977 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.960 5.754 2.100 1.00 0.00 C ATOM 553 CD1 ILE A 35 -2.501 7.076 4.417 1.00 0.00 C ATOM 0 H ILE A 35 -3.369 9.720 1.695 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.838 7.311 0.203 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.541 7.717 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.586 7.047 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.229 8.608 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.031 5.343 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.894 5.574 1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.140 5.271 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.564 7.311 4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.322 7.585 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.669 5.999 4.446 1.00 0.00 H new ATOM 565 N PHE A 36 -5.038 6.758 -0.855 1.00 0.00 N ATOM 566 CA PHE A 36 -6.277 6.530 -1.592 1.00 0.00 C ATOM 567 C PHE A 36 -6.709 5.072 -1.505 1.00 0.00 C ATOM 568 O PHE A 36 -7.862 4.774 -1.199 1.00 0.00 O ATOM 569 CB PHE A 36 -6.114 6.924 -3.064 1.00 0.00 C ATOM 570 CG PHE A 36 -5.192 8.088 -3.287 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.570 9.370 -2.922 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.948 7.898 -3.865 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.723 10.441 -3.128 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.096 8.965 -4.074 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.484 10.239 -3.706 1.00 0.00 C ATOM 0 H PHE A 36 -4.273 6.132 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.046 7.153 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.739 6.065 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.094 7.166 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.538 9.533 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.640 6.904 -4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.028 11.435 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.128 8.804 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.820 11.075 -3.870 1.00 0.00 H new ATOM 585 N GLN A 37 -5.779 4.164 -1.792 1.00 0.00 N ATOM 586 CA GLN A 37 -6.080 2.737 -1.760 1.00 0.00 C ATOM 587 C GLN A 37 -5.253 2.009 -0.702 1.00 0.00 C ATOM 588 O GLN A 37 -4.183 2.468 -0.305 1.00 0.00 O ATOM 589 CB GLN A 37 -5.827 2.119 -3.138 1.00 0.00 C ATOM 590 CG GLN A 37 -7.079 1.583 -3.808 1.00 0.00 C ATOM 591 CD GLN A 37 -7.072 1.802 -5.308 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.252 2.923 -5.785 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.866 0.728 -6.063 1.00 0.00 N ATOM 0 H GLN A 37 -4.818 4.390 -2.047 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.132 2.624 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.373 2.870 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.106 1.308 -3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.171 0.517 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.954 2.069 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.721 -0.182 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.853 0.814 -7.079 1.00 0.00 H new ATOM 602 N VAL A 38 -5.765 0.863 -0.260 1.00 0.00 N ATOM 603 CA VAL A 38 -5.093 0.046 0.744 1.00 0.00 C ATOM 604 C VAL A 38 -5.616 -1.386 0.695 1.00 0.00 C ATOM 605 O VAL A 38 -6.790 -1.634 0.977 1.00 0.00 O ATOM 606 CB VAL A 38 -5.296 0.608 2.164 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.401 1.815 2.395 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.756 0.966 2.397 1.00 0.00 C ATOM 0 H VAL A 38 -6.651 0.477 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.027 0.062 0.515 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.018 -0.165 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.559 2.197 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.358 1.522 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.644 2.592 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.877 1.361 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.066 1.719 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.372 0.075 2.280 1.00 0.00 H new ATOM 618 N LEU A 39 -4.752 -2.324 0.321 1.00 0.00 N ATOM 619 CA LEU A 39 -5.153 -3.723 0.222 1.00 0.00 C ATOM 620 C LEU A 39 -4.187 -4.650 0.956 1.00 0.00 C ATOM 621 O LEU A 39 -3.168 -4.217 1.498 1.00 0.00 O ATOM 622 CB LEU A 39 -5.240 -4.141 -1.250 1.00 0.00 C ATOM 623 CG LEU A 39 -6.595 -3.900 -1.916 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.670 -4.759 -1.267 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.968 -2.426 -1.841 1.00 0.00 C ATOM 0 H LEU A 39 -3.777 -2.143 0.083 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.131 -3.814 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.477 -3.601 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.000 -5.202 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.520 -4.183 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.627 -4.574 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.407 -5.812 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.747 -4.508 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.935 -2.271 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.026 -2.118 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.210 -1.832 -2.353 1.00 0.00 H new ATOM 637 N ILE A 40 -4.527 -5.936 0.951 1.00 0.00 N ATOM 638 CA ILE A 40 -3.718 -6.964 1.591 1.00 0.00 C ATOM 639 C ILE A 40 -3.858 -8.280 0.830 1.00 0.00 C ATOM 640 O ILE A 40 -4.541 -9.201 1.278 1.00 0.00 O ATOM 641 CB ILE A 40 -4.128 -7.177 3.060 1.00 0.00 C ATOM 642 CG1 ILE A 40 -4.203 -5.836 3.791 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.148 -8.115 3.753 1.00 0.00 C ATOM 644 CD1 ILE A 40 -4.600 -5.960 5.247 1.00 0.00 C ATOM 0 H ILE A 40 -5.371 -6.293 0.503 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.681 -6.630 1.573 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.116 -7.636 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.233 -5.343 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.921 -5.193 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.451 -8.256 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.143 -9.078 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.148 -7.683 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.633 -4.970 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.584 -6.424 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.870 -6.576 5.772 1.00 0.00 H new ATOM 656 N PRO A 41 -3.221 -8.372 -0.350 1.00 0.00 N ATOM 657 CA PRO A 41 -3.281 -9.562 -1.203 1.00 0.00 C ATOM 658 C PRO A 41 -3.178 -10.873 -0.430 1.00 0.00 C ATOM 659 O PRO A 41 -2.135 -11.194 0.149 1.00 0.00 O ATOM 660 CB PRO A 41 -2.077 -9.382 -2.119 1.00 0.00 C ATOM 661 CG PRO A 41 -1.934 -7.908 -2.261 1.00 0.00 C ATOM 662 CD PRO A 41 -2.401 -7.305 -0.960 1.00 0.00 C ATOM 0 HA PRO A 41 -4.237 -9.637 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.181 -9.828 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.238 -9.860 -3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.898 -7.637 -2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.530 -7.539 -3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.561 -7.032 