USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 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 55 THR OG1 : rot -55:sc= 1.01 USER MOD Set 1.2: A 57 MET CE :methyl 155:sc= -1.54 (180deg=-2.62) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.86 K(o=0.86,f=-0.017) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 68:sc= 1.15 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.884 K(o=0.88,f=-3.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 26:sc= 0.198 USER MOD Single : A 32 THR OG1 : rot -170:sc= 1.06 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.71) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 52 SER OG : rot -64:sc= 0.112 USER MOD Single : A 53 HIS : no HE2:sc= 0.542 K(o=0.54,f=-4.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 61 TYR OH : rot 130:sc= 0.396 USER MOD Single : A 65 THR OG1 : rot -120:sc= 0.0961 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -0.0046 K(o=-0.0046,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.915 -19.272 -2.470 1.00 0.00 N ATOM 2 CA GLY A 1 -13.766 -18.942 -3.615 1.00 0.00 C ATOM 3 C GLY A 1 -12.971 -18.784 -4.903 1.00 0.00 C ATOM 4 O GLY A 1 -13.462 -19.209 -5.948 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.503 -19.369 -1.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.419 -20.168 -2.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.218 -18.514 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.513 -19.725 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.306 -18.018 -3.409 1.00 0.00 H new ATOM 8 N ALA A 2 -11.781 -18.169 -4.886 1.00 0.00 N ATOM 9 CA ALA A 2 -10.979 -17.891 -6.070 1.00 0.00 C ATOM 10 C ALA A 2 -9.522 -18.210 -5.758 1.00 0.00 C ATOM 11 O ALA A 2 -9.008 -17.782 -4.724 1.00 0.00 O ATOM 12 CB ALA A 2 -11.141 -16.416 -6.454 1.00 0.00 C ATOM 0 H ALA A 2 -11.344 -17.845 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.307 -18.506 -6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.543 -16.203 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.190 -16.208 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.806 -15.786 -5.630 1.00 0.00 H new ATOM 18 N ALA A 3 -8.843 -18.920 -6.659 1.00 0.00 N ATOM 19 CA ALA A 3 -7.489 -19.419 -6.438 1.00 0.00 C ATOM 20 C ALA A 3 -6.375 -18.418 -6.763 1.00 0.00 C ATOM 21 O ALA A 3 -5.205 -18.768 -6.614 1.00 0.00 O ATOM 22 CB ALA A 3 -7.289 -20.701 -7.251 1.00 0.00 C ATOM 0 H ALA A 3 -9.223 -19.167 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.405 -19.608 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.279 -21.080 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.013 -21.451 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.432 -20.486 -8.310 1.00 0.00 H new ATOM 28 N GLY A 4 -6.715 -17.216 -7.220 1.00 0.00 N ATOM 29 CA GLY A 4 -5.765 -16.164 -7.574 1.00 0.00 C ATOM 30 C GLY A 4 -5.715 -15.121 -6.472 1.00 0.00 C ATOM 31 O GLY A 4 -5.833 -15.463 -5.292 1.00 0.00 O ATOM 0 H GLY A 4 -7.687 -16.938 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.774 -16.593 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.059 -15.698 -8.515 1.00 0.00 H new ATOM 35 N ILE A 5 -5.584 -13.844 -6.827 1.00 0.00 N ATOM 36 CA ILE A 5 -5.378 -12.791 -5.834 1.00 0.00 C ATOM 37 C ILE A 5 -6.676 -12.118 -5.378 1.00 0.00 C ATOM 38 O ILE A 5 -6.651 -11.383 -4.396 1.00 0.00 O ATOM 39 CB ILE A 5 -4.342 -11.758 -6.348 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.878 -10.858 -7.484 1.00 0.00 C ATOM 41 CG2 ILE A 5 -3.046 -12.460 -6.787 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.889 -9.777 -7.948 1.00 0.00 C ATOM 0 H ILE A 5 -5.617 -13.514 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.977 -13.273 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.132 -11.098 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.141 -11.485 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.796 -10.375 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.333 -11.717 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.618 -12.996 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.268 -13.165 