USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 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= 0.378 F(o=-0.51,f=0.95) USER MOD Set 1.2: A 65 TYR OH : rot -69:sc= 0.572 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -120:sc= -0.806 USER MOD Single : A 14 GLN : amide:sc= -0.0018 X(o=-0.0018,f=-0.0018) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 130:sc= -0.642 (180deg=-1.8!) USER MOD Single : A 21 ASN : amide:sc= -0.0653 K(o=-0.065,f=-1.8) 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 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -66:sc= 0.115 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 69 GLN : amide:sc= -5.48! C(o=-5.5!,f=-8.3!) USER MOD Single : A 70 MET CE :methyl -145:sc= -9.08! (180deg=-11.7!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.114 F(o=-0.66,f=-0.11) USER MOD Single : A 88 THR OG1 : rot -73:sc= -1.35 USER MOD Single : A 105 SER OG : rot 112:sc= 0.166 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -50:sc= -5.04! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.682 7.489 -9.897 1.00 0.00 N ATOM 15 CA ILE A 3 0.032 7.349 -8.634 1.00 0.00 C ATOM 16 C ILE A 3 0.691 5.976 -8.530 1.00 0.00 C ATOM 17 O ILE A 3 0.652 5.193 -9.480 1.00 0.00 O ATOM 18 CB ILE A 3 -0.900 7.572 -7.426 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.121 6.648 -7.495 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.337 9.028 -7.366 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.083 6.979 -8.617 1.00 0.00 C ATOM 0 HA ILE A 3 0.805 8.117 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.348 7.331 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.779 5.620 -7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.655 6.698 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.995 9.175 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.460 9.667 -7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.870 9.286 -8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.919 6.280 -8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.456 7.995 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.567 6.901 -9.574 1.00 0.00 H new ATOM 33 N GLU A 4 1.314 5.689 -7.390 1.00 0.00 N ATOM 34 CA GLU A 4 1.992 4.410 -7.203 1.00 0.00 C ATOM 35 C GLU A 4 1.633 3.747 -5.873 1.00 0.00 C ATOM 36 O GLU A 4 1.182 4.403 -4.928 1.00 0.00 O ATOM 37 CB GLU A 4 3.507 4.603 -7.289 1.00 0.00 C ATOM 38 CG GLU A 4 4.220 3.496 -8.048 1.00 0.00 C ATOM 39 CD GLU A 4 5.171 4.031 -9.102 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.688 4.580 -10.114 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.400 3.900 -8.914 1.00 0.00 O ATOM 0 H GLU A 4 1.363 6.318 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 4 1.653 3.748 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.716 5.557 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.915 4.661 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.775 2.877 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.480 2.852 -8.524 1.00 0.00 H new ATOM 48 N TRP A 5 1.852 2.435 -5.818 1.00 0.00 N ATOM 49 CA TRP A 5 1.574 1.650 -4.621 1.00 0.00 C ATOM 50 C TRP A 5 2.847 1.450 -3.807 1.00 0.00 C ATOM 51 O TRP A 5 3.593 0.498 -4.030 1.00 0.00 O ATOM 52 CB TRP A 5 1.003 0.284 -5.006 1.00 0.00 C ATOM 53 CG TRP A 5 -0.417 0.334 -5.478 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.849 0.410 -6.769 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.591 0.305 -4.661 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.223 0.425 -6.806 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.702 0.365 -5.524 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.810 0.234 -3.284 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.011 0.354 -5.052 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.110 0.224 -2.816 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.196 0.284 -3.698 1.00 0.00 C ATOM 0 H TRP A 5 2.224 1.891 -6.596 1.00 0.00 H new ATOM 0 HA TRP A 5 0.845 2.193 -4.019 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.622 -0.150 -5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.067 -0.382 -4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.206 0.452 -7.636 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.793 0.473 -7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.978 0.188 -2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.851 0.399 -5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.291 0.169 -1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.200 0.275 -3.301 1.00 0.00 H new ATOM 72 N TYR A 6 3.094 2.351 -2.865 1.00 0.00 N ATOM 73 CA TYR A 6 4.282 2.261 -2.026 1.00 0.00 C ATOM 74 C TYR A 6 4.045 1.316 -0.855 1.00 0.00 C ATOM 75 O TYR A 6 3.260 1.612 0.046 1.00 0.00 O ATOM 76 CB TYR A 6 4.676 3.647 -1.519 1.00 0.00 C ATOM 77 CG TYR A 6 5.348 4.501 -2.571 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.721 4.439 -2.770 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.608 5.366 -3.366 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.339 5.216 -3.731 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.218 6.147 -4.330 1.00 0.00 C ATOM 82 CZ TYR A 6 6.582 6.067 -4.508 1.00 0.00 C ATOM 83 OH TYR A 6 7.195 6.842 -5.467 1.00 0.00 O ATOM 0 H TYR A 6 2.491 3.149 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 6 5.099 1.861 -2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.785 4.161 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.347 3.537 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.316 3.772 -2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.539 5.430 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.408 5.157 -3.873 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.629 6.816 -4.940 1.00 0.00 H new ATOM 0 HH TYR A 6 6.522 7.385 -5.928 1.00 0.00 H new ATOM 93 N ALA A 7 4.723 0.175 -0.879 1.00 0.00 N ATOM 94 CA ALA A 7 4.582 -0.821 0.175 1.00 0.00 C ATOM 95 C ALA A 7 5.594 -0.594 1.292 1.00 0.00 C ATOM 96 O ALA A 7 6.620 0.056 1.094 1.00 0.00 O ATOM 97 CB ALA A 7 4.730 -2.222 -0.398 1.00 0.00 C ATOM 0 H ALA A 7 5.377 -0.083 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 7 3.584 -0.718 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.622 -2.955 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.960 -2.390 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.714 -2.326 -0.856 1.00 0.00 H new ATOM 103 N VAL A 8 5.296 -1.138 2.467 1.00 0.00 N ATOM 104 CA VAL A 8 6.177 -1.003 3.621 1.00 0.00 C ATOM 105 C VAL A 8 6.229 -2.300 4.420 1.00 0.00 C ATOM 106 O VAL A 8 5.373 -3.172 4.263 1.00 0.00 O ATOM 107 CB VAL A 8 5.725 0.140 4.548 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.108 1.489 3.959 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.226 0.065 4.798 1.00 0.00 C ATOM 0 H VAL A 8 4.449 -1.678 2.645 1.00 0.00 H new ATOM 0 HA VAL A 8 7.170 -0.772 3.236 1.00 0.00 H new ATOM 0 HB VAL A 8 6.235 0.030 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.780 2.284 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.190 1.539 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.628 1.611 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.925 0.881 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.694 0.148 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.983 -0.888 5.268 1.00 0.00 H new ATOM 119 N HIS A 9 7.241 -2.424 5.272 1.00 0.00 N ATOM 120 CA HIS A 9 7.406 -3.618 6.093 1.00 0.00 C ATOM 121 C HIS A 9 6.924 -3.373 7.519 1.00 0.00 C ATOM 122 O HIS A 9 6.996 -2.253 8.027 1.00 0.00 O ATOM 123 CB HIS A 9 8.872 -4.052 6.105 1.00 0.00 C ATOM 124 CG HIS A 9 9.338 -4.616 4.798 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.242 -4.128 3.537 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.989 -5.826 4.690 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.831 -5.045 2.702 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.275 -6.059 3.421 1.00 0.00 N flip ATOM 0 H HIS A 9 7.959 -1.713 5.412 1.00 0.00 H new ATOM 0 HA HIS A 9 6.800 -4.413 5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.494 -3.196 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.015 -4.799 6.886 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.813 -3.245 3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.228 -6.482 5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.917 -4.952 1.629 1.00 0.00 H new ATOM 137 N THR A 10 6.431 -4.429 8.161 1.00 0.00 N ATOM 138 CA THR A 10 5.936 -4.331 9.529 1.00 0.00 C ATOM 139 C THR A 10 6.138 -5.646 10.275 1.00 0.00 C ATOM 140 O THR A 10 6.751 -6.579 9.754 1.00 0.00 O ATOM 141 CB THR A 10 4.455 -3.953 9.531 1.00 0.00 C ATOM 142 OG1 THR A 10 3.666 -5.013 9.022 1.00 0.00 O ATOM 143 CG2 THR A 10 4.150 -2.717 8.710 1.00 0.00 C ATOM 0 H THR A 10 6.364 -5.362 7.755 1.00 0.00 H new ATOM 0 HA THR A 10 6.503 -3.553 10.040 1.00 0.00 H new ATOM 0 HB THR A 10 4.212 -3.745 10.573 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.177 -4.706 8.231 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.082 -2.505 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.705 -1.868 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.443 -2.887 7.674 1.00 0.00 H new ATOM 151 N LEU A 11 5.619 -5.713 11.497 1.00 0.00 N ATOM 152 CA LEU A 11 5.743 -6.915 12.314 1.00 0.00 C ATOM 153 C LEU A 11 4.567 -7.858 12.074 1.00 0.00 C ATOM 154 O LEU A 11 3.430 -7.418 11.907 1.00 0.00 O ATOM 155 CB LEU A 11 5.822 -6.542 13.797 1.00 0.00 C ATOM 156 CG LEU A 11 7.163 -6.840 14.469 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.226 -6.200 15.846 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.387 -8.342 14.566 1.00 0.00 C ATOM 0 H LEU A 11 5.109 -4.950 11.943 1.00 0.00 H new ATOM 0 HA LEU A 11 6.661 -7.429 12.027 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.610 -5.478 13.900 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.038 -7.077 14.333 1.00 0.00 H new ATOM 0 HG LEU A 11 7.957 -6.412 13.857 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.188 -6.424 16.308 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.112 -5.120 15.751 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.424 -6.596 16.469 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.346 -8.537 15.047 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.588 -8.792 15.155 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.388 -8.775 13.566 1.00 0.00 H new ATOM 170 N VAL A 12 4.851 -9.157 12.057 1.00 0.00 N ATOM 171 CA VAL A 12 3.818 -10.162 11.838 1.00 0.00 C ATOM 172 C VAL A 12 2.835 -10.201 13.004 1.00 0.00 C ATOM 173 O VAL A 12 3.219 -10.458 14.145 1.00 0.00 O ATOM 174 CB VAL A 12 4.431 -11.564 11.642 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.187 -11.999 12.888 1.00 0.00 C ATOM 176 CG2 VAL A 12 3.353 -12.576 11.281 1.00 0.00 C ATOM 0 H VAL A 12 5.788 -9.537 12.192 1.00 0.00 H new ATOM 0 HA VAL A 12 3.286 -9.879 10.930 1.00 0.00 H new ATOM 0 HB VAL A 12 5.140 -11.515 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.611 -12.990 12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.989 -11.290 13.093 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.503 -12.029 13.736 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.806 -13.558 11.147 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.615 -12.623 12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.865 -12.273 10.355 1.00 0.00 H new ATOM 186 N GLY A 13 1.565 -9.945 12.709 