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.983 -6.399 -1.126 1.00 0.00 H new ATOM 670 N THR A 42 -4.271 -11.634 -0.448 1.00 0.00 N ATOM 671 CA THR A 42 -4.333 -12.925 0.226 1.00 0.00 C ATOM 672 C THR A 42 -4.825 -13.997 -0.741 1.00 0.00 C ATOM 673 O THR A 42 -5.859 -13.832 -1.388 1.00 0.00 O ATOM 674 CB THR A 42 -5.259 -12.851 1.441 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.612 -12.731 1.036 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.950 -11.686 2.359 1.00 0.00 C ATOM 0 H THR A 42 -5.132 -11.373 -0.928 1.00 0.00 H new ATOM 0 HA THR A 42 -3.331 -13.186 0.568 1.00 0.00 H new ATOM 0 HB THR A 42 -5.092 -13.779 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.704 -13.037 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.643 -11.692 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.929 -11.776 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.055 -10.751 1.809 1.00 0.00 H new ATOM 948 N LYS A 59 -4.354 -17.863 2.338 1.00 0.00 N ATOM 949 CA LYS A 59 -2.957 -17.639 2.689 1.00 0.00 C ATOM 950 C LYS A 59 -2.488 -16.277 2.191 1.00 0.00 C ATOM 951 O LYS A 59 -2.458 -16.020 0.987 1.00 0.00 O ATOM 952 CB LYS A 59 -2.077 -18.743 2.103 1.00 0.00 C ATOM 953 CG LYS A 59 -2.242 -18.924 0.603 1.00 0.00 C ATOM 954 CD LYS A 59 -1.372 -20.054 0.079 1.00 0.00 C ATOM 955 CE LYS A 59 0.091 -19.646 0.016 1.00 0.00 C ATOM 956 NZ LYS A 59 0.508 -19.278 -1.365 1.00 0.00 N ATOM 0 HA LYS A 59 -2.871 -17.659 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.033 -18.517 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.310 -19.684 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.287 -19.132 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.982 -17.997 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.480 -20.927 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.713 -20.347 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.261 -18.801 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.712 -20.466 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.512 -19.006 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.370 -20.092 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.067 -18.478 -1.700 1.00 0.00 H new ATOM 970 N LYS A 60 -2.126 -15.404 3.126 1.00 0.00 N ATOM 971 CA LYS A 60 -1.660 -14.067 2.783 1.00 0.00 C ATOM 972 C LYS A 60 -0.451 -14.126 1.855 1.00 0.00 C ATOM 973 O LYS A 60 0.615 -14.606 2.241 1.00 0.00 O ATOM 974 CB LYS A 60 -1.305 -13.288 4.052 1.00 0.00 C ATOM 975 CG LYS A 60 -2.518 -12.840 4.849 1.00 0.00 C ATOM 976 CD LYS A 60 -2.749 -13.729 6.062 1.00 0.00 C ATOM 977 CE LYS A 60 -1.643 -13.568 7.092 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.191 -14.881 7.631 1.00 0.00 N ATOM 0 H LYS A 60 -2.147 -15.600 4.127 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.468 -13.554 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.674 -13.911 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.717 -12.412 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.380 -11.809 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.401 -12.858 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.709 -13.483 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.803 -14.771 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.797 -13.051 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.998 -12.942 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.436 -14.728 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.992 -15.364 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.829 -15.469 6.854 1.00 0.00 H new ATOM 992 N LEU A 61 -0.624 -13.632 0.633 1.00 0.00 N ATOM 993 CA LEU A 61 0.456 -13.625 -0.345 1.00 0.00 C ATOM 994 C LEU A 61 1.618 -12.779 0.157 1.00 0.00 C ATOM 995 O LEU A 61 2.778 -13.178 0.064 1.00 0.00 O ATOM 996 CB LEU A 61 -0.043 -13.081 -1.686 1.00 0.00 C ATOM 997 CG LEU A 61 -0.710 -14.113 -2.596 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.327 -13.435 -3.810 1.00 0.00 C ATOM 999 CD2 LEU A 61 0.295 -15.172 -3.027 1.00 0.00 C ATOM 0 H LEU A 61 -1.500 -13.232 0.298 1.00 0.00 H new ATOM 0 HA LEU A 61 0.800 -14.650 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.753 -12.277 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.800 -12.641 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.506 -14.603 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.797 -14.185 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.077 -12.715 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.549 -12.918 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.197 -15.898 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.113 -14.698 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.689 -15.679 -2.146 1.00 0.00 H new ATOM 1011 N PHE A 62 1.294 -11.609 0.697 1.00 0.00 N ATOM 1012 CA PHE A 62 2.309 -10.703 1.223 1.00 0.00 C ATOM 1013 C PHE A 62 2.143 -10.529 2.731 1.00 0.00 C ATOM 1014 O PHE A 62 1.628 -9.509 3.193 1.00 0.00 O ATOM 1015 CB PHE A 62 2.228 -9.344 0.523 1.00 0.00 C ATOM 1016 CG PHE A 62 2.267 -9.434 -0.979 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.252 -10.069 -1.675 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.317 -8.877 -1.691 1.00 0.00 C ATOM 1019 CE1 PHE A 62 1.283 -10.150 -3.055 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.354 -8.956 -3.071 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.334 -9.593 -3.754 1.00 0.00 C ATOM 0 H PHE A 62 0.337 -11.266 0.782 1.00 0.00 H new ATOM 0 HA PHE A 62 3.289 -11.138 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.307 -8.844 0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.055 -8.720 0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.426 -10.506 -1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.115 -8.376 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.485 -10.649 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.179 -8.520 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.360 -9.654 -4.832 1.00 0.00 H new ATOM 1031 N PRO A 63 2.575 -11.529 3.520 1.00 0.00 N ATOM 1032 CA PRO A 63 2.469 -11.486 4.982 1.00 0.00 C ATOM 1033 C PRO A 63 3.388 -10.439 5.601 1.00 0.00 C ATOM 1034 O PRO A 63 4.588 -10.410 5.328 1.00 0.00 O ATOM 1035 CB PRO A 63 2.893 -12.890 5.414 1.00 0.00 C ATOM 1036 CG PRO A 63 3.755 -13.385 4.305 1.00 0.00 C ATOM 1037 CD PRO A 63 3.200 -12.778 3.047 1.00 0.00 C ATOM 0 HA PRO A 63 1.465 -11.211 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.438 -12.866 6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.028 -13.537 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.793 -13.089 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.738 -14.474 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.984 -12.583 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.474 -13.436 2.570 1.00 0.00 H new ATOM 1045 N GLY A 64 2.814 -9.578 6.436 1.00 0.00 N ATOM 1046 CA GLY A 64 3.594 -8.540 7.082 1.00 0.00 C ATOM 1047 C GLY A 64 3.876 -7.366 6.163 1.00 0.00 C ATOM 1048 O GLY A 64 4.796 -6.586 6.408 1.00 0.00 O ATOM 0 H GLY A 64 1.823 -9.581 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.061 -8.186 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.538 -8.962 7.427 1.00 0.00 H new