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.341 -9.189 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.644 -9.124 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.979 -10.250 -8.317 1.00 0.00 H new ATOM 54 N ASP A 6 -7.801 -12.349 -6.063 1.00 0.00 N ATOM 55 CA ASP A 6 -9.065 -11.644 -5.807 1.00 0.00 C ATOM 56 C ASP A 6 -9.561 -11.817 -4.376 1.00 0.00 C ATOM 57 O ASP A 6 -10.124 -10.887 -3.810 1.00 0.00 O ATOM 58 CB ASP A 6 -10.133 -12.138 -6.782 1.00 0.00 C ATOM 59 CG ASP A 6 -11.398 -11.270 -6.800 1.00 0.00 C ATOM 60 OD1 ASP A 6 -11.291 -10.023 -6.782 1.00 0.00 O ATOM 61 OD2 ASP A 6 -12.501 -11.819 -7.022 1.00 0.00 O ATOM 0 H ASP A 6 -7.862 -13.035 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.874 -10.581 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.710 -12.169 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.407 -13.160 -6.520 1.00 0.00 H new ATOM 66 N GLN A 7 -9.287 -12.973 -3.769 1.00 0.00 N ATOM 67 CA GLN A 7 -9.631 -13.262 -2.386 1.00 0.00 C ATOM 68 C GLN A 7 -9.006 -12.274 -1.398 1.00 0.00 C ATOM 69 O GLN A 7 -9.563 -12.069 -0.321 1.00 0.00 O ATOM 70 CB GLN A 7 -9.228 -14.709 -2.071 1.00 0.00 C ATOM 71 CG GLN A 7 -7.710 -14.963 -2.049 1.00 0.00 C ATOM 72 CD GLN A 7 -7.414 -16.455 -2.142 1.00 0.00 C ATOM 73 OE1 GLN A 7 -8.041 -17.286 -1.492 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.504 -16.853 -3.012 1.00 0.00 N ATOM 0 H GLN A 7 -8.812 -13.744 -4.237 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.708 -13.145 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.643 -14.985 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.682 -15.368 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.236 -14.440 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.281 -14.558 -1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.981 -16.165 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.324 -17.848 -3.142 1.00 0.00 H new ATOM 83 N TYR A 8 -7.865 -11.674 -1.747 1.00 0.00 N ATOM 84 CA TYR A 8 -7.173 -10.708 -0.905 1.00 0.00 C ATOM 85 C TYR A 8 -7.510 -9.271 -1.327 1.00 0.00 C ATOM 86 O TYR A 8 -6.965 -8.348 -0.728 1.00 0.00 O ATOM 87 CB TYR A 8 -5.650 -10.942 -0.978 1.00 0.00 C ATOM 88 CG TYR A 8 -5.170 -12.364 -0.759 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.129 -12.925 0.529 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.735 -13.124 -1.858 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.665 -14.239 0.719 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.285 -14.441 -1.682 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.242 -15.008 -0.387 1.00 0.00 C ATOM 94 OH TYR A 8 -3.818 -16.291 -0.211 1.00 0.00 O ATOM 0 H TYR A 8 -7.394 -11.851 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.507 -10.846 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.301 -10.612 -1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.171 -10.303 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.456 -12.343 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.747 -12.690 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.632 -14.661 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.971 -15.023 -2.536 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.565 -16.674 -1.077 1.00 0.00 H new ATOM 104 N ALA A 9 -8.320 -9.047 -2.374 1.00 0.00 N ATOM 105 CA ALA A 9 -8.628 -7.718 -2.897 1.00 0.00 C ATOM 106 C ALA A 9 -9.705 -7.060 -2.030 1.00 0.00 C ATOM 107 O ALA A 9 -10.907 -7.210 -2.291 1.00 0.00 O ATOM 108 CB ALA A 9 -9.057 -7.813 -4.368 1.00 0.00 C ATOM 0 H ALA A 9 -8.783 -9.799 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.736 -7.092 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.284 -6.816 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.249 -8.249 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.944 -8.442 -4.449 1.00 0.00 H new ATOM 114 N LEU A 10 -9.278 -6.331 -1.001 1.00 0.00 N ATOM 115 CA LEU A 10 -10.163 -5.747 0.001 1.00 0.00 C ATOM 116 C LEU A 10 -10.744 -4.463 -0.576 1.00 0.00 C ATOM 117 O LEU A 10 -9.989 -3.617 -1.057 1.00 0.00 O ATOM 118 CB LEU A 10 -9.396 -5.450 1.302 1.00 