1.00 0.00 N ATOM 187 CA GLY A 13 0.547 -9.956 13.742 1.00 0.00 C ATOM 188 C GLY A 13 0.252 -8.570 14.279 1.00 0.00 C ATOM 189 O GLY A 13 -0.865 -8.289 14.714 1.00 0.00 O ATOM 0 H GLY A 13 1.223 -9.730 11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.369 -10.389 13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.871 -10.598 14.561 1.00 0.00 H new ATOM 193 N GLN A 14 1.258 -7.700 14.247 1.00 0.00 N ATOM 194 CA GLN A 14 1.103 -6.334 14.733 1.00 0.00 C ATOM 195 C GLN A 14 0.542 -5.423 13.644 1.00 0.00 C ATOM 196 O GLN A 14 -0.053 -4.386 13.935 1.00 0.00 O ATOM 197 CB GLN A 14 2.447 -5.792 15.224 1.00 0.00 C ATOM 198 CG GLN A 14 2.316 -4.714 16.288 1.00 0.00 C ATOM 199 CD GLN A 14 1.982 -5.281 17.654 1.00 0.00 C ATOM 200 OE1 GLN A 14 0.866 -5.120 18.150 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.949 -5.950 18.270 1.00 0.00 N ATOM 0 H GLN A 14 2.188 -7.917 13.890 1.00 0.00 H new ATOM 0 HA GLN A 14 0.397 -6.350 15.563 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.037 -6.616 15.624 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.998 -5.388 14.375 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.249 -4.154 16.349 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.540 -4.009 15.992 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.859 -6.059 17.822 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.782 -6.355 19.191 1.00 0.00 H new ATOM 210 N GLU A 15 0.735 -5.817 12.388 1.00 0.00 N ATOM 211 CA GLU A 15 0.248 -5.034 11.257 1.00 0.00 C ATOM 212 C GLU A 15 -1.250 -4.767 11.377 1.00 0.00 C ATOM 213 O GLU A 15 -1.734 -3.706 10.986 1.00 0.00 O ATOM 214 CB GLU A 15 0.543 -5.761 9.942 1.00 0.00 C ATOM 215 CG GLU A 15 0.171 -7.234 9.965 1.00 0.00 C ATOM 216 CD GLU A 15 -0.133 -7.780 8.583 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.732 -7.654 7.691 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.235 -8.334 8.393 1.00 0.00 O ATOM 0 H GLU A 15 1.225 -6.673 12.128 1.00 0.00 H new ATOM 0 HA GLU A 15 0.769 -4.077 11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.001 -5.270 9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.605 -5.666 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.989 -7.805 10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.698 -7.375 10.607 1.00 0.00 H new ATOM 225 N GLU A 16 -1.977 -5.737 11.923 1.00 0.00 N ATOM 226 CA GLU A 16 -3.420 -5.606 12.097 1.00 0.00 C ATOM 227 C GLU A 16 -3.762 -4.363 12.913 1.00 0.00 C ATOM 228 O GLU A 16 -4.642 -3.586 12.542 1.00 0.00 O ATOM 229 CB GLU A 16 -3.988 -6.851 12.782 1.00 0.00 C ATOM 230 CG GLU A 16 -5.507 -6.909 12.778 1.00 0.00 C ATOM 231 CD GLU A 16 -6.051 -7.910 11.779 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.094 -9.114 12.111 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.432 -7.493 10.666 1.00 0.00 O ATOM 0 H GLU A 16 -1.591 -6.622 12.252 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.870 -5.505 11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.598 -7.739 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.634 -6.882 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.859 -7.170 13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.904 -5.920 12.548 1.00 0.00 H new ATOM 240 N LYS A 17 -3.057 -4.181 14.025 1.00 0.00 N ATOM 241 CA LYS A 17 -3.282 -3.031 14.893 1.00 0.00 C ATOM 242 C LYS A 17 -2.681 -1.765 14.288 1.00 0.00 C ATOM 243 O LYS A 17 -3.147 -0.657 14.555 1.00 0.00 O ATOM 244 CB LYS A 17 -2.678 -3.286 16.276 1.00 0.00 C ATOM 245 CG LYS A 17 -3.372 -2.526 17.396 1.00 0.00 C ATOM 246 CD LYS A 17 -2.852 -2.950 18.760 1.00 0.00 C ATOM 247 CE LYS A 17 -3.671 -2.335 19.883 1.00 0.00 C ATOM 248 NZ LYS A 17 -3.395 -2.988 21.193 1.00 0.00 N ATOM 0 H LYS A 17 -2.325 -4.815 14.346 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.358 -2.887 14.993 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.723 -4.354 16.491 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.624 -3.008 16.259 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.216 -1.456 17.262 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.447 -2.700 17.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.881 -4.037 18.840 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.809 -2.650 18.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.448 -1.270 19.954 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.732 -2.424 19.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.973 -2.540 21.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.631 -3.999 21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.388 -2.881 21.429 1.00 0.00 H new ATOM 262 N ALA A 18 -1.645 -1.937 13.473 1.00 0.00 N ATOM 263 CA ALA A 18 -0.981 -0.810 12.832 1.00 0.00 C ATOM 264 C ALA A 18 -1.918 -0.096 11.864 1.00 0.00 C ATOM 265 O ALA A 18 -2.004 1.132 11.859 1.00 0.00 O ATOM 266 CB ALA A 18 0.271 -1.276 12.107 1.00 0.00 C ATOM 0 H ALA A 18 -1.248 -2.847 13.241 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.695 -0.102 13.610 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.756 -0.423 11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.956 -1.732 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.000 -2.008 11.346 1.00 0.00 H new ATOM 272 N LYS A 19 -2.622 -0.874 11.046 1.00 0.00 N ATOM 273 CA LYS A 19 -3.556 -0.318 10.069 1.00 0.00 C ATOM 274 C LYS A 19 -4.458 0.736 10.705 1.00 0.00 C ATOM 275 O LYS A 19 -4.623 1.832 10.166 1.00 0.00 O ATOM 276 CB LYS A 19 -4.410 -1.433 9.462 1.00 0.00 C ATOM 277 CG LYS A 19 -3.601 -2.476 8.707 1.00 0.00 C ATOM 278 CD LYS A 19 -4.374 -3.776 8.554 1.00 0.00 C ATOM 279 CE LYS A 19 -3.446 -4.980 8.563 1.00 0.00 C ATOM 280 NZ LYS A 19 -4.198 -6.264 8.616 1.00 0.00 N ATOM 0 H LYS A 19 -2.564 -1.892 11.040 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.973 0.160 9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.969 -1.925 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.141 -0.992 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.337 -2.090 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.667 -2.667 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.098 -3.867 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.939 -3.757 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.821 -4.963 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.777 -4.916 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.848 -6.902 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.061 -6.708 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.210 -6.080 8.466 1.00 0.00 H new ATOM 294 N ALA A 20 -5.035 0.401 11.853 1.00 0.00 N ATOM 295 CA ALA A 20 -5.915 1.321 12.560 1.00 0.00 C ATOM 296 C ALA A 20 -5.150 2.553 13.032 1.00 0.00 C ATOM 297 O ALA A 20 -5.703 3.651 13.105 1.00 0.00 O ATOM 298 CB ALA A 20 -6.574 0.622 13.741 1.00 0.00 C ATOM 0 H ALA A 20 -4.909 -0.501 12.313 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.691 1.648 11.868 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.229 1.323 14.259 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.160 -0.224 13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.806 0.267 14.428 1.00 0.00 H new ATOM 304 N ASN A 21 -3.874 2.362 13.353 1.00 0.00 N ATOM 305 CA ASN A 21 -3.030 3.457 13.817 1.00 0.00 C ATOM 306 C ASN A 21 -2.790 4.471 12.704 1.00 0.00 C ATOM 307 O ASN A 21 -2.966 5.673 12.896 1.00 0.00 O ATOM 308 CB ASN A 21 -1.693 2.918 14.331 1.00 0.00 C ATOM 309 CG ASN A 21 -1.689 2.720 15.833 1.00 0.00 C ATOM 310 OD1 ASN A 21 -0.838 3.263 16.540 1.00 0.00 O ATOM 311 ND2 ASN A 21 -2.641 1.940 16.331 1.00 0.00 N ATOM 0 H ASN A 21 -3.402 1.459 13.300 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.549 3.959 14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.475 1.969 13.842 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.896 3.609 14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.688 1.770 17.336 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.326 1.510 15.709 1.00 0.00 H new ATOM 318 N LEU A 22 -2.387 3.979 11.536 1.00 0.00 N ATOM 319 CA LEU A 22 -2.124 4.845 10.393 1.00 0.00 C ATOM 320 C LEU A 22 -3.399 5.528 9.926 1.00 0.00 C ATOM 321 O LEU A 22 -3.506 6.750 9.955 1.00 0.00 O ATOM 322 CB LEU A 22 -1.522 4.049 9.232 1.00 0.00 C ATOM 323 CG LEU A 22 -0.560 2.934 9.634 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.138 2.369 8.408 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.459 3.446 10.644 1.00 0.00 C ATOM 0 H LEU A 22 -2.236 2.986 11.357 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.410 5.603 10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.335 3.613 8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.996 4.740 8.574 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.133 2.134 10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.820 1.575 8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.605 1.966 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.700 3.161 7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.136 2.638 10.919 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.030 4.263 10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.059 3.804 11.534 1.00 0.00 H new ATOM 337 N GLU A 23 -4.364 4.725 9.489 1.00 0.00 N ATOM 338 CA GLU A 23 -5.641 5.247 9.001 1.00 0.00 C ATOM 339 C GLU A 23 -6.169 6.368 9.894 1.00 0.00 C ATOM 340 O GLU A 23 -6.837 7.287 9.420 1.00 0.00 O ATOM 341 CB GLU A 23 -6.673 4.121 8.910 1.00 0.00 C ATOM 342 CG GLU A 23 -6.769 3.495 7.527 1.00 0.00 C ATOM 343 CD GLU A 23 -8.145 2.933 7.236 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.030 3.715 6.823 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.341 1.715 7.421 1.00 0.00 O ATOM 0 H GLU A 23 -4.288 3.708 9.462 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.470 5.662 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.419 3.347 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.651 4.512 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.520 4.244 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.030 2.699 7.441 1.00 0.00 H new ATOM 352 N LYS A 24 -5.863 6.291 11.184 1.00 0.00 N ATOM 353 CA LYS A 24 -6.307 7.308 12.129 1.00 0.00 C ATOM 354 C LYS A 24 -5.387 8.522 12.077 1.00 0.00 C ATOM 355 O LYS A 24 -5.843 9.663 12.145 1.00 0.00 O ATOM 356 CB LYS A 24 -6.347 6.738 13.548 1.00 0.00 C ATOM 357 CG LYS A 24 -7.425 5.686 13.751 1.00 0.00 C ATOM 358 CD LYS A 24 -8.739 6.313 14.192 1.00 0.00 C ATOM 359 CE LYS A 24 -9.919 5.405 13.884 1.00 0.00 C ATOM 360 NZ LYS A 24 -11.164 6.180 13.630 1.00 0.00 N ATOM 0 H LYS A 24 -5.312 5.539 11.598 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.313 7.620 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.376 6.301 13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.509 7.553 14.254 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.577 5.135 12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.095 4.965 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.705 6.517 15.262 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.874 7.270 13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.688 4.793 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.080 4.723 14.