ATOM 1052 N TYR A 65 3.082 -7.238 5.103 1.00 0.00 N ATOM 1053 CA TYR A 65 3.255 -6.150 4.148 1.00 0.00 C ATOM 1054 C TYR A 65 1.938 -5.420 3.908 1.00 0.00 C ATOM 1055 O TYR A 65 1.014 -5.967 3.306 1.00 0.00 O ATOM 1056 CB TYR A 65 3.798 -6.685 2.823 1.00 0.00 C ATOM 1057 CG TYR A 65 5.282 -6.977 2.847 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.767 -8.165 3.377 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.197 -6.064 2.338 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.123 -8.436 3.401 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.554 -6.328 2.357 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.010 -7.514 2.890 1.00 0.00 C ATOM 1063 OH TYR A 65 9.361 -7.781 2.910 1.00 0.00 O ATOM 0 H TYR A 65 2.314 -7.873 4.885 1.00 0.00 H new ATOM 0 HA TYR A 65 3.971 -5.445 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.261 -7.597 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.592 -5.959 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.074 -8.890 3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.843 -5.133 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.484 -9.365 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.253 -5.609 1.956 1.00 0.00 H new ATOM 0 HH TYR A 65 9.774 -7.323 3.672 1.00 0.00 H new ATOM 1073 N LEU A 66 1.863 -4.179 4.378 1.00 0.00 N ATOM 1074 CA LEU A 66 0.661 -3.371 4.210 1.00 0.00 C ATOM 1075 C LEU A 66 0.739 -2.558 2.921 1.00 0.00 C ATOM 1076 O LEU A 66 1.590 -1.680 2.782 1.00 0.00 O ATOM 1077 CB LEU A 66 0.475 -2.436 5.407 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.198 -3.069 6.626 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -0.277 -2.070 7.769 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.585 -3.578 6.261 1.00 0.00 C ATOM 0 H LEU A 66 2.620 -3.712 4.878 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.196 -4.041 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.452 -2.056 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.117 -1.578 5.089 1.00 0.00 H new ATOM 0 HG LEU A 66 0.404 -3.916 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.759 -2.537 8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.729 -1.753 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.858 -1.203 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.051 -4.026 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.197 -2.747 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.502 -4.326 5.473 1.00 0.00 H new ATOM 1092 N PHE A 67 -0.152 -2.858 1.981 1.00 0.00 N ATOM 1093 CA PHE A 67 -0.173 -2.153 0.705 1.00 0.00 C ATOM 1094 C PHE A 67 -0.926 -0.835 0.823 1.00 0.00 C ATOM 1095 O PHE A 67 -2.093 -0.806 1.216 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.815 -3.034 -0.370 1.00 0.00 C ATOM 1097 CG PHE A 67 0.128 -4.022 -1.005 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.419 -4.206 -0.523 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.283 -4.771 -2.092 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.272 -5.116 -1.117 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.566 -5.681 -2.689 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.843 -5.854 -2.203 1.00 0.00 C ATOM 0 H PHE A 67 -0.865 -3.581 2.078 1.00 0.00 H new ATOM 0 HA PHE A 67 0.855 -1.932 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.649 -3.578 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.230 -2.393 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.759 -3.631 0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.283 -4.642 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.272 -5.250 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.229 -6.258 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.508 -6.565 -2.670 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.250 0.258 0.486 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.853 1.583 0.557 1.00 0.00 C ATOM 1114 C ILE A 68 -0.672 2.341 -0.752 1.00 0.00 C ATOM 1115 O ILE A 68 0.437 2.748 -1.096 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.248 2.419 1.704 1.00 0.00 C ATOM 1117 CG1 ILE A 68 -0.137 1.582 2.981 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.084 3.666 1.948 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.289 1.373 3.444 1.00 0.00 C ATOM 0 H ILE A 68 0.717 0.252 0.161 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.916 1.433 0.746 1.00 0.00 H new ATOM 0 HB ILE A 68 0.756 2.729 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.701 2.070 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.601 0.611 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.645 4.245 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.108 4.271 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.100 3.376 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.292 0.772 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.852 0.857 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.751 2.339 3.646 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.769 2.535 -1.475 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.728 3.252 -2.743 1.00 0.00 C ATOM 1133 C GLN A 69 -1.700 4.757 -2.505 1.00 0.00 C ATOM 1134 O GLN A 69 -2.675 5.460 -2.778 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.936 2.885 -3.606 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.655 2.934 -5.099 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.915 2.824 -5.933 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.087 1.874 -6.698 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.809 3.797 -5.792 1.00 0.00 N ATOM 0 H GLN A 69 -2.696 2.206 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.818 2.961 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.270 1.882 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.756 3.566 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.146 3.867 -5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.976 2.123 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.628 4.566 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.676 3.774 -6.328 1.00 0.00 H new ATOM 1148 N MET A 70 -0.575 5.243 -1.987 1.00 0.00 N ATOM 1149 CA MET A 70 -0.413 6.666 -1.706 1.00 0.00 C ATOM 1150 C MET A 70 0.184 7.394 -2.905 1.00 0.00 C ATOM 1151 O MET A 70 0.433 6.791 -3.949 1.00 0.00 O ATOM 1152 CB MET A 70 0.468 6.872 -0.470 1.00 0.00 C ATOM 1153 CG MET A 70 1.834 6.214 -0.572 1.00 0.00 C ATOM 1154 SD MET A 70 2.785 6.355 0.954 1.00 0.00 S ATOM 1155 CE MET A 70 1.629 5.672 2.139 1.00 0.00 C ATOM 0 H MET A 70 0.237 4.672 -1.754 1.00 0.00 H new ATOM 0 HA MET A 70 -1.400 7.084 -1.508 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.602 7.941 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.050 6.477 0.404 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.708 5.160 -0.822 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.394 6.671 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.159 5.410 3.055 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.859 6.410 2.364 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.164 4.779 1.721 1.00 0.00 H new ATOM 1165 N ASP A 71 0.413 8.695 -2.749 1.00 0.00 N ATOM 1166 CA ASP A 71 0.983 9.505 -3.820 1.00 0.00 C ATOM 1167 C ASP A 71 2.309 10.125 -3.393 1.00 0.00 C ATOM 1168 O ASP A 71 2.336 11.148 -2.711 1.00 0.00 O ATOM 1169 CB ASP A 71 0.004 10.606 -4.230 1.00 0.00 C ATOM 1170 CG ASP A 71 0.011 10.860 -5.725 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.439 9.960 -6.478 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.410 11.959 -6.144 1.00 0.00 O ATOM 0 H ASP A 71 0.213 9.210 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 71 1.167 8.852 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.002 10.329 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.258 11.528 -3.707 1.00 0.00 H new ATOM 1177 N LEU A 72 3.408 9.499 -3.803 1.00 0.00 N ATOM 1178 CA LEU A 72 4.739 9.991 -3.466 1.00 0.00 C ATOM 1179 C LEU A 72 5.603 10.116 -4.717 1.00 0.00 C ATOM 1180 O LEU A 72 6.307 11.108 -4.900 1.00 0.00 O ATOM 1181 CB LEU A 72 5.414 9.061 -2.457 1.00 0.00 C ATOM 1182 CG LEU A 72 4.567 8.699 -1.236 1.00 0.00 C ATOM 1183 CD1 LEU A 72 5.326 7.748 -0.325 1.00 0.00 C ATOM 1184 CD2 LEU A 72 4.161 9.955 -0.477 1.00 0.00 C ATOM 0 H LEU A 72 3.403 8.650 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 72 4.630 10.979 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.697 8.141 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.335 9.531 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 72 3.662 8.198 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.709 7.501 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.568 6.836 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.247 8.224 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.559 9.678 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.054 10.483 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.579 10.603 -1.132 1.00 0.00 H new ATOM 1245 N GLU A 77 12.201 14.427 -3.414 1.00 0.00 N ATOM 1246 CA GLU A 77 11.852 14.688 -2.022 1.00 0.00 C ATOM 1247 C GLU A 77 10.424 14.230 -1.723 1.00 0.00 C ATOM 1248 O GLU A 77 9.462 14.867 -2.151 1.00 0.00 O ATOM 1249 CB GLU A 77 11.997 16.178 -1.711 1.00 0.00 C ATOM 1250 CG GLU A 77 11.259 17.078 -2.690 1.00 0.00 C ATOM 1251 CD GLU A 77 10.494 18.189 -1.999 1.00 0.00 C ATOM 1252 OE1 GLU A 77 11.077 18.848 -1.112 1.00 0.00 O ATOM 1253 OE2 GLU A 77 9.313 18.399 -2.343 1.00 0.00 O ATOM 0 HA GLU A 77 12.536 14.123 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.626 16.368 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.055 16.440 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.975 17.514 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.566 16.477 -3.279 1.00 0.00 H new ATOM 1260 N PRO A 78 10.264 13.118 -0.982 1.00 0.00 N ATOM 1261 CA PRO A 78 8.941 12.588 -0.634 1.00 0.00 C ATOM 1262 C PRO A 78 8.028 13.654 -0.036 1.00 0.00 C ATOM 1263 O PRO A 78 8.457 14.778 0.223 1.00 0.00 O ATOM 1264 CB PRO A 78 9.252 11.508 0.403 1.00 0.00 C ATOM 1265 CG PRO A 78 10.640 11.070 0.086 1.00 0.00 C ATOM 1266 CD PRO A 78 11.354 12.291 -0.427 1.00 0.00 C ATOM 0 HA PRO A 78 8.408 12.216 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.182 11.901 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.549 10.678 0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.135 10.672 0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.638 10.277 -0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.886 12.810 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.091 12.035 -1.188 1.00 0.00 H new ATOM 1274 N ASN A 79 6.766 13.294 0.177 1.00 0.00 N ATOM 1275 CA ASN A 79 5.793 14.220 0.742 1.00 0.00 C ATOM 1276 C ASN A 79 5.870 14.232 2.266 1.00 0.00 C ATOM 1277 O ASN A 79 6.670 13.511 2.862 1.00 0.00 O ATOM 1278 CB ASN A 79 4.379 13.841 0.295 1.00 0.00 C ATOM 1279 CG ASN A 79 4.218 13.896 -1.212 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.473 12.918 -1.913 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.789 15.047 -1.719 1.00 0.00 N ATOM 0 H ASN A 79 6.394 12.368 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 79 6.028 15.220 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.146 12.836 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.660 14.516 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.660 15.144 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.589 15.834 -1.101 1.00 0.00 H new ATOM 1288 N GLU A 80 5.035 15.057 2.889 1.00 0.00 N ATOM 1289 CA GLU A 80 5.009 15.166 4.344 1.00 0.00 C ATOM 1290 C GLU A 80 4.477 13.886 4.981 1.00 0.00 C ATOM 1291 O GLU A 80 4.789 13.581 6.133 1.00 0.00 O ATOM 1292 CB GLU A 80 4.147 16.357 4.770 1.00 0.00 C ATOM 1293 CG GLU A 80 2.686 16.227 4.373 1.00 0.00 C ATOM 1294 CD GLU A 80 2.381 16.897 3.048 1.00 0.00 C ATOM 1295 OE1 GLU A 80 2.997 16.510 2.032 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.527 17.807 3.025 1.00 0.00 O ATOM 0 H GLU A 80 4.367 15.660 2.409 1.00 0.00 H new ATOM 0 HA GLU A 80 6.031 15.321 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.211 16.472 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.555 17.266 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.423 15.171 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.061 16.667 5.151 1.00 0.00 H new ATOM 1303 N ALA A 81 3.674 13.138 4.229 1.00 0.00 N ATOM 1304 CA ALA A 81 3.101 11.891 4.726 1.00 0.00 C ATOM 1305 C ALA A 81 4.184 10.962 5.267 1.00 0.00 C ATOM 1306 O ALA A 81 3.933 10.157 6.166 1.00 0.00 O ATOM 1307 CB ALA A 81 2.312 11.199 3.625 1.00 0.00 C ATOM 0 H ALA A 81 3.406 13.374 3.274 1.00 0.00 H new ATOM 0 HA ALA A 81 2.426 12.133 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.890 10.270 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.507 11.852 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.973 10.978 2.787 1.00 0.00 H new ATOM 1313 N TRP A 82 5.388 11.078 4.716 1.00 0.00 N ATOM 1314 CA TRP A 82 6.508 10.248 5.143 1.00 0.00 C ATOM 1315 C TRP A 82 6.870 10.529 6.598 1.00 0.00 C ATOM 1316 O TRP A 82 7.024 9.608 7.398 1.00 0.00 O ATOM 1317 CB TRP A 82 7.722 10.494 4.246 1.00 0.00 C ATOM 1318 CG TRP A 82 8.763 9.420 4.346 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.099 9.593 4.562 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.552 8.009 4.233 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.733 8.374 4.592 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.804 7.386 4.393 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.425 7.209 4.014 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.961 6.004 4.340 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.583 5.837 3.960 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.842 5.246 4.124 1.00 0.00 C ATOM 0 H TRP A 82 5.613 11.739 3.973 1.00 0.00 H new ATOM 0 HA TRP A 82 6.208 9.204 5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.390 10.572 3.211 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.172 11.451 4.510 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.587 10.548 4.691 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.732 8.228 4.738 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.450 7.655 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.931 5.546 4.