0.00 C ATOM 119 CG LEU A 10 -8.850 -6.685 2.047 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.078 -6.223 3.286 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.968 -7.638 2.483 1.00 0.00 C ATOM 0 H LEU A 10 -8.292 -6.127 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.961 -6.448 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.561 -4.790 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.056 -4.903 1.976 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.198 -7.225 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.689 -7.092 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.250 -5.584 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.745 -5.664 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.535 -8.492 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.652 -7.115 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.513 -7.986 1.605 1.00 0.00 H new ATOM 133 N LYS A 11 -12.065 -4.295 -0.537 1.00 0.00 N ATOM 134 CA LYS A 11 -12.736 -3.121 -1.108 1.00 0.00 C ATOM 135 C LYS A 11 -12.745 -1.933 -0.146 1.00 0.00 C ATOM 136 O LYS A 11 -12.975 -0.798 -0.572 1.00 0.00 O ATOM 137 CB LYS A 11 -14.178 -3.485 -1.489 1.00 0.00 C ATOM 138 CG LYS A 11 -14.207 -4.563 -2.577 1.00 0.00 C ATOM 139 CD LYS A 11 -15.599 -4.691 -3.205 1.00 0.00 C ATOM 140 CE LYS A 11 -15.729 -5.987 -4.010 1.00 0.00 C ATOM 141 NZ LYS A 11 -14.721 -6.112 -5.081 1.00 0.00 N ATOM 0 H LYS A 11 -12.703 -4.967 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.175 -2.822 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.712 -3.840 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.700 -2.595 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.479 -4.320 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.910 -5.521 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.357 -4.669 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.787 -3.836 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.638 -6.837 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.725 -6.035 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.904 -6.975 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.776 -5.284 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.772 -6.165 -4.660 1.00 0.00 H new ATOM 155 N GLU A 12 -12.511 -2.197 1.131 1.00 0.00 N ATOM 156 CA GLU A 12 -12.425 -1.253 2.233 1.00 0.00 C ATOM 157 C GLU A 12 -11.627 -1.929 3.347 1.00 0.00 C ATOM 158 O GLU A 12 -11.412 -3.145 3.288 1.00 0.00 O ATOM 159 CB GLU A 12 -13.840 -0.872 2.699 1.00 0.00 C ATOM 160 CG GLU A 12 -14.709 -2.081 3.088 1.00 0.00 C ATOM 161 CD GLU A 12 -16.194 -1.773 2.945 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.785 -1.232 3.909 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.784 -2.049 1.878 1.00 0.00 O ATOM 0 H GLU A 12 -12.365 -3.155 1.448 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.926 -0.331 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.763 -0.201 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.338 -0.318 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.451 -2.933 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.494 -2.368 4.117 1.00 0.00 H new ATOM 170 N PHE A 13 -11.169 -1.170 4.337 1.00 0.00 N ATOM 171 CA PHE A 13 -10.584 -1.681 5.576 1.00 0.00 C ATOM 172 C PHE A 13 -10.645 -0.574 6.628 1.00 0.00 C ATOM 173 O PHE A 13 -11.072 0.544 6.330 1.00 0.00 O ATOM 174 CB PHE A 13 -9.131 -2.171 5.377 1.00 0.00 C ATOM 175 CG PHE A 13 -8.081 -1.105 5.112 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.028 -0.435 3.875 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.123 -0.809 6.099 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.033 0.526 3.627 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.129 0.150 5.850 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.086 0.823 4.620 1.00 0.00 C ATOM 0 H PHE A 13 -11.194 -0.151 4.300 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.156 -2.548 5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.835 -2.727 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.120 -2.874 