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.945 5.525 13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.399 6.745 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.019 6.813 12.817 1.00 0.00 H new ATOM 374 N ARG A 25 -4.089 8.268 11.948 1.00 0.00 N ATOM 375 CA ARG A 25 -3.105 9.339 11.876 1.00 0.00 C ATOM 376 C ARG A 25 -3.100 9.978 10.490 1.00 0.00 C ATOM 377 O ARG A 25 -2.723 11.139 10.331 1.00 0.00 O ATOM 378 CB ARG A 25 -1.711 8.804 12.214 1.00 0.00 C ATOM 379 CG ARG A 25 -1.246 9.163 13.617 1.00 0.00 C ATOM 380 CD ARG A 25 -1.780 8.182 14.648 1.00 0.00 C ATOM 381 NE ARG A 25 -3.019 8.651 15.261 1.00 0.00 N ATOM 382 CZ ARG A 25 -3.069 9.559 16.234 1.00 0.00 C ATOM 383 NH1 ARG A 25 -1.949 10.096 16.708 1.00 0.00 N ATOM 384 NH2 ARG A 25 -4.238 9.931 16.735 1.00 0.00 N ATOM 0 H ARG A 25 -3.695 7.329 11.891 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.377 10.101 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.711 7.719 12.106 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.995 9.196 11.491 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.157 9.170 13.650 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.579 10.171 13.865 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.954 7.216 14.173 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.029 8.026 15.423 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.899 8.260 14.924 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.046 9.813 16.326 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.992 10.791 17.453 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.100 9.522 16.375 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.275 10.626 17.480 1.00 0.00 H new ATOM 398 N ILE A 26 -3.525 9.214 9.486 1.00 0.00 N ATOM 399 CA ILE A 26 -3.571 9.707 8.118 1.00 0.00 C ATOM 400 C ILE A 26 -4.809 10.573 7.898 1.00 0.00 C ATOM 401 O ILE A 26 -4.814 11.460 7.044 1.00 0.00 O ATOM 402 CB ILE A 26 -3.570 8.547 7.100 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.308 7.698 7.264 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.673 9.080 5.676 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.034 8.432 6.902 1.00 0.00 C ATOM 0 H ILE A 26 -3.842 8.251 9.598 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.676 10.309 7.961 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.440 7.919 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.241 7.358 8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.395 6.808 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.671 8.246 4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.599 9.645 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.824 9.731 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.180 7.769 7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.080 8.749 5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.923 9.307 7.543 1.00 0.00 H new ATOM 417 N LYS A 27 -5.858 10.309 8.674 1.00 0.00 N ATOM 418 CA LYS A 27 -7.101 11.065 8.562 1.00 0.00 C ATOM 419 C LYS A 27 -7.177 12.154 9.627 1.00 0.00 C ATOM 420 O LYS A 27 -7.760 13.214 9.405 1.00 0.00 O ATOM 421 CB LYS A 27 -8.301 10.127 8.686 1.00 0.00 C ATOM 422 CG LYS A 27 -9.451 10.483 7.759 1.00 0.00 C ATOM 423 CD LYS A 27 -10.797 10.182 8.397 1.00 0.00 C ATOM 424 CE LYS A 27 -11.228 11.295 9.339 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.237 10.825 10.328 1.00 0.00 N ATOM 0 H LYS A 27 -5.871 9.578 9.386 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.120 11.543 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.978 9.108 8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.658 10.142 9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.398 11.541 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.356 9.924 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.549 10.051 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.739 9.242 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.356 11.683 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.644 12.120 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.505 11.613 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.080 10.478 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.832 10.055 10.898 1.00 0.00 H new ATOM 439 N ALA A 28 -6.584 11.884 10.787 1.00 0.00 N ATOM 440 CA ALA A 28 -6.588 12.842 11.887 1.00 0.00 C ATOM 441 C ALA A 28 -5.725 14.055 11.559 1.00 0.00 C ATOM 442 O ALA A 28 -6.137 15.196 11.768 1.00 0.00 O ATOM 443 CB ALA A 28 -6.101 12.178 13.166 1.00 0.00 C ATOM 0 H ALA A 28 -6.096 11.011 10.989 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.612 13.185 12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.109 12.904 13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.758 11.345 13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.086 11.808 13.020 1.00 0.00 H new ATOM 449 N PHE A 29 -4.529 13.801 11.040 1.00 0.00 N ATOM 450 CA PHE A 29 -3.609 14.872 10.680 1.00 0.00 C ATOM 451 C PHE A 29 -3.980 15.484 9.330 1.00 0.00 C ATOM 452 O PHE A 29 -3.534 16.580 8.994 1.00 0.00 O ATOM 453 CB PHE A 29 -2.174 14.345 10.635 1.00 0.00 C ATOM 454 CG PHE A 29 -1.557 14.162 11.993 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.381 15.245 12.840 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.153 12.909 12.422 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.815 15.080 14.090 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.586 12.738 13.670 1.00 0.00 C ATOM 459 CZ PHE A 29 -0.416 13.825 14.505 1.00 0.00 C ATOM 0 H PHE A 29 -4.174 12.862 10.859 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.682 15.649 11.441 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.163 13.391 10.109 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.560 15.035 10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.690 16.229 12.519 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.283 12.055 11.773 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.685 15.932 14.741 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.276 11.755 13.993 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.028 13.694 15.481 1.00 0.00 H new ATOM 469 N GLY A 30 -4.797 14.768 8.560 1.00 0.00 N ATOM 470 CA GLY A 30 -5.208 15.262 7.260 1.00 0.00 C ATOM 471 C GLY A 30 -4.199 14.937 6.176 1.00 0.00 C ATOM 472 O GLY A 30 -3.793 15.814 5.413 1.00 0.00 O ATOM 0 H GLY A 30 -5.180 13.857 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.173 14.828 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.348 16.342 7.312 1.00 0.00 H new ATOM 476 N LEU A 31 -3.791 13.675 6.111 1.00 0.00 N ATOM 477 CA LEU A 31 -2.819 13.236 5.117 1.00 0.00 C ATOM 478 C LEU A 31 -3.510 12.623 3.904 1.00 0.00 C ATOM 479 O LEU A 31 -2.917 11.821 3.181 1.00 0.00 O ATOM 480 CB LEU A 31 -1.853 12.221 5.727 1.00 0.00 C ATOM 481 CG LEU A 31 -0.627 12.820 6.415 1.00 0.00 C ATOM 482 CD1 LEU A 31 0.074 13.815 5.503 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.025 13.479 7.728 1.00 0.00 C ATOM 0 H LEU A 31 -4.118 12.938 6.735 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.260 14.113 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.397 11.616 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.515 11.547 4.940 1.00 0.00 H new ATOM 0 HG LEU A 31 0.073 12.013 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.943 14.228 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.395 13.310 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.613 14.621 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.141 13.901 8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.746 14.273 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.474 12.736 8.387 1.00 0.00 H new ATOM 495 N GLN A 32 -4.759 13.009 3.674 1.00 0.00 N ATOM 496 CA GLN A 32 -5.513 12.490 2.540 1.00 0.00 C ATOM 497 C GLN A 32 -5.138 13.214 1.248 1.00 0.00 C ATOM 498 O GLN A 32 -5.882 13.174 0.268 1.00 0.00 O ATOM 499 CB GLN A 32 -7.015 12.618 2.797 1.00 0.00 C ATOM 500 CG GLN A 32 -7.625 11.375 3.424 1.00 0.00 C ATOM 501 CD GLN A 32 -8.995 11.052 2.862 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.121 10.595 1.725 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.032 11.288 3.657 1.00 0.00 N ATOM 0 H GLN A 32 -5.269 13.676 4.254 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.260 11.436 2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.193 13.471 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.521 12.827 1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.960 10.527 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.703 11.517 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.882 11.667 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.979 11.090 3.333 1.00 0.00 H new ATOM 512 N ASP A 33 -3.976 13.866 1.246 1.00 0.00 N ATOM 513 CA ASP A 33 -3.506 14.581 0.067 1.00 0.00 C ATOM 514 C ASP A 33 -2.490 13.739 -0.701 1.00 0.00 C ATOM 515 O ASP A 33 -2.265 13.954 -1.892 1.00 0.00 O ATOM 516 CB ASP A 33 -2.881 15.919 0.471 1.00 0.00 C ATOM 517 CG ASP A 33 -3.751 17.102 0.091 1.00 0.00 C ATOM 518 OD1 ASP A 33 -4.330 17.081 -1.015 1.00 0.00 O ATOM 519 OD2 ASP A 33 -3.856 18.048 0.901 1.00 0.00 O ATOM 0 H ASP A 33 -3.346 13.912 2.047 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.361 14.773 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.711 15.927 1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.906 16.020 -0.006 1.00 0.00 H new ATOM 524 N LYS A 34 -1.882 12.775 -0.011 1.00 0.00 N ATOM 525 CA LYS A 34 -0.896 11.898 -0.630 1.00 0.00 C ATOM 526 C LYS A 34 -1.381 10.452 -0.629 1.00 0.00 C ATOM 527 O LYS A 34 -1.349 9.776 -1.655 1.00 0.00 O ATOM 528 CB LYS A 34 0.442 12.002 0.104 1.00 0.00 C ATOM 529 CG LYS A 34 1.273 13.207 -0.311 1.00 0.00 C ATOM 530 CD LYS A 34 2.631 12.789 -0.854 1.00 0.00 C ATOM 531 CE LYS A 34 3.369 13.965 -1.475 1.00 0.00 C ATOM 532 NZ LYS A 34 4.377 14.541 -0.543 1.00 0.00 N ATOM 0 H LYS A 34 -2.056 12.584 0.976 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.759 12.216 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.255 12.052 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.018 11.094 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.736 13.776 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.410 13.868 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.231 12.366 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.500 12.005 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.864 13.641 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.652 14.736 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.858 15.340 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.902 14.874 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.076 13.812 -0.294 1.00 0.00 H new ATOM 546 N ILE A 35 -1.836 9.988 0.532 1.00 0.00 N ATOM 547 CA ILE A 35 -2.335 8.625 0.665 1.00 0.00 C ATOM 548 C ILE A 35 -3.764 8.516 0.143 1.00 0.00 C ATOM 549 O ILE A 35 -4.650 9.253 0.575 1.00 0.00 O ATOM 550 CB ILE A 35 -2.295 8.151 2.134 1.00 0.00 C ATOM 551 CG1 ILE A 35 -0.872 8.248 2.687 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.814 6.724 2.251 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.555 9.583 3.319 1.00 0.00 C ATOM 0 H ILE A 35 -1.869 10.536 1.392 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.682 7.986 0.070 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.942 8.801 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.725 7.462 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.164 8.061 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.778 6.408 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.843 6.681 