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.721 5.210 3.788 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.932 4.171 4.079 1.00 0.00 H new ATOM 1337 N GLU A 83 7.004 11.809 6.933 1.00 0.00 N ATOM 1338 CA GLU A 83 7.347 12.213 8.292 1.00 0.00 C ATOM 1339 C GLU A 83 6.310 11.707 9.290 1.00 0.00 C ATOM 1340 O GLU A 83 6.628 11.438 10.449 1.00 0.00 O ATOM 1341 CB GLU A 83 7.459 13.736 8.381 1.00 0.00 C ATOM 1342 CG GLU A 83 8.648 14.304 7.626 1.00 0.00 C ATOM 1343 CD GLU A 83 8.622 15.819 7.552 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.567 16.376 7.187 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.658 16.446 7.859 1.00 0.00 O ATOM 0 H GLU A 83 6.880 12.584 6.282 1.00 0.00 H new ATOM 0 HA GLU A 83 8.311 11.770 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.545 14.182 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.533 14.026 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.569 13.983 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.662 13.895 6.616 1.00 0.00 H new ATOM 1352 N VAL A 84 5.068 11.582 8.835 1.00 0.00 N ATOM 1353 CA VAL A 84 3.984 11.110 9.688 1.00 0.00 C ATOM 1354 C VAL A 84 4.039 9.596 9.862 1.00 0.00 C ATOM 1355 O VAL A 84 3.977 9.087 10.982 1.00 0.00 O ATOM 1356 CB VAL A 84 2.608 11.500 9.115 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.504 11.176 10.109 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.585 12.974 8.741 1.00 0.00 C ATOM 0 H VAL A 84 4.787 11.801 7.879 1.00 0.00 H new ATOM 0 HA VAL A 84 4.115 11.589 10.658 1.00 0.00 H new ATOM 0 HB VAL A 84 2.432 10.917 8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.540 11.458 9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.508 10.107 10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.672 11.730 11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.606 13.232 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.783 13.577 9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.350 13.171 7.990 1.00 0.00 H new ATOM 1368 N VAL A 85 4.156 8.880 8.749 1.00 0.00 N ATOM 1369 CA VAL A 85 4.218 7.425 8.779 1.00 0.00 C ATOM 1370 C VAL A 85 5.414 6.943 9.595 1.00 0.00 C ATOM 1371 O VAL A 85 5.268 6.131 10.508 1.00 0.00 O ATOM 1372 CB VAL A 85 4.311 6.837 7.357 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.246 5.316 7.397 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.207 7.401 6.472 1.00 0.00 C ATOM 0 H VAL A 85 4.210 9.285 7.814 1.00 0.00 H new ATOM 0 HA VAL A 85 3.297 7.079 9.248 1.00 0.00 H new ATOM 0 HB VAL A 85 5.272 7.124 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.313 4.922 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.075 4.932 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.303 5.004 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.289 6.975 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.235 7.148 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.306 8.485 6.413 1.00 0.00 H new ATOM 1384 N ARG A 86 6.595 7.450 9.260 1.00 0.00 N ATOM 1385 CA ARG A 86 7.817 7.072 9.961 1.00 0.00 C ATOM 1386 C ARG A 86 7.713 7.377 11.454 1.00 0.00 C ATOM 1387 O ARG A 86 8.417 6.781 12.268 1.00 0.00 O ATOM 1388 CB ARG A 86 9.018 7.809 9.363 1.00 0.00 C ATOM 1389 CG ARG A 86 10.344 7.101 9.596 1.00 0.00 C ATOM 1390 CD ARG A 86 11.511 7.924 9.076 1.00 0.00 C ATOM 1391 NE ARG A 86 11.901 8.974 10.015 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.497 8.742 11.182 1.00 0.00 C ATOM 1393 NH1 ARG A 86 12.771 7.498 11.559 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.820 9.754 11.975 1.00 0.00 N ATOM 0 H ARG A 86 6.732 8.124 8.507 1.00 0.00 H new ATOM 0 HA ARG A 86 7.956 5.998 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.863 7.929 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.070 8.810 9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.476 6.913 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.332 6.130 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.362 7.269 8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.240 8.374 8.121 1.00 0.00 H new ATOM 0 HE ARG A 86 11.705 9.942 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.524 6.715 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.228 7.325 12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.612 10.711 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.277 9.575 12.869 1.00 0.00 H new ATOM 1408 N GLY A 87 6.831 8.307 11.807 1.00 0.00 N ATOM 1409 CA GLY A 87 6.657 8.671 13.201 1.00 0.00 C ATOM 1410 C GLY A 87 5.627 7.809 13.908 1.00 0.00 C ATOM 1411 O GLY A 87 5.746 7.546 15.104 1.00 0.00 O ATOM 0 H GLY A 87 6.235 8.814 11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.613 8.584 13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.355 9.716 13.264 1.00 0.00 H new ATOM 1415 N THR A 88 4.613 7.373 13.168 1.00 0.00 N ATOM 1416 CA THR A 88 3.558 6.538 13.736 1.00 0.00 C ATOM 1417 C THR A 88 4.134 5.247 14.315 1.00 0.00 C ATOM 1418 O THR A 88 4.905 4.554 13.651 1.00 0.00 O ATOM 1419 CB THR A 88 2.510 6.206 12.669 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.085 5.448 11.621 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.872 7.432 12.055 1.00 0.00 C ATOM 0 H THR A 88 4.498 7.583 12.176 1.00 0.00 H new ATOM 0 HA THR A 88 3.084 7.097 14.542 1.00 0.00 H new ATOM 0 HB THR A 88 1.738 5.638 13.188 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.665 6.024 11.081 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.140 7.126 11.308 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.376 8.012 12.833 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.640 8.043 11.581 1.00 0.00 H new ATOM 1429 N PRO A 89 3.766 4.901 15.563 1.00 0.00 N ATOM 1430 CA PRO A 89 4.255 3.683 16.217 1.00 0.00 C ATOM 1431 C PRO A 89 3.989 2.432 15.385 1.00 0.00 C ATOM 1432 O PRO A 89 4.675 1.420 15.532 1.00 0.00 O ATOM 1433 CB PRO A 89 3.458 3.629 17.524 1.00 0.00 C ATOM 1434 CG PRO A 89 3.052 5.040 17.782 1.00 0.00 C ATOM 1435 CD PRO A 89 2.849 5.664 16.429 1.00 0.00 C ATOM 0 HA PRO A 89 5.335 3.709 16.362 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.589 2.978 17.430 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.064 3.236 18.341 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.137 5.081 18.373 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.819 5.570 18.346 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.815 5.576 16.096 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.092 6.726 16.435 1.00 0.00 H new ATOM 1443 N GLY A 90 2.988 2.507 14.512 1.00 0.00 N ATOM 1444 CA GLY A 90 2.649 1.374 13.670 1.00 0.00 C ATOM 1445 C GLY A 90 3.834 0.859 12.875 1.00 0.00 C ATOM 1446 O GLY A 90 3.908 -0.327 12.555 1.00 0.00 O ATOM 0 H GLY A 90 2.406 3.333 14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.257 0.569 14.292 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.854 1.663 12.983 1.00 0.00 H new ATOM 1450 N ILE A 91 4.765 1.755 12.558 1.00 0.00 N ATOM 1451 CA ILE A 91 5.952 1.384 11.798 1.00 0.00 C ATOM 1452 C ILE A 91 7.024 0.795 12.708 1.00 0.00 C ATOM 1453 O ILE A 91 7.302 1.327 13.782 1.00 0.00 O ATOM 1454 CB ILE A 91 6.537 2.594 11.044 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.450 3.274 10.212 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.696 2.160 10.156 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.833 2.366 9.171 1.00 0.00 C ATOM 0 H ILE