4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.757 -0.661 3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.153 -1.321 7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.997 1.035 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.393 0.371 6.609 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.326 1.568 4.437 1.00 0.00 H new ATOM 190 N THR A 14 -10.161 -0.863 7.831 1.00 0.00 N ATOM 191 CA THR A 14 -9.866 0.143 8.840 1.00 0.00 C ATOM 192 C THR A 14 -8.452 -0.148 9.340 1.00 0.00 C ATOM 193 O THR A 14 -8.106 -1.308 9.570 1.00 0.00 O ATOM 194 CB THR A 14 -10.895 0.074 9.983 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.222 -0.059 9.494 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.854 1.256 10.957 1.00 0.00 C ATOM 0 H THR A 14 -9.961 -1.816 8.135 1.00 0.00 H new ATOM 0 HA THR A 14 -9.925 1.151 8.431 1.00 0.00 H new ATOM 0 HB THR A 14 -10.601 -0.816 10.539 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.846 -0.101 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.614 1.120 11.727 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.870 1.309 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.049 2.181 10.415 1.00 0.00 H new ATOM 204 N ALA A 15 -7.625 0.882 9.508 1.00 0.00 N ATOM 205 CA ALA A 15 -6.387 0.808 10.268 1.00 0.00 C ATOM 206 C ALA A 15 -6.185 2.164 10.931 1.00 0.00 C ATOM 207 O ALA A 15 -6.712 3.166 10.457 1.00 0.00 O ATOM 208 CB ALA A 15 -5.197 0.471 9.363 1.00 0.00 C ATOM 0 H ALA A 15 -7.803 1.805 9.112 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.451 0.015 11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.287 0.423 9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.367 -0.493 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.090 1.243 8.601 1.00 0.00 H new ATOM 214 N ASP A 16 -5.386 2.233 11.996 1.00 0.00 N ATOM 215 CA ASP A 16 -5.095 3.484 12.705 1.00 0.00 C ATOM 216 C ASP A 16 -6.375 4.211 13.115 1.00 0.00 C ATOM 217 O ASP A 16 -6.493 5.433 13.021 1.00 0.00 O ATOM 218 CB ASP A 16 -4.157 4.343 11.847 1.00 0.00 C ATOM 219 CG ASP A 16 -2.897 4.692 12.619 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.945 5.611 13.463 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.892 3.961 12.421 1.00 0.00 O ATOM 0 H ASP A 16 -4.919 1.419 12.395 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.582 3.263 13.641 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.895 3.806 10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.668 5.256 11.542 1.00 0.00 H new ATOM 226 N PHE A 17 -7.368 3.422 13.522 1.00 0.00 N ATOM 227 CA PHE A 17 -8.710 3.848 13.916 1.00 0.00 C ATOM 228 C PHE A 17 -9.478 4.575 12.806 1.00 0.00 C ATOM 229 O PHE A 17 -10.541 5.133 13.066 1.00 0.00 O ATOM 230 CB PHE A 17 -8.647 4.701 15.203 1.00 0.00 C ATOM 231 CG PHE A 17 -7.723 4.171 16.284 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.202 3.237 17.216 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.382 4.593 16.354 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.341 2.683 18.178 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.519 4.046 17.318 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.996 3.082 18.220 1.00 0.00 C ATOM 0 H PHE A 17 -7.251 2.411 13.589 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.277 2.938 14.115 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.328 5.709 14.937 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.653 4.783 15.615 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.241 2.942 17.193 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.016 5.339 15.665 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.712 1.953 18.882 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.489 4.367 17.