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.193 6.060 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.471 9.576 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.669 10.373 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.238 9.764 4.149 1.00 0.00 H new ATOM 565 N PHE A 36 -3.980 7.594 -0.789 1.00 0.00 N ATOM 566 CA PHE A 36 -5.303 7.393 -1.368 1.00 0.00 C ATOM 567 C PHE A 36 -5.841 6.006 -1.039 1.00 0.00 C ATOM 568 O PHE A 36 -6.870 5.872 -0.377 1.00 0.00 O ATOM 569 CB PHE A 36 -5.254 7.585 -2.884 1.00 0.00 C ATOM 570 CG PHE A 36 -4.620 8.880 -3.299 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.048 10.082 -2.757 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.596 8.896 -4.229 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.467 11.275 -3.137 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.010 10.086 -4.614 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.445 11.278 -4.067 1.00 0.00 C ATOM 0 H PHE A 36 -3.258 6.976 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.975 8.134 -0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.701 6.759 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.268 7.541 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.846 10.085 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.251 7.967 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.811 12.205 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.212 10.085 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.987 12.210 -4.366 1.00 0.00 H new ATOM 585 N GLN A 37 -5.143 4.973 -1.505 1.00 0.00 N ATOM 586 CA GLN A 37 -5.568 3.599 -1.250 1.00 0.00 C ATOM 587 C GLN A 37 -4.668 2.925 -0.221 1.00 0.00 C ATOM 588 O GLN A 37 -3.515 3.311 -0.036 1.00 0.00 O ATOM 589 CB GLN A 37 -5.570 2.787 -2.547 1.00 0.00 C ATOM 590 CG GLN A 37 -6.175 3.525 -3.731 1.00 0.00 C ATOM 591 CD GLN A 37 -7.198 2.691 -4.478 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.298 2.446 -3.982 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.838 2.248 -5.677 1.00 0.00 N ATOM 0 H GLN A 37 -4.289 5.059 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.581 3.636 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.545 2.506 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.124 1.862 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.647 4.443 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.380 3.818 -4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.916 2.475 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.484 1.680 -6.226 1.00 0.00 H new ATOM 602 N VAL A 38 -5.209 1.910 0.445 1.00 0.00 N ATOM 603 CA VAL A 38 -4.468 1.168 1.457 1.00 0.00 C ATOM 604 C VAL A 38 -4.956 -0.277 1.529 1.00 0.00 C ATOM 605 O VAL A 38 -5.659 -0.662 2.465 1.00 0.00 O ATOM 606 CB VAL A 38 -4.598 1.825 2.847 1.00 0.00 C ATOM 607 CG1 VAL A 38 -6.056 1.902 3.271 1.00 0.00 C ATOM 608 CG2 VAL A 38 -3.774 1.070 3.879 1.00 0.00 C ATOM 0 H VAL A 38 -6.164 1.582 0.300 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.418 1.181 1.165 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.210 2.841 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.125 2.368 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.614 2.496 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.475 0.897 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.880 1.550 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.126 0.040 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.725 1.078 3.583 1.00 0.00 H new ATOM 618 N LEU A 39 -4.586 -1.069 0.529 1.00 0.00 N ATOM 619 CA LEU A 39 -4.992 -2.469 0.467 1.00 0.00 C ATOM 620 C LEU A 39 -4.123 -3.338 1.371 1.00 0.00 C ATOM 621 O LEU A 39 -2.906 -3.161 1.442 1.00 0.00 O ATOM 622 CB LEU A 39 -4.914 -2.980 -0.972 1.00 0.00 C ATOM 623 CG LEU A 39 -6.174 -2.761 -1.810 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.338 -3.568 -1.248 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.524 -1.281 -1.869 1.00 0.00 C ATOM 0 H LEU A 39 -4.004 -0.765 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.022 -2.533 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.077 -2.491 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.692 -4.047 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.978 -3.107 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.226 -3.399 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.085 -4.628 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.537 -3.255 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.423 -1.143 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.701 -0.908 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.699 -0.730 -2.320 1.00 0.00 H new ATOM 637 N ILE A 40 -4.760 -4.285 2.052 1.00 0.00 N ATOM 638 CA ILE A 40 -4.052 -5.193 2.945 1.00 0.00 C ATOM 639 C ILE A 40 -3.732 -6.507 2.236 1.00 0.00 C ATOM 640 O ILE A 40 -4.637 -7.223 1.806 1.00 0.00 O ATOM 641 CB ILE A 40 -4.878 -5.494 4.210 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.379 -4.194 4.841 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.048 -6.288 5.208 1.00 0.00 C ATOM 644 CD1 ILE A 40 -4.271 -3.225 5.193 1.00 0.00 C ATOM 0 H ILE A 40 -5.766 -4.443 2.002 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.125 -4.699 3.237 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.743 -6.094 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.070 -3.708 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.943 -4.431 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.645 -6.493 6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.737 -7.229 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.167 -5.711 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.701 -2.326 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.592 -3.692 5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.721 -2.958 4.291 1.00 0.00 H new ATOM 656 N PRO A 41 -2.436 -6.845 2.096 1.00 0.00 N ATOM 657 CA PRO A 41 -2.015 -8.081 1.428 1.00 0.00 C ATOM 658 C PRO A 41 -2.513 -9.332 2.144 1.00 0.00 C ATOM 659 O PRO A 41 -1.837 -9.867 3.023 1.00 0.00 O ATOM 660 CB PRO A 41 -0.484 -8.014 1.467 1.00 0.00 C ATOM 661 CG PRO A 41 -0.165 -7.053 2.559 1.00 0.00 C ATOM 662 CD PRO A 41 -1.287 -6.056 2.569 1.00 0.00 C ATOM 0 HA PRO A 41 -2.424 -8.151 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.052 -8.995 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.080 -7.675 0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.088 -7.564 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.792 -6.563 2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.459 -5.652 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.081 -5.210 1.913 1.00 0.00 H new ATOM 670 N THR A 42 -3.698 -9.795 1.759 1.00 0.00 N ATOM 671 CA THR A 42 -4.288 -10.987 2.359 1.00 0.00 C ATOM 672 C THR A 42 -4.875 -11.901 1.289 1.00 0.00 C ATOM 673 O THR A 42 -5.237 -11.450 0.204 1.00 0.00 O ATOM 674 CB THR A 42 -5.374 -10.596 3.362 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.327 -9.738 2.761 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.832 -9.893 4.589 1.00 0.00 C ATOM 0 H THR A 42 -4.269 -9.362 1.033 1.00 0.00 H new ATOM 0 HA THR A 42 -3.499 -11.528 2.881 1.00 0.00 H new ATOM 0 HB THR A 42 -5.830 -11.536 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.903 -8.883 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.655 -9.644 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.131 -10.549 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.319 -8.979 4.288 1.00 0.00 H new ATOM 948 N LYS A 59 -6.806 -14.241 4.599 1.00 0.00 N ATOM 949 CA LYS A 59 -5.582 -14.893 5.056 1.00 0.00 C ATOM 950 C LYS A 59 -4.391 -13.941 4.947 1.00 0.00 C ATOM 951 O LYS A 59 -4.561 -12.727 4.875 1.00 0.00 O ATOM 952 CB LYS A 59 -5.324 -16.163 4.241 1.00 0.00 C ATOM 953 CG LYS A 59 -4.837 -17.334 5.080 1.00 0.00 C ATOM 954 CD LYS A 59 -5.761 -18.536 4.954 1.00 0.00 C ATOM 955 CE LYS A 59 -5.158 -19.771 5.601 1.00 0.00 C ATOM 956 NZ LYS A 59 -4.539 -20.679 4.594 1.00 0.00 N ATOM 0 HA LYS A 59 -5.707 -15.167 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.243 -16.450 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.585 -15.946 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.831 -17.613 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.773 -17.032 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.719 -18.310 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.959 -18.735 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.405 -19.469 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.932 -20.309 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.139 -21.510 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.263 -20.988 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.783 -20.174 4.089 1.00 0.00 H new ATOM 970 N LYS A 60 -3.185 -14.500 4.940 1.00 0.00 N ATOM 971 CA LYS A 60 -1.972 -13.695 4.844 1.00 0.00 C ATOM 972 C LYS A 60 -1.260 -13.931 3.516 1.00 0.00 C ATOM 973 O LYS A 60 -0.745 -15.021 3.260 1.00 0.00 O ATOM 974 CB LYS A 60 -1.030 -14.015 6.006 1.00 0.00 C ATOM 975 CG LYS A 60 -1.698 -13.940 7.369 1.00 0.00 C ATOM 976 CD LYS A 60 -0.751 -13.395 8.426 1.00 0.00 C ATOM 977 CE LYS A 60 -1.475 -13.112 9.730 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.863 -11.974 10.470 1.00 0.00 N ATOM 0 H LYS A 60 -3.022 -15.505 5.000 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.260 -12.645 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.621 -15.015 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.190 -13.321 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.581 -13.304 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.040 -14.932 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.051 -14.112 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.285 -12.480 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.522 -12.889 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.457 -14.004 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.386 -11.813 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.129 -12.196 10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.903 -11.116 9.883 1.00 0.00 H new ATOM 992 N LEU A 61 -1.231 -12.901 2.678 1.00 0.00 N ATOM 993 CA LEU A 61 -0.581 -12.987 1.375 1.00 0.00 C ATOM 994 C LEU A 61 0.883 -12.573 1.476 1.00 0.00 C ATOM 995 O LEU A 61 1.783 -13.339 1.133 1.00 0.00 O ATOM 996 CB LEU A 61 -1.305 -12.096 0.362 1.00 0.00 C ATOM 997 CG LEU A 61 -2.188 -12.835 -0.646 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.737 -11.865 -1.682 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.407 -13.954 -1.322 1.00 0.00 C ATOM 0 H LEU A 61 -1.652 -11.994 2.878 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.628 -14.022 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.923 -11.383 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.561 -11.519 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.027 -13.279 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.363 -12.406 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.332 -11.099 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.910 -11.394 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.051 -14.468 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.549 -13.534 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.061 -14.663 -0.569 1.00 0.00 H new ATOM 1011 N PHE A 62 1.110 -11.352 1.950 1.00 0.00 