A 91 4.719 2.741 12.816 1.00 0.00 H new ATOM 0 HA ILE A 91 5.643 0.631 11.073 1.00 0.00 H new ATOM 0 HB ILE A 91 6.915 3.310 11.774 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.667 3.636 10.878 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.875 4.147 9.716 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.097 3.027 9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.478 1.714 10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.344 1.427 9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.070 2.913 8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.606 2.024 8.482 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.378 1.506 9.662 1.00 0.00 H new ATOM 1567 N ARG A 100 13.953 2.944 1.988 1.00 0.00 N ATOM 1568 CA ARG A 100 13.006 2.378 2.943 1.00 0.00 C ATOM 1569 C ARG A 100 11.681 2.036 2.262 1.00 0.00 C ATOM 1570 O ARG A 100 11.175 0.924 2.403 1.00 0.00 O ATOM 1571 CB ARG A 100 12.766 3.342 4.109 1.00 0.00 C ATOM 1572 CG ARG A 100 14.005 4.118 4.530 1.00 0.00 C ATOM 1573 CD ARG A 100 14.257 4.005 6.025 1.00 0.00 C ATOM 1574 NE ARG A 100 14.830 2.710 6.387 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.056 2.320 6.045 1.00 0.00 C ATOM 1576 NH1 ARG A 100 16.842 3.120 5.334 1.00 0.00 N ATOM 1577 NH2 ARG A 100 16.500 1.127 6.416 1.00 0.00 N ATOM 0 HA ARG A 100 13.440 1.458 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.984 4.048 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.394 2.777 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.872 3.743 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.887 5.167 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.932 4.801 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.320 4.150 6.563 1.00 0.00 H new ATOM 0 HE ARG A 100 14.257 2.067 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.507 4.040 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.780 2.815 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.902 0.508 6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.439 0.828 6.154 1.00 0.00 H new ATOM 1591 N PRO A 101 11.098 2.987 1.507 1.00 0.00 N ATOM 1592 CA PRO A 101 9.832 2.769 0.808 1.00 0.00 C ATOM 1593 C PRO A 101 10.024 2.020 -0.508 1.00 0.00 C ATOM 1594 O PRO A 101 10.872 2.384 -1.321 1.00 0.00 O ATOM 1595 CB PRO A 101 9.342 4.189 0.547 1.00 0.00 C ATOM 1596 CG PRO A 101 10.589 4.988 0.381 1.00 0.00 C ATOM 1597 CD PRO A 101 11.625 4.349 1.273 1.00 0.00 C ATOM 0 HA PRO A 101 9.137 2.158 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.718 4.236 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.740 4.560 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.917 4.985 -0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.424 6.028 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.604 4.322 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.742 4.898 2.207 1.00 0.00 H new ATOM 1605 N VAL A 102 9.233 0.971 -0.710 1.00 0.00 N ATOM 1606 CA VAL A 102 9.324 0.174 -1.928 1.00 0.00 C ATOM 1607 C VAL A 102 7.950 -0.016 -2.570 1.00 0.00 C ATOM 1608 O VAL A 102 7.168 -0.867 -2.143 1.00 0.00 O ATOM 1609 CB VAL A 102 9.942 -1.210 -1.649 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.155 -1.974 -2.948 1.00 0.00 C ATOM 1611 CG2 VAL A 102 11.252 -1.063 -0.890 1.00 0.00 C ATOM 0 H VAL A 102 8.524 0.654 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 102 9.969 0.722 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 102 9.248 -1.779 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.592 -2.948 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.198 -2.110 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.828 -1.411 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.676 -2.049 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.952 -0.475 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.068 -0.559 0.059 1.00 0.00 H new ATOM 1621 N PRO A 103 7.634 0.780 -3.609 1.00 0.00 N ATOM 1622 CA PRO A 103 6.353 0.693 -4.308 1.00 0.00 C ATOM 1623 C PRO A 103 6.336 -0.425 -5.346 1.00 0.00 C ATOM 1624 O PRO A 103 7.316 -0.632 -6.063 1.00 0.00 O ATOM 1625 CB PRO A 103 6.247 2.055 -4.986 1.00 0.00 C ATOM 1626 CG PRO A 103 7.658 2.436 -5.278 1.00 0.00 C ATOM 1627 CD PRO A 103 8.502 1.827 -4.185 1.00 0.00 C ATOM 0 HA PRO A 103 5.526 0.465 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.654 1.999 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.765 2.785 -4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.965 2.066 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.771 3.520 -5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.426 1.407 -4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.784 2.569 -3.437 1.00 0.00 H new ATOM 1635 N LEU A 104 5.221 -1.142 -5.422 1.00 0.00 N ATOM 1636 CA LEU A 104 5.081 -2.239 -6.373 1.00 0.00 C ATOM 1637 C LEU A 104 5.054 -1.721 -7.807 1.00 0.00 C ATOM 1638 O LEU A 104 4.717 -0.562 -8.053 1.00 0.00 O ATOM 1639 CB LEU A 104 3.805 -3.034 -6.085 1.00 0.00 C ATOM 1640 CG LEU A 104 3.917 -4.046 -4.942 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.227 -3.522 -3.692 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.328 -5.387 -5.358 1.00 0.00 C ATOM 0 H LEU A 104 4.401 -0.984 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 104 5.945 -2.894 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.003 -2.333 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.513 -3.564 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 104 4.973 -4.190 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.318 -4.256 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.695 -2.588 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.173 -3.346 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.416 -6.095 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.277 -5.259 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.869 -5.769 -6.223 1.00 0.00 H new ATOM 1654 N SER A 105 5.407 -2.588 -8.751 1.00 0.00 N ATOM 1655 CA SER A 105 5.420 -2.220 -10.162 1.00 0.00 C ATOM 1656 C SER A 105 4.034 -2.398 -10.781 1.00 0.00 C ATOM 1657 O SER A 105 3.263 -3.256 -10.355 1.00 0.00 O ATOM 1658 CB SER A 105 6.443 -3.066 -10.925 1.00 0.00 C ATOM 1659 OG SER A 105 5.958 -4.379 -11.142 1.00 0.00 O ATOM 0 H SER A 105 5.688 -3.551 -8.564 1.00 0.00 H new ATOM 0 HA SER A 105 5.702 -1.170 -10.235 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.668 -2.595 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.376 -3.108 -10.363 1.00 0.00 H new ATOM 0 HG SER A 105 6.576 -5.026 -10.742 1.00 0.00 H new ATOM 1665 N PRO A 106 3.698 -1.584 -11.797 1.00 0.00 N ATOM 1666 CA PRO A 106 2.398 -1.652 -12.472 1.00 0.00 C ATOM 1667 C PRO A 106 1.982 -3.080 -12.816 1.00 0.00 C ATOM 1668 O PRO A 106 0.861 -3.496 -12.525 1.00 0.00 O ATOM 1669 CB PRO A 106 2.626 -0.839 -13.744 1.00 0.00 C ATOM 1670 CG PRO A 106 3.671 0.155 -13.370 1.00 0.00 C ATOM 1671 CD PRO A 106 4.562 -0.531 -12.369 1.00 0.00 C ATOM 0 HA PRO A 106 1.593 -1.276 -11.841 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.958 -1.473 -14.566 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.710 -0.347 -14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.239 0.471 -14.245 