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.327 2.647 18.947 1.00 0.00 H new ATOM 246 N THR A 18 -9.000 4.486 11.572 1.00 0.00 N ATOM 247 CA THR A 18 -9.433 5.263 10.422 1.00 0.00 C ATOM 248 C THR A 18 -9.962 4.278 9.387 1.00 0.00 C ATOM 249 O THR A 18 -9.281 3.300 9.069 1.00 0.00 O ATOM 250 CB THR A 18 -8.239 6.060 9.869 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.574 6.786 10.889 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.669 7.063 8.795 1.00 0.00 C ATOM 0 H THR A 18 -8.256 3.830 11.335 1.00 0.00 H new ATOM 0 HA THR A 18 -10.214 5.975 10.688 1.00 0.00 H new ATOM 0 HB THR A 18 -7.567 5.318 9.437 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.126 6.161 11.497 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.795 7.604 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.136 6.531 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.382 7.769 9.221 1.00 0.00 H new ATOM 260 N GLN A 19 -11.183 4.493 8.906 1.00 0.00 N ATOM 261 CA GLN A 19 -11.778 3.654 7.881 1.00 0.00 C ATOM 262 C GLN A 19 -11.377 4.168 6.503 1.00 0.00 C ATOM 263 O GLN A 19 -11.223 5.378 6.318 1.00 0.00 O ATOM 264 CB GLN A 19 -13.295 3.645 8.062 1.00 0.00 C ATOM 265 CG GLN A 19 -13.927 2.595 7.149 1.00 0.00 C ATOM 266 CD GLN A 19 -15.235 2.106 7.730 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.228 2.833 7.750 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.255 0.887 8.236 1.00 0.00 N ATOM 0 H GLN A 19 -11.785 5.255 9.219 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.417 2.629 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.544 3.431 9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.702 4.630 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.098 3.020 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.243 1.756 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.416 0.308 8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.110 0.524 8.658 1.00 0.00 H new ATOM 277 N PHE A 20 -11.267 3.263 5.533 1.00 0.00 N ATOM 278 CA PHE A 20 -10.712 3.543 4.218 1.00 0.00 C ATOM 279 C PHE A 20 -11.423 2.729 3.147 1.00 0.00 C ATOM 280 O PHE A 20 -11.917 1.632 3.412 1.00 0.00 O ATOM 281 CB PHE A 20 -9.236 3.149 4.205 1.00 0.00 C ATOM 282 CG PHE A 20 -8.333 3.922 5.143 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.084 5.291 4.932 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.728 3.259 6.224 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.190 5.984 5.765 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.831 3.951 7.059 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.553 5.311 6.822 1.00 0.00 C ATOM 0 H PHE A 20 -11.569 2.295 5.645 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.838 4.606 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.161 2.090 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.858 3.267 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.582 5.811 4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.951 2.219 6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.992 7.032 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.355 3.439 7.882 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.851 5.837 7.452 1.00 0.00 H new ATOM 297 N HIS A 21 -11.376 3.228 1.912 1.00 0.00 N ATOM 298 CA HIS A 21 -12.033 2.657 0.747 1.00 0.00 C ATOM 299 C HIS A 21 -11.099 2.759 -0.454 1.00 0.00 C ATOM 300 O HIS A 21 -10.159 3.561 -0.450 1.00 0.00 O ATOM 301 CB HIS A 21 -13.326 3.440 0.472 1.00 0.00 C ATOM 302 CG HIS A 21 -14.211 3.557 1.686 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.153 4.548 2.645 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.137 2.636 2.086 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.035 4.227 3.606 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.656 3.071 3.306 1.00 0.00 N ATOM 0 H HIS A 21 -10.856 4.077 1.692 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.274 1.609 0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.071 4.439 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.879 2.948 -0.328 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.552 5.372 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.416 1.737 1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.220 4.814 4.494 1.00 0.00 H new ATOM 314 N ILE A 22 -11.386 2.007 -1.518 1.00 0.00 N ATOM 315 CA ILE A 22 -10.785 2.265 -2.821 1.00 0.00 C ATOM 316 C ILE A 22 -11.212 3.675 -3.223 1.00 0.00 C ATOM 317 O ILE A 22 -12.401 3.937 -3.400 1.00 0.00 O ATOM 318 CB