N ATOM 1012 CA PHE A 62 2.461 -10.826 2.102 1.00 0.00 C ATOM 1013 C PHE A 62 2.747 -10.494 3.565 1.00 0.00 C ATOM 1014 O PHE A 62 2.539 -9.364 4.008 1.00 0.00 O ATOM 1015 CB PHE A 62 2.647 -9.582 1.229 1.00 0.00 C ATOM 1016 CG PHE A 62 2.436 -9.845 -0.236 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.157 -9.895 -0.767 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.515 -10.044 -1.083 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.957 -10.137 -2.113 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.322 -10.286 -2.431 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.040 -10.333 -2.946 1.00 0.00 C ATOM 0 H PHE A 62 0.373 -10.707 2.236 1.00 0.00 H new ATOM 0 HA PHE A 62 3.167 -11.590 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.951 -8.810 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.652 -9.189 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.305 -9.743 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.519 -10.010 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.046 -10.173 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.172 -10.438 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.886 -10.523 -3.998 1.00 0.00 H new ATOM 1031 N PRO A 63 3.227 -11.484 4.337 1.00 0.00 N ATOM 1032 CA PRO A 63 3.537 -11.300 5.759 1.00 0.00 C ATOM 1033 C PRO A 63 4.414 -10.079 6.015 1.00 0.00 C ATOM 1034 O PRO A 63 5.565 -10.027 5.582 1.00 0.00 O ATOM 1035 CB PRO A 63 4.286 -12.582 6.127 1.00 0.00 C ATOM 1036 CG PRO A 63 3.779 -13.602 5.167 1.00 0.00 C ATOM 1037 CD PRO A 63 3.498 -12.863 3.887 1.00 0.00 C ATOM 0 HA PRO A 63 2.637 -11.128 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.364 -12.452 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.088 -12.875 7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.516 -14.390 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.877 -14.081 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.348 -12.903 3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.645 -13.287 3.358 1.00 0.00 H new ATOM 1045 N GLY A 64 3.863 -9.102 6.727 1.00 0.00 N ATOM 1046 CA GLY A 64 4.608 -7.896 7.036 1.00 0.00 C ATOM 1047 C GLY A 64 4.681 -6.935 5.866 1.00 0.00 C ATOM 1048 O GLY A 64 5.726 -6.337 5.613 1.00 0.00 O ATOM 0 H GLY A 64 2.912 -9.124 7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.142 -7.394 7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.619 -8.167 7.341 1.00 0.00 H new ATOM 1052 N TYR A 65 3.571 -6.784 5.152 1.00 0.00 N ATOM 1053 CA TYR A 65 3.521 -5.885 4.004 1.00 0.00 C ATOM 1054 C TYR A 65 2.217 -5.091 3.985 1.00 0.00 C ATOM 1055 O TYR A 65 1.174 -5.580 4.416 1.00 0.00 O ATOM 1056 CB TYR A 65 3.668 -6.671 2.702 1.00 0.00 C ATOM 1057 CG TYR A 65 5.106 -6.935 2.312 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.816 -7.990 2.872 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.752 -6.128 1.383 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.128 -8.234 2.517 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.065 -6.366 1.023 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.749 -7.420 1.593 1.00 0.00 C ATOM 1063 OH TYR A 65 9.055 -7.659 1.237 1.00 0.00 O ATOM 0 H TYR A 65 2.696 -7.271 5.347 1.00 0.00 H new ATOM 0 HA TYR A 65 4.351 -5.184 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.147 -7.623 2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.178 -6.122 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.334 -8.630 3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.220 -5.302 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.666 -9.059 2.961 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.553 -5.730 0.299 1.00 0.00 H new ATOM 0 HH TYR A 65 9.643 -7.454 1.994 1.00 0.00 H new ATOM 1073 N LEU A 66 2.289 -3.866 3.477 1.00 0.00 N ATOM 1074 CA LEU A 66 1.117 -2.999 3.393 1.00 0.00 C ATOM 1075 C LEU A 66 1.183 -2.133 2.140 1.00 0.00 C ATOM 1076 O LEU A 66 2.046 -1.266 2.021 1.00 0.00 O ATOM 1077 CB LEU A 66 1.018 -2.113 4.636 1.00 0.00 C ATOM 1078 CG LEU A 66 0.317 -2.755 5.835 1.00 0.00 C ATOM 1079 CD1 LEU A 66 1.316 -3.506 6.699 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.411 -1.699 6.652 1.00 0.00 C ATOM 0 H LEU A 66 3.147 -3.449 3.116 1.00 0.00 H new ATOM 0 HA LEU A 66 0.229 -3.628 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.024 -1.821 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.487 -1.199 4.371 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.417 -3.470 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.798 -3.956 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.792 -4.288 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.075 -2.814 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.904 -2.172 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.305 -0.961 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.156 -1.206 6.028 1.00 0.00 H new ATOM 1092 N PHE A 67 0.270 -2.377 1.203 1.00 0.00 N ATOM 1093 CA PHE A 67 0.235 -1.621 -0.045 1.00 0.00 C ATOM 1094 C PHE A 67 -0.546 -0.322 0.119 1.00 0.00 C ATOM 1095 O PHE A 67 -1.697 -0.328 0.556 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.382 -2.464 -1.161 1.00 0.00 C ATOM 1097 CG PHE A 67 0.134 -3.876 -1.211 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.465 -4.156 -0.937 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.715 -4.923 -1.531 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.938 -5.454 -0.982 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.246 -6.222 -1.579 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.081 -6.488 -1.304 1.00 0.00 C ATOM 0 H PHE A 67 -0.454 -3.091 1.284 1.00 0.00 H new ATOM 0 HA PHE A 67 1.262 -1.371 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.464 -2.487 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.186 -1.981 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.139 -3.351 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.754 -4.722 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.976 -5.659 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.917 -7.029 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.448 -7.503 -1.341 1.00 0.00 H new ATOM 1112 N ILE A 68 0.088 0.791 -0.240 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.548 2.099 -0.138 1.00 0.00 C ATOM 1114 C ILE A 68 -0.403 2.874 -1.443 1.00 0.00 C ATOM 1115 O ILE A 68 0.706 3.224 -1.847 1.00 0.00 O ATOM 1116 CB ILE A 68 0.053 2.947 1.006 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.416 2.068 2.208 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.921 4.041 1.418 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.907 1.911 2.409 1.00 0.00 C ATOM 0 H ILE A 68 1.041 0.812 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.601 1.916 0.075 1.00 0.00 H new ATOM 0 HB ILE A 68 0.969 3.413 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.021 2.499 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.031 1.083 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.486 4.631 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.124 4.688 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.852 3.589 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.092 1.277 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.347 1.452 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.357 2.890 2.572 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.527 3.148 -2.096 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.513 3.891 -3.350 1.00 0.00 C ATOM 1133 C GLN A 69 -1.375 5.383 -3.080 1.00 0.00 C ATOM 1134 O GLN A 69 -2.327 6.147 -3.245 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.788 3.625 -4.152 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.804 4.309 -5.508 1.00 0.00 C ATOM 1137 CD GLN A 69 -2.306 3.411 -6.623 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -1.111 3.132 -6.725 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -3.223 2.956 -7.470 1.00 0.00 N ATOM 0 H GLN A 69 -2.455 2.868 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.657 3.554 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.901 2.550 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.648 3.962 -3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.820 4.633 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.185 5.205 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.203 3.213 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.947 2.350 -8.243 1.00 0.00 H new ATOM 1148 N MET A 70 -0.181 5.784 -2.653 1.00 0.00 N ATOM 1149 CA MET A 70 0.098 7.185 -2.354 1.00 0.00 C ATOM 1150 C MET A 70 0.652 7.905 -3.581 1.00 0.00 C ATOM 1151 O MET A 70 0.775 7.315 -4.653 1.00 0.00 O ATOM 1152 CB MET A 70 1.067 7.313 -1.172 1.00 0.00 C ATOM 1153 CG MET A 70 2.279 6.400 -1.251 1.00 0.00 C ATOM 1154 SD MET A 70 3.113 6.212 0.338 1.00 0.00 S ATOM 1155 CE MET A 70 3.010 7.878 0.987 1.00 0.00 C ATOM 0 H MET A 70 0.610 5.157 -2.506 1.00 0.00 H new ATOM 0 HA MET A 70 -0.843 7.659 -2.075 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.409 8.346 -1.109 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.526 7.100 -0.250 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.968 5.420 -1.612 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.983 6.799 -1.981 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.910 8.102 1.559 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.919 8.585 0.162 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.138 7.963 1.635 1.00 0.00 H new ATOM 1165 N ASP A 71 0.985 9.183 -3.416 1.00 0.00 N ATOM 1166 CA ASP A 71 1.526 9.978 -4.514 1.00 0.00 C ATOM 1167 C ASP A 71 2.903 10.534 -4.165 1.00 0.00 C ATOM 1168 O ASP A 71 3.029 11.684 -3.742 1.00 0.00 O ATOM 1169 CB ASP A 71 0.576 11.127 -4.855 1.00 0.00 C ATOM 1170 CG ASP A 71 0.967 11.842 -6.132 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.714 11.291 -7.224 1.00 0.00 O ATOM 1172 OD2 ASP A 71 1.528 12.954 -6.043 1.00 0.00 O ATOM 0 H ASP A 71 0.890 9.688 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 71 1.628 9.325 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.438 10.739 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.564 11.841 -4.031 1.00 0.00 H new ATOM 1177 N LEU A 72 3.934 9.715 -4.349 1.00 0.00 N ATOM 1178 CA LEU A 72 5.302 10.132 -4.057 1.00 0.00 C ATOM 1179 C LEU A 72 6.157 10.115 -5.320 1.00 0.00 C ATOM 1180 O LEU A 72 7.014 10.978 -5.513 1.00 0.00 O ATOM 1181 CB LEU A 72 5.922 9.221 -2.996 1.00 0.00 C ATOM 1182 CG LEU A 72 4.998 8.865 -1.830 1.00 0.00 C ATOM 1183 CD1 LEU A 72 5.733 8.008 -0.809 1.00 0.00 C ATOM 1184 CD2 LEU A 72 4.451 10.126 -1.179 1.00 0.00 C ATOM 0 H LEU A 72 3.849 8.760 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 72 5.269 11.152 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.248 8.298 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.814 9.706 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 72 4.158 8.289 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.060 7.764 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.074 7.088 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.592 8.557 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.796 9.853 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.277 10.730 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.887 10.700 -1.914 1.00 0.00 H new ATOM 1245 N GLU A 77 10.800 14.127 -2.525 1.00 0.00 N ATOM 1246 CA GLU A 77 10.737 13.074 -1.516 1.00 0.00 C ATOM 1247 C GLU A 77 9.490 13.225 -0.648 1.00 0.00 C ATOM 1248 O GLU A 77 9.014 14.337 -0.417 1.00 0.00 O ATOM 1249 CB GLU A 77 11.989 13.102 -0.640 1.00 0.00 C ATOM 1250 CG GLU A 77 12.329 14.485 -0.107 1.00 0.00 C ATOM 1251 CD GLU A 77 13.489 15.125 -0.844 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.650 14.854 -0.472 1.00 0.00 O ATOM 1253 OE2 GLU A 77 13.237 15.898 -1.792 1.00 0.00 O ATOM 0 HA GLU A 77 10.685 12.115 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.849 12.422 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.834 12.726 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.452 15.128 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.573 14.412 0.953 1.00 0.00 H new ATOM 1260 N PRO A 78 8.942 12.102 -0.152 1.00 0.00 N ATOM 1261 CA PRO A 78 7.746 12.112 0.696 1.00 0.00 C ATOM 1262 C PRO A 78 8.033 12.650 2.094 1.00 0.00 C ATOM 1263 O PRO A 78 8.684 11.989 2.903 1.00 0.00 O ATOM 1264 CB PRO A 78 7.349 10.637 0.761 1.00 0.00 C ATOM 1265 CG PRO A 78 8.626 9.896 0.565 1.00 0.00 C ATOM 1266 CD PRO A 78 9.447 10.733 -0.377 1.00 0.00 C ATOM 0 HA PRO A 78 6.966 12.761 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.891 10.391 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.623 10.387 -0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.144 9.753 1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.443 8.905 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.512 10.657 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.312 10.421 -1.413 1.00 0.00 H new ATOM 1274 N ASN A 79 7.546 13.855 2.370 1.00 0.00 N ATOM 1275 CA ASN A 79 7.755 14.485 3.669 1.00 0.00 C ATOM 1276 C ASN A 79 6.632 14.131 4.641 1.00 0.00 C ATOM 1277 O ASN A 79 6.807 13.296 5.528 1.00 0.00 O ATOM 1278 CB ASN A 79 7.850 16.003 3.513 1.00 0.00 C ATOM 1279 CG ASN A 79 9.101 16.431 2.771 1.00 0.00 C ATOM 1280 OD1 ASN A 79 9.087 16.277 1.452 1.00 0.00 O flip ATOM 1281 ND2 ASN A 79 10.068 16.894 3.375 1.00 0.00 N flip ATOM 0 H ASN A 79 7.004 14.415 1.712 1.00 0.00 H new ATOM 0 HA ASN A 79 8.692 14.107 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.972 16.366 2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.839 16.468 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.035 16.995 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.902 17.177 2.861 1.00 0.00 H new ATOM 1288 N GLU A 80 5.482 14.778 4.473 1.00 0.00 N ATOM 1289 CA GLU A 80 4.330 14.540 5.340 1.00 0.00 C ATOM 1290 C GLU A 80 3.965 13.061 5.395 1.00 0.00 C ATOM 1291 O GLU A 80 4.045 12.428 6.447 1.00 0.00 O ATOM 1292 CB GLU A 80 3.128 15.353 4.856 1.00 0.00 C ATOM 1293 CG GLU A 80 3.462 16.800 4.533 1.00 0.00 C ATOM 1294 CD GLU A 80 2.225 17.671 4.418 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.297 17.495 5.235 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.187 18.529 3.512 1.00 0.00 O ATOM 0 H GLU A 80 5.322 15.473 3.743 1.00 0.00 H new ATOM 0 HA GLU A 80 4.603 14.858 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.713 14.878 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.353 15.330 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.114 17.201 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.019 16.841 3.597 1.00 0.00 H new ATOM 1303 N ALA A 81 3.556 12.522 4.255 1.00 0.00 N ATOM 1304 CA ALA A 81 3.162 11.119 4.160 1.00 0.00 C ATOM 1305 C ALA A 81 4.182 10.196 4.823 1.00 0.00 C ATOM 1306 O ALA A 81 3.824 9.157 5.376 1.00 0.00 O ATOM 1307 CB ALA A 81 2.966 10.727 2.703 1.00 0.00 C ATOM 0 H ALA A 81 3.487 13.037 3.377 1.00 0.00 H new ATOM 0 HA ALA A 81 2.219 11.004 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.672 9.679 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.186 11.347 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.899 10.873 2.158 1.00 0.00 H new ATOM 1313 N TRP A 82 5.453 10.580 4.764 1.00 0.00 N ATOM 1314 CA TRP A 82 6.519 9.778 5.357 1.00 0.00 C ATOM 1315 C TRP A 82 6.723 10.134 6.826 1.00 0.00 C ATOM 1316 O TRP A 82 7.138 9.295 7.625 1.00 0.00 O ATOM 1317 CB TRP A 82 7.825 9.976 4.583 1.00 0.00 C ATOM 1318 CG TRP A 82 8.784 8.835 4.733 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.111 8.918 5.038 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.493 7.440 4.579 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.664 7.661 5.088 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.690 6.737 4.811 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.336 6.717 4.272 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.764 5.348 4.744 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.411 5.337 4.206 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.616 4.667 4.441 1.00 0.00 C ATOM 0 H TRP A 82 5.770 11.438 4.313 1.00 0.00 H new ATOM 0 HA TRP A 82 6.224 8.730 5.298 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.595 10.111 3.526 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.306 10.893 4.925 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.649 9.838 5.215 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.640 7.450 5.297 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.401 7.226 4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.693 4.827 4.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.524 4.768 3.969 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.641 3.589 4.382 1.00 0.00 H new ATOM 1337 N GLU A 83 6.431 11.382 7.176 1.00 0.00 N ATOM 1338 CA GLU A 83 6.584 11.846 8.550 1.00 0.00 C ATOM 1339 C GLU A 83 5.625 11.115 9.483 1.00 0.00 C ATOM 1340 O GLU A 83 5.914 10.930 10.665 1.00 0.00 O ATOM 1341 CB GLU A 83 6.342 13.355 8.631 1.00 0.00 C ATOM 1342 CG GLU A 83 7.600 14.184 8.420 1.00 0.00 C ATOM 1343 CD GLU A 83 8.571 14.075 9.578 1.00 0.00 C ATOM 1344 OE1 GLU A 83 9.179 12.995 9.744 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.724 15.068 10.320 1.00 0.00 O ATOM 0 H GLU A 83 6.087 12.090 6.527 1.00 0.00 H new ATOM 0 HA GLU A 83 7.604 11.631 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.601 13.637 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.918 13.595 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.095 13.860 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.323 15.229 8.280 1.00 0.00 H new ATOM 1352 N VAL A 84 4.482 10.703 8.945 1.00 0.00 N ATOM 1353 CA VAL A 84 3.481 9.993 9.732 1.00 0.00 C ATOM 1354 C VAL A 84 3.770 8.495 9.765 1.00 0.00 C ATOM 1355 O VAL A 84 3.775 7.880 10.831 1.00 0.00 O ATOM 1356 CB VAL A 84 2.064 10.216 9.173 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.019 9.637 10.114 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.812 11.697 8.932 1.00 0.00 C ATOM 0 H VAL A 84 4.226 10.848 7.968 1.00 0.00 H new ATOM 0 HA VAL A 84 3.532 10.395 10.744 1.00 0.00 H new ATOM 0 HB VAL A 84 1.986 9.697 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.024 9.805 9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.188 8.566 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.095 10.124 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.806 11.835 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.911 12.241 9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.539 12.078 8.215 1.00 0.00 H new ATOM 1368 N VAL A 85 4.008 7.916 8.593 1.00 0.00 N ATOM 1369 CA VAL A 85 4.296 6.490 8.488 1.00 0.00 C ATOM 1370 C VAL A 85 5.547 6.121 9.280 1.00 0.00 C ATOM 1371 O VAL A 85 5.590 5.086 9.946 1.00 0.00 O ATOM 1372 CB VAL A 85 4.484 6.062 7.019 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.647 4.552 6.917 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.315 6.536 6.169 1.00 0.00 C ATOM 0 H VAL A 85 4.007 8.412 7.702 1.00 0.00 H new ATOM 0 HA VAL A 85 3.438 5.962 8.905 1.00 0.00 H new ATOM 0 HB VAL A 85 5.393 6.529 6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.778 4.270 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.521 4.241 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.759 4.062 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.466 6.224 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.390 6.101 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.250 7.623 6.214 1.00 0.00 H new ATOM 1384 N ARG A 86 6.567 6.972 9.199 1.00 0.00 N ATOM 1385 CA ARG A 86 7.821 6.733 9.904 1.00 0.00 C ATOM 1386 C ARG A 86 7.673 6.970 11.405 1.00 0.00 C ATOM 1387 O ARG A 86 8.461 6.461 12.202 1.00 0.00 O ATOM 1388 CB ARG A 86 8.923 7.635 9.342 1.00 0.00 C ATOM 1389 CG ARG A 86 10.313 7.026 9.429 1.00 0.00 C ATOM 1390 CD ARG A 86 11.044 7.103 8.098 1.00 0.00 C ATOM 1391 NE ARG A 86 11.627 8.423 7.869 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.787 8.822 8.390 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.482 8.011 9.178 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.248 10.036 8.125 1.00 0.00 N ATOM 0 H ARG A 86 6.549 7.833 8.652 1.00 0.00 H new ATOM 0 HA ARG A 86 8.094 5.689 9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.699 7.861 8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.916 8.582 9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.891 7.546 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.235 5.985 9.742 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.831 6.350 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.351 6.867 7.290 1.00 0.00 H new ATOM 0 HE ARG A 86 11.117 9.077 7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.129 7.077 9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.369 8.321 9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.715 10.664 7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.136 10.343 8.523 1.00 0.00 H new ATOM 1408 N GLY A 87 6.665 7.749 11.788 1.00 0.00 N ATOM 1409 CA GLY A 87 6.447 8.036 13.194 1.00 0.00 C ATOM 1410 C GLY A 87 5.229 7.332 13.764 1.00 0.00 C ATOM 1411 O GLY A 87 4.808 7.622 14.884 1.00 0.00 O ATOM 0 H GLY A 87 5.998 8.185 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.329 7.738 13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.332 9.112 13.325 1.00 0.00 H new ATOM 1415 N THR A 88 4.659 6.405 12.999 1.00 0.00 N ATOM 1416 CA THR A 88 3.484 5.667 13.448 1.00 0.00 C ATOM 1417 C THR A 88 3.892 4.392 14.188 1.00 0.00 C ATOM 1418 O THR A 88 4.783 3.668 13.744 1.00 0.00 O ATOM 1419 CB THR A 88 2.586 5.317 12.260 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.321 5.345 11.050 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.409 6.258 12.105 1.00 0.00 C ATOM 0 H THR A 88 4.991 6.148 12.069 1.00 0.00 H new ATOM 0 HA THR A 88 2.928 6.304 14.136 1.00 0.00 H new ATOM 0 HB THR A 88 2.207 4.316 12.467 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.511 6.274 10.804 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.812 5.955 11.245 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.794 6.223 13.004 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.773 7.274 11.954 1.00 0.00 H new ATOM 1429 N PRO A 89 3.244 4.097 15.331 1.00 0.00 N ATOM 1430 CA PRO A 89 3.549 2.900 16.121 1.00 0.00 C ATOM 1431 C PRO A 89 3.437 1.622 15.299 1.00 0.00 C ATOM 1432 O PRO A 89 2.377 1.311 14.756 1.00 0.00 O ATOM 1433 CB PRO A 89 2.488 2.914 17.226 1.00 0.00 C ATOM 1434 CG PRO A 89 2.058 4.337 17.327 1.00 0.00 C ATOM 1435 CD PRO A 89 2.166 4.899 15.938 1.00 0.00 C ATOM 0 HA PRO A 89 4.572 2.914 16.496 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.649 2.265 16.976 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.897 2.557 18.171 