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.221 1.051 -12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.447 -0.953 -12.844 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.911 0.161 -11.603 1.00 0.00 H new ATOM 1679 N ASP A 107 2.889 -3.824 -13.440 1.00 0.00 N ATOM 1680 CA ASP A 107 2.610 -5.203 -13.828 1.00 0.00 C ATOM 1681 C ASP A 107 2.265 -6.058 -12.613 1.00 0.00 C ATOM 1682 O ASP A 107 1.373 -6.905 -12.672 1.00 0.00 O ATOM 1683 CB ASP A 107 3.813 -5.800 -14.561 1.00 0.00 C ATOM 1684 CG ASP A 107 4.019 -5.185 -15.931 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.688 -3.992 -16.103 1.00 0.00 O ATOM 1686 OD2 ASP A 107 4.508 -5.895 -16.834 1.00 0.00 O ATOM 0 H ASP A 107 3.823 -3.496 -13.688 1.00 0.00 H new ATOM 0 HA ASP A 107 1.749 -5.196 -14.497 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.711 -5.652 -13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.674 -6.876 -14.666 1.00 0.00 H new ATOM 1691 N GLU A 108 2.979 -5.836 -11.514 1.00 0.00 N ATOM 1692 CA GLU A 108 2.746 -6.589 -10.287 1.00 0.00 C ATOM 1693 C GLU A 108 1.525 -6.060 -9.541 1.00 0.00 C ATOM 1694 O GLU A 108 0.804 -6.819 -8.892 1.00 0.00 O ATOM 1695 CB GLU A 108 3.978 -6.522 -9.383 1.00 0.00 C ATOM 1696 CG GLU A 108 4.985 -7.630 -9.641 1.00 0.00 C ATOM 1697 CD GLU A 108 6.404 -7.219 -9.298 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.743 -7.198 -8.098 1.00 0.00 O ATOM 1699 OE2 GLU A 108 7.176 -6.917 -10.234 1.00 0.00 O ATOM 0 H GLU A 108 3.723 -5.141 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 108 2.557 -7.627 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.468 -5.558 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.657 -6.569 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.713 -8.507 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.938 -7.921 -10.690 1.00 0.00 H new ATOM 1706 N VAL A 109 1.299 -4.754 -9.635 1.00 0.00 N ATOM 1707 CA VAL A 109 0.169 -4.121 -8.967 1.00 0.00 C ATOM 1708 C VAL A 109 -1.155 -4.725 -9.428 1.00 0.00 C ATOM 1709 O VAL A 109 -2.118 -4.786 -8.665 1.00 0.00 O ATOM 1710 CB VAL A 109 0.145 -2.600 -9.221 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.030 -1.951 -8.502 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.459 -1.963 -8.790 1.00 0.00 C ATOM 0 H VAL A 109 1.885 -4.112 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 109 0.293 -4.301 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 109 0.021 -2.435 -10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.027 -0.878 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.962 -2.383 -8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.943 -2.127 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.422 -0.890 -8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.618 -2.140 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.280 -2.402 -9.357 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.197 -5.167 -10.678 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.409 -5.760 -11.234 1.00 0.00 C ATOM 1724 C ARG A 110 -2.617 -7.178 -10.714 1.00 0.00 C ATOM 1725 O ARG A 110 -3.744 -7.668 -10.662 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.344 -5.767 -12.762 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.599 -6.321 -13.421 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.272 -7.412 -14.431 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.889 -7.158 -15.731 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.200 -7.220 -15.953 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -6.035 -7.524 -14.967 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.679 -6.975 -17.165 1.00 0.00 N ATOM 0 H ARG A 110 -0.410 -5.127 -11.325 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.256 -5.152 -10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.177 -4.749 -13.115 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.485 -6.359 -13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.265 -6.721 -12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.135 -5.513 -13.919 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.191 -7.483 -14.551 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.614 -8.374 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.280 -6.919 -16.514 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.673 -7.712 -14.032 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.038 -7.570 -15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.043 -6.739 -17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.684 -7.022 -17.336 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.527 -7.836 -10.335 1.00 0.00 N ATOM 1747 CA HIS A 111 -1.602 -9.198 -9.822 1.00 0.00 C ATOM 1748 C HIS A 111 -1.971 -9.208 -8.343 1.00 0.00 C ATOM 1749 O HIS A 111 -2.590 -10.153 -7.855 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.272 -9.922 -10.034 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.428 -11.368 -10.390 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.623 -12.047 -10.274 1.00 0.00 N ATOM 1753 CD2 HIS A 111 0.468 -12.268 -10.862 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.454 -13.300 -10.658 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.195 -13.459 -11.020 1.00 0.00 N ATOM 0 H HIS A 111 -0.584 -7.449 -10.373 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.383 -9.721 -10.374 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.284 -9.419 -10.825 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.325 -9.842 -9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.511 -12.082 -11.074 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.217 -14.064 -10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.218 -14.327 -11.362 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.590 -8.152 -7.633 1.00 0.00 N ATOM 1765 CA ILE A 112 -1.887 -8.047 -6.210 1.00 0.00 C ATOM 1766 C ILE A 112 -3.319 -7.572 -5.981 1.00 0.00 C ATOM 1767 O ILE A 112 -3.962 -7.956 -5.005 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.917 -7.085 -5.496 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.058 -5.666 -6.052 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.518 -7.576 -5.634 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.162 -4.654 -5.375 1.00 0.00 C ATOM 0 H ILE A 112 -1.077 -7.359 -8.018 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.765 -9.045 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.172 -7.063 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.834 -5.680 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.095 -5.346 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.190 -6.885 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.608 -8.566 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.785 -7.629 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.318 -3.673 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.401 -4.610 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.880 -4.949 -5.501 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.813 -6.737 -6.892 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.171 -6.215 -6.788 1.00 0.00 C ATOM 1785 C LEU A 113 -6.191 -7.264 -7.225 1.00 0.00 C ATOM 1786 O LEU A 113 -7.346 -7.229 -6.805 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.321 -4.954 -7.642 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.497 -3.752 -7.172 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.574 -2.622 -8.188 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.973 -3.280 -5.805 1.00 0.00 C ATOM 0 H LEU A 113 -3.295 -6.409 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.359 -5.963 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.037 -5.192 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.373 -4.669 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.456 -4.061 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.983 -1.776 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.183 -2.966 -9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.612 -2.313 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.376 -2.425 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.021 -2.988 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.863 -4.088 -5.082 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.756 -8.194 -8.071 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.635 -9.251 -8.559 1.00 0.00 C ATOM 1804 C GLU A 114 -6.871 -10.306 -7.482 1.00 0.00 C ATOM 1805 O GLU A 114 -7.942 -10.907 -7.414 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.037 -9.906 -9.805 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.052 -10.682 -10.629 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.686 -9.838 -11.717 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.944 -9.327 -12.581 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.926 -9.689 -11.706 1.00 0.00 O ATOM 0 H GLU A 114 -4.803 -8.237 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.593 -8.800 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.587 -9.135 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.235 -10.580 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.564 -11.545 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.832 -11.066 -9.971 1.00 0.00 H new ATOM 1817 N VAL A 115 -5.864 -10.524 -6.642 1.00 0.00 N ATOM 1818 CA VAL A 115 -5.965 -11.506 -5.570 1.00 0.00 C ATOM 1819 C VAL A 115 -6.828 -10.983 -4.427 1.00 0.00 C ATOM 1820 O VAL A 115 -7.722 -11.676 -3.943 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.579 -11.885 -5.013 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.694 -13.054 -4.046 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -3.614 -12.215 -6.145 1.00 0.00 C ATOM 0 H VAL A 115 -4.970 -10.034 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.428 -12.393 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.183 -11.028 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.706 -13.308 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.345 -12.777 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.114 -13.916 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.642 -12.480 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.003 -13.054 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.506 -11.347 -6.796 1.00 0.00 H new ATOM 1833 N SER A 116 -6.552 -9.754 -3.998 1.00 0.00 N ATOM 1834 CA SER A 116 -7.303 -9.136 -2.911 1.00 0.00 C ATOM 1835 C SER A 116 -8.789 -9.061 -3.248 1.00 0.00 C ATOM 1836 O SER A 116 -9.625 -9.624 -2.540 1.00 0.00 O ATOM 1837 CB SER A 116 -6.762 -7.735 -2.622 1.00 0.00 C ATOM 1838 OG SER A 116 -6.850 -7.429 -1.241 1.00 0.00 O ATOM 0 H SER A 116 -5.814 -9.167 -4.387 1.00 0.00 H new ATOM 0 HA SER A 116 -7.182 -9.755 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.724 -7.669 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.324 -6.999 -3.197 1.00 0.00 H new ATOM 0 HG SER A 116 -6.028 -7.713 -0.790 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.112 -8.363 -4.333 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.498 -8.230 -4.743 1.00 0.00 C ATOM 1846 C GLY A 117 -10.844 -6.819 -5.179 1.00 0.00 C ATOM 1847 O GLY A 117 -11.625 -6.133 -4.520 1.00 0.00 O ATOM 0 H GLY A 117 -8.439 -7.888 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.698 -8.919 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.147 -8.521 -3.917 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.265 -6.388 -6.295 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.520 -5.051 -6.821 1.00 0.00 C ATOM 1853 C LEU A 118 -10.907 -5.113 -8.295 1.00 0.00 C ATOM 1854 O LEU A 118 -11.881 -4.490 -8.718 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.286 -4.161 -6.648 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.906 -3.840 -5.199 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.863 -2.730 -5.156 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.137 -3.445 -4.393 1.00 0.00 C ATOM 0 H LEU A 118 -9.617 -6.944 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.349 -4.622 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.438 -4.648 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.458 -3.224 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.478 -4.737 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.604 -2.514 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.970 -3.048 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.268 -1.832 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.844 -3.221 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.597 -2.563 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.852 -4.267 -4.395 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.136 -5.867 -9.071 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.396 -6.010 -10.498 1.00 0.00 C ATOM 1872 C LEU A 119 -11.511 -7.022 -10.749 1.00 0.00 C ATOM 1873 O LEU A 119 -12.559 -6.682 -11.300 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.118 -6.440 -11.226 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.586 -5.433 -12.247 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.146 -5.755 -12.612 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -9.464 -5.422 -13.491 1.00 0.00 C ATOM 0 H LEU A 119 -9.326 -6.388 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.718 -5.044 -10.886 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.341 -6.628 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.308 -7.385 -11.735 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.612 -4.440 -11.799 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.784 -5.028 -13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.526 -5.713 -11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.095 -6.755 -13.042 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.071 -4.700 -14.207 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.469 -6.414 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.481 -5.144 -13.216 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.279 -8.266 -10.342 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.273 -9.305 -10.531 1.00 0.00 C ATOM 1891 C GLY A 120 -12.400 -10.213 -9.323 1.00 0.00 C ATOM 1892 O GLY A 120 -12.000 -11.391 -9.423 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.899 -9.745 -8.279 1.00 0.00 O ATOM 0 H GLY A 120 -10.420 -8.572 -9.885 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.239 -8.846 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.009 -9.902 -11.404 1.00 0.00 H new