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.036 4.411 17.700 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.692 4.888 18.022 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.230 4.797 15.389 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.413 5.961 15.952 1.00 0.00 H new ATOM 1443 N GLY A 90 4.538 0.882 15.209 1.00 0.00 N ATOM 1444 CA GLY A 90 4.539 -0.355 14.449 1.00 0.00 C ATOM 1445 C GLY A 90 5.579 -0.369 13.342 1.00 0.00 C ATOM 1446 O GLY A 90 5.812 -1.404 12.717 1.00 0.00 O ATOM 0 H GLY A 90 5.428 1.116 15.648 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.724 -1.190 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.551 -0.509 14.014 1.00 0.00 H new ATOM 1450 N ILE A 91 6.204 0.779 13.094 1.00 0.00 N ATOM 1451 CA ILE A 91 7.220 0.884 12.053 1.00 0.00 C ATOM 1452 C ILE A 91 8.562 0.343 12.539 1.00 0.00 C ATOM 1453 O ILE A 91 9.452 1.104 12.918 1.00 0.00 O ATOM 1454 CB ILE A 91 7.397 2.344 11.585 1.00 0.00 C ATOM 1455 CG1 ILE A 91 8.440 2.427 10.467 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.793 3.236 12.754 1.00 0.00 C ATOM 1457 CD1 ILE A 91 8.007 1.750 9.184 1.00 0.00 C ATOM 0 H ILE A 91 6.025 1.647 13.599 1.00 0.00 H new ATOM 0 HA ILE A 91 6.877 0.284 11.211 1.00 0.00 H new ATOM 0 HB ILE A 91 6.444 2.697 11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.656 3.475 10.260 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.368 1.972 10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.913 4.261 12.405 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.016 3.201 13.518 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.734 2.884 13.178 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.795 1.848 8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.819 0.694 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.096 2.220 8.814 1.00 0.00 H new ATOM 1567 N ARG A 100 13.704 3.619 1.301 1.00 0.00 N ATOM 1568 CA ARG A 100 12.877 3.016 2.341 1.00 0.00 C ATOM 1569 C ARG A 100 11.606 2.412 1.746 1.00 0.00 C ATOM 1570 O ARG A 100 11.255 1.271 2.049 1.00 0.00 O ATOM 1571 CB ARG A 100 12.516 4.050 3.414 1.00 0.00 C ATOM 1572 CG ARG A 100 13.622 5.056 3.694 1.00 0.00 C ATOM 1573 CD ARG A 100 13.793 5.305 5.185 1.00 0.00 C ATOM 1574 NE ARG A 100 15.198 5.267 5.589 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.051 6.271 5.395 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.648 7.390 4.807 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.311 6.153 5.792 1.00 0.00 N ATOM 0 HA ARG A 100 13.455 2.217 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.620 4.587 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.269 3.529 4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.560 4.691 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.394 5.996 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.368 6.275 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.234 4.554 5.744 1.00 0.00 H new ATOM 0 HE ARG A 100 15.544 4.423 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.680 7.485 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.306 8.155 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.625 5.295 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.966 6.921 5.644 1.00 0.00 H new ATOM 1591 N PRO A 101 10.893 3.165 0.887 1.00 0.00 N ATOM 1592 CA PRO A 101 9.659 2.689 0.254 1.00 0.00 C ATOM 1593 C PRO A 101 9.917 1.543 -0.720 1.00 0.00 C ATOM 1594 O PRO A 101 11.056 1.112 -0.898 1.00 0.00 O ATOM 1595 CB PRO A 101 9.126 3.919 -0.498 1.00 0.00 C ATOM 1596 CG PRO A 101 9.894 5.080 0.044 1.00 0.00 C ATOM 1597 CD PRO A 101 11.226 4.533 0.462 1.00 0.00 C ATOM 0 HA PRO A 101 8.958 2.294 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.275 3.817 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.056 4.046 -0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.011 5.858 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.375 5.532 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.942 4.539 -0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.666 5.113 1.273 1.00 0.00 H new ATOM 1605 N VAL A 102 8.851 1.053 -1.350 1.00 0.00 N ATOM 1606 CA VAL A 102 8.968 -0.042 -2.306 1.00 0.00 C ATOM 1607 C VAL A 102 7.752 -0.098 -3.232 1.00 0.00 C ATOM 1608 O VAL A 102 6.827 -0.880 -3.012 1.00 0.00 O ATOM 1609 CB VAL A 102 9.125 -1.399 -1.588 1.00 0.00 C ATOM 1610 CG1 VAL A 102 7.948 -1.657 -0.659 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.280 -2.527 -2.598 1.00 0.00 C ATOM 0 H VAL A 102 7.900 1.397 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 102 9.861 0.149 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 102 10.030 -1.362 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.080 -2.619 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.896 -0.867 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.024 -1.670 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.389 -3.475 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.398 -2.567 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.164 -2.348 -3.210 1.00 0.00 H new ATOM 1621 N PRO A 103 7.740 0.735 -4.287 1.00 0.00 N ATOM 1622 CA PRO A 103 6.634 0.776 -5.248 1.00 0.00 C ATOM 1623 C PRO A 103 6.630 -0.432 -6.180 1.00 0.00 C ATOM 1624 O PRO A 103 7.623 -0.712 -6.852 1.00 0.00 O ATOM 1625 CB PRO A 103 6.905 2.057 -6.036 1.00 0.00 C ATOM 1626 CG PRO A 103 8.382 2.235 -5.969 1.00 0.00 C ATOM 1627 CD PRO A 103 8.804 1.701 -4.626 1.00 0.00 C ATOM 0 HA PRO A 103 5.662 0.757 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.563 1.968 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.383 2.909 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.877 1.695 -6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.654 3.285 -6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.781 1.221 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.876 2.495 -3.883 1.00 0.00 H new ATOM 1635 N LEU A 104 5.508 -1.144 -6.218 1.00 0.00 N ATOM 1636 CA LEU A 104 5.380 -2.321 -7.071 1.00 0.00 C ATOM 1637 C LEU A 104 5.119 -1.915 -8.517 1.00 0.00 C ATOM 1638 O LEU A 104 4.894 -0.741 -8.812 1.00 0.00 O ATOM 1639 CB LEU A 104 4.248 -3.228 -6.576 1.00 0.00 C ATOM 1640 CG LEU A 104 4.201 -3.475 -5.062 1.00 0.00 C ATOM 1641 CD1 LEU A 104 5.602 -3.486 -4.465 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.335 -2.428 -4.380 1.00 0.00 C ATOM 0 H LEU A 104 4.676 -0.927 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 104 6.320 -2.871 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.298 -2.791 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.334 -4.191 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 104 3.757 -4.456 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.539 -3.663 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.189 -4.278 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.082 -2.525 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.312 -2.618 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.749 -1.437 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.322 -2.478 -4.779 1.00 0.00 H new ATOM 1654 N SER A 105 5.144 -2.894 -9.415 1.00 0.00 N ATOM 1655 CA SER A 105 4.907 -2.639 -10.831 1.00 0.00 C ATOM 1656 C SER A 105 3.422 -2.763 -11.163 1.00 0.00 C ATOM 1657 O SER A 105 2.706 -3.557 -10.552 1.00 0.00 O ATOM 1658 CB SER A 105 5.717 -3.615 -11.688 1.00 0.00 C ATOM 1659 OG SER A 105 5.203 -4.932 -11.586 1.00 0.00 O ATOM 0 H SER A 105 5.326 -3.871 -9.187 1.00 0.00 H new ATOM 0 HA SER A 105 5.227 -1.621 -11.052 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.696 -3.293 -12.729 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.760 -3.603 -11.371 1.00 0.00 H new ATOM 0 HG SER A 105 4.808 -5.196 -12.443 1.00 0.00 H new ATOM 1665 N PRO A 106 2.936 -1.976 -12.137 1.00 0.00 N ATOM 1666 CA PRO A 106 1.528 -2.003 -12.546 1.00 0.00 C ATOM 1667 C PRO A 106 1.038 -3.418 -12.838 1.00 0.00 C ATOM 1668 O PRO A 106 -0.143 -3.724 -12.671 1.00 0.00 O ATOM 1669 CB PRO A 106 1.510 -1.157 -13.818 1.00 0.00 C ATOM 1670 CG PRO A 106 2.669 -0.232 -13.673 1.00 0.00 C ATOM 1671 CD PRO A 106 3.720 -0.999 -12.917 1.00 0.00 C ATOM 0 HA PRO A 106 0.869 -1.629 -11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.608 -1.778 -14.708 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.574 -0.607 -13.915 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.041 0.083 -14.648 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.382 0.671 -13.135 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.420 -1.492 -13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.306 -0.346 -12.270 1.00 0.00 H new ATOM 1679 N ASP A 107 1.952 -4.277 -13.278 1.00 0.00 N ATOM 1680 CA ASP A 107 1.614 -5.659 -13.594 1.00 0.00 C ATOM 1681 C ASP A 107 1.464 -6.488 -12.322 1.00 0.00 C ATOM 1682 O ASP A 107 0.544 -7.296 -12.201 1.00 0.00 O ATOM 1683 CB ASP A 107 2.686 -6.277 -14.494 1.00 0.00 C ATOM 1684 CG ASP A 107 2.518 -5.880 -15.948 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.183 -4.706 -16.208 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.721 -6.745 -16.825 1.00 0.00 O ATOM 0 H ASP A 107 2.933 -4.039 -13.424 1.00 0.00 H new ATOM 0 HA ASP A 107 0.661 -5.660 -14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.671 -5.967 -14.147 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.646 -7.363 -14.410 1.00 0.00 H new ATOM 1691 N GLU A 108 2.375 -6.280 -11.377 1.00 0.00 N ATOM 1692 CA GLU A 108 2.343 -7.007 -10.113 1.00 0.00 C ATOM 1693 C GLU A 108 1.223 -6.491 -9.216 1.00 0.00 C ATOM 1694 O GLU A 108 0.563 -7.264 -8.523 1.00 0.00 O ATOM 1695 CB GLU A 108 3.687 -6.884 -9.394 1.00 0.00 C ATOM 1696 CG GLU A 108 3.881 -7.906 -8.287 1.00 0.00 C ATOM 1697 CD GLU A 108 4.134 -9.303 -8.822 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.174 -9.506 -9.484 1.00 0.00 O ATOM 1699 OE2 GLU A 108 3.293 -10.193 -8.580 1.00 0.00 O ATOM 0 H GLU A 108 3.144 -5.615 -11.462 1.00 0.00 H new ATOM 0 HA GLU A 108 2.152 -8.058 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.490 -6.993 -10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.773 -5.883 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.720 -7.603 -7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.996 -7.919 -7.650 1.00 0.00 H new ATOM 1706 N VAL A 109 1.015 -5.177 -9.234 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.026 -4.558 -8.422 1.00 0.00 C ATOM 1708 C VAL A 109 -1.401 -5.121 -8.770 1.00 0.00 C ATOM 1709 O VAL A 109 -2.209 -5.395 -7.884 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.046 -3.029 -8.605 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.056 -2.393 -7.660 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.342 -2.446 -8.383 1.00 0.00 C ATOM 0 H VAL A 109 1.553 -4.522 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 109 0.204 -4.788 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.348 -2.807 -9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.057 -1.312 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.050 -2.788 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.785 -2.623 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.308 -1.365 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.676 -2.676 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.038 -2.879 -9.102 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.659 -5.289 -10.062 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.939 -5.818 -10.521 1.00 0.00 C ATOM 1724 C ARG A 110 -3.213 -7.188 -9.911 1.00 0.00 C ATOM 1725 O ARG A 110 -4.364 -7.552 -9.671 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.960 -5.910 -12.048 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.328 -6.252 -12.617 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.265 -7.456 -13.545 1.00 0.00 C ATOM 1729 NE ARG A 110 -5.426 -7.530 -14.427 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.490 -8.307 -15.506 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.462 -9.079 -15.838 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -6.584 -8.314 -16.255 1.00 0.00 N ATOM 0 H ARG A 110 -1.001 -5.067 -10.809 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.723 -5.134 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.629 -4.959 -12.466 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.243 -6.666 -12.368 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.021 -6.457 -11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.721 -5.393 -13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.357 -7.403 -14.145 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.202 -8.368 -12.951 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.236 -6.952 -14.203 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.618 -9.079 -15.265 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.516 -9.672 -16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.377 -7.724 -16.005 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.632 -8.910 -17.082 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.149 -7.941 -9.658 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.280 -9.268 -9.071 1.00 0.00 C ATOM 1748 C HIS A 111 -2.726 -9.170 -7.617 1.00 0.00 C ATOM 1749 O HIS A 111 -3.744 -9.742 -7.231 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.953 -10.028 -9.167 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.017 -11.235 -10.051 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.955 -11.163 -11.427 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.139 -12.550 -9.749 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.036 -12.382 -11.932 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.147 -13.240 -10.936 1.00 0.00 N ATOM 0 H HIS A 111 -1.189 -7.656 -9.850 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.039 -9.816 -9.630 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.184 -9.353 -9.542 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.647 -10.336 -8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.216 -12.976 -8.760 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.015 -12.633 -12.982 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.226 -14.252 -11.032 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.962 -8.435 -6.816 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.288 -8.260 -5.409 1.00 0.00 C ATOM 1766 C ILE A 112 -3.617 -7.525 -5.247 1.00 0.00 C ATOM 1767 O ILE A 112 -4.292 -7.661 -4.227 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.182 -7.489 -4.660 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.047 -6.068 -5.212 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.141 -8.233 -4.765 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.064 -5.269 -4.565 1.00 0.00 C ATOM 0 H ILE A 112 -1.115 -7.953 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.370 -9.256 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.459 -7.420 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.868 -6.120 -6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.991 -5.542 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.914 -7.678 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.037 -9.225 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.422 -8.330 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.100 -4.273 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.124 -5.185 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.017 -5.773 -4.728 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.990 -6.751 -6.264 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.238 -6.002 -6.236 1.00 0.00 C ATOM 1785 C LEU A 113 -6.432 -6.936 -6.407 1.00 0.00 C ATOM 1786 O LEU A 113 -7.470 -6.758 -5.770 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.242 -4.939 -7.339 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.148 -3.496 -6.845 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -3.896 -3.299 -6.006 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.164 -2.530 -8.021 1.00 0.00 C ATOM 0 H LEU A 113 -3.444 -6.628 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.320 -5.509 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.407 -5.132 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.155 -5.048 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.015 -3.288 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.847 -2.265 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.927 -3.966 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.016 -3.524 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.096 -1.507 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.316 -2.737 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.091 -2.653 -8.581 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.275 -7.931 -7.275 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.341 -8.894 -7.532 1.00 0.00 C ATOM 1804 C GLU A 114 -7.521 -9.840 -6.349 1.00 0.00 C ATOM 1805 O GLU A 114 -8.634 -10.284 -6.060 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.037 -9.694 -8.802 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.779 -9.190 -10.030 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.594 -10.095 -11.232 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.615 -9.896 -11.981 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.430 -11.003 -11.426 1.00 0.00 O ATOM 0 H GLU A 114 -5.422 -8.091 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.270 -8.341 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.965 -9.659 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.297 -10.739 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.841 -9.109 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.428 -8.188 -10.276 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.423 -10.146 -5.667 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.465 -11.042 -4.515 1.00 0.00 C ATOM 1819 C VAL A 115 -6.959 -10.310 -3.271 1.00 0.00 C ATOM 1820 O VAL A 115 -7.685 -10.875 -2.454 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.083 -11.655 -4.217 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.208 -12.781 -3.203 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.422 -12.154 -5.495 1.00 0.00 C ATOM 0 H VAL A 115 -5.494 -9.788 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.159 -11.844 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.450 -10.876 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.223 -13.203 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.630 -12.391 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.861 -13.558 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.448 -12.582 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.051 -12.916 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.294 -11.322 -6.187 1.00 0.00 H new ATOM 1833 N SER A 116 -6.560 -9.048 -3.134 1.00 0.00 N ATOM 1834 CA SER A 116 -6.960 -8.238 -1.990 1.00 0.00 C ATOM 1835 C SER A 116 -8.479 -8.133 -1.899 1.00 0.00 C ATOM 1836 O SER A 116 -9.087 -8.597 -0.935 1.00 0.00 O ATOM 1837 CB SER A 116 -6.345 -6.841 -2.088 1.00 0.00 C ATOM 1838 OG SER A 116 -6.431 -6.157 -0.850 1.00 0.00 O ATOM 0 H SER A 116 -5.960 -8.565 -3.802 1.00 0.00 H new ATOM 0 HA SER A 116 -6.594 -8.726 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.301 -6.920 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.858 -6.268 -2.860 1.00 0.00 H new ATOM 0 HG SER A 116 -7.350 -6.205 -0.513 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.088 -7.520 -2.911 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.530 -7.368 -2.924 1.00 0.00 C ATOM 1846 C GLY A 117 -10.977 -6.129 -3.675 1.00 0.00 C ATOM 1847 O GLY A 117 -11.701 -5.294 -3.134 1.00 0.00 O ATOM 0 H GLY A 117 -8.608 -7.127 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.981 -8.249 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.896 -7.319 -1.898 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.545 -6.010 -4.926 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.906 -4.865 -5.754 1.00 0.00 C ATOM 1853 C LEU A 118 -11.363 -5.318 -7.136 1.00 0.00 C ATOM 1854 O LEU A 118 -12.458 -4.976 -7.581 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.719 -3.907 -5.883 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.982 -3.603 -4.577 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.904 -2.551 -4.804 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.962 -3.149 -3.503 1.00 0.00 C ATOM 0 H LEU A 118 -9.944 -6.692 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.732 -4.344 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.008 -4.329 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.075 -2.968 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.499 -4.517 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.390 -2.348 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.186 -2.918 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.363 -1.634 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.420 -2.937 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.476 -2.247 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.693 -3.937 -3.321 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.517 -6.088 -7.811 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.834 -6.588 -9.144 1.00 0.00 C ATOM 1872 C LEU A 119 -11.427 -7.991 -9.070 1.00 0.00 C ATOM 1873 O LEU A 119 -12.252 -8.372 -9.900 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.579 -6.593 -10.021 1.00 0.00 C ATOM 1875 CG LEU A 119 -9.436 -5.388 -10.951 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.967 -5.071 -11.190 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -10.149 -5.645 -12.270 1.00 0.00 C ATOM 0 H LEU A 119 -9.606 -6.380 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.575 -5.924 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.703 -6.640 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.579 -7.501 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.900 -4.526 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.884 -4.211 -11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.485 -4.844 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.479 -5.931 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.037 -4.777 -12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.714 -6.519 -12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.208 -5.823 -12.083 1.00 0.00 H new ATOM 1889 N GLY A 120 -10.999 -8.756 -8.071 1.00 0.00 N ATOM 1890 CA GLY A 120 -11.497 -10.109 -7.905 1.00 0.00 C ATOM 1891 C GLY A 120 -12.023 -10.367 -6.507 1.00 0.00 C ATOM 1892 O GLY A 120 -12.761 -11.359 -6.323 1.00 0.00 O ATOM 1893 OXT GLY A 120 -11.699 -9.578 -5.595 1.00 0.00 O ATOM 0 H GLY A 120 -10.316 -8.463 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.292 -10.291 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.698 -10.816 -8.125 1.00 0.00 H new