ILE A 22 -11.221 1.214 -3.870 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.981 -0.241 -3.422 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.537 1.458 -5.226 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.573 -0.557 -2.911 1.00 0.00 C ATOM 0 H ILE A 22 -12.030 1.216 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.699 2.190 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.298 1.344 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.695 -0.481 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.199 -0.901 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.865 0.703 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.805 2.448 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.456 1.397 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.517 -1.607 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.847 -0.357 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.351 0.068 -2.046 1.00 0.00 H new ATOM 333 N GLY A 23 -10.248 4.581 -3.344 1.00 0.00 N ATOM 334 CA GLY A 23 -10.460 5.953 -3.776 1.00 0.00 C ATOM 335 C GLY A 23 -10.503 6.983 -2.645 1.00 0.00 C ATOM 336 O GLY A 23 -10.675 8.162 -2.952 1.00 0.00 O ATOM 0 H GLY A 23 -9.271 4.373 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.665 6.228 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.397 6.004 -4.330 1.00 0.00 H new ATOM 340 N ASP A 24 -10.351 6.574 -1.380 1.00 0.00 N ATOM 341 CA ASP A 24 -10.120 7.491 -0.249 1.00 0.00 C ATOM 342 C ASP A 24 -8.685 8.025 -0.297 1.00 0.00 C ATOM 343 O ASP A 24 -7.928 7.647 -1.189 1.00 0.00 O ATOM 344 CB ASP A 24 -10.361 6.763 1.089 1.00 0.00 C ATOM 345 CG ASP A 24 -11.673 7.105 1.788 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.328 8.113 1.451 1.00 0.00 O ATOM 347 OD2 ASP A 24 -11.997 6.372 2.750 1.00 0.00 O ATOM 0 H ASP A 24 -10.384 5.592 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.818 8.325 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.333 5.688 0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.537 6.995 1.764 1.00 0.00 H new ATOM 352 N THR A 25 -8.264 8.850 0.667 1.00 0.00 N ATOM 353 CA THR A 25 -6.932 9.423 0.779 1.00 0.00 C ATOM 354 C THR A 25 -6.305 9.066 2.142 1.00 0.00 C ATOM 355 O THR A 25 -7.024 8.881 3.129 1.00 0.00 O ATOM 356 CB THR A 25 -7.038 10.947 0.597 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.318 11.466 0.901 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.639 11.435 -0.798 1.00 0.00 C ATOM 0 H THR A 25 -8.879 9.147 1.425 1.00 0.00 H new ATOM 0 HA THR A 25 -6.283 9.013 0.006 1.00 0.00 H new ATOM 0 HB THR A 25 -6.318 11.329 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.318 12.437 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.740 12.519 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.604 11.158 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.288 10.976 -1.544 1.00 0.00 H new ATOM 366 N VAL A 26 -4.972 8.992 2.227 1.00 0.00 N ATOM 367 CA VAL A 26 -4.255 8.524 3.422 1.00 0.00 C ATOM 368 C VAL A 26 -3.664 9.683 4.235 1.00 0.00 C ATOM 369 O VAL A 26 -3.405 10.752 3.676 1.00 0.00 O ATOM 370 CB VAL A 26 -3.140 7.528 3.031 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.734 6.389 2.209 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.936 8.119 2.284 1.00 0.00 C ATOM 0 H VAL A 26 -4.353 9.258 1.461 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.985 8.018 4.054 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.738 7.180 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.945 5.688 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.491 5.871 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.191 6.792 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.220 7.327 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.273 8.574 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.458 8.876 2.905 1.00 0.00 H new ATOM 382 N PRO A 27 -3.371 9.478 5.530 1.00 0.00 N ATOM 383 CA PRO A 27 -2.533 10.387 6.304 1.00 0.00 C ATOM 384 C PRO A 27 -1.069 10.353 5.834 1.00 0.00 C ATOM 385 O PRO A 27 -0.580 9.348 5.313 1.00 0.00 O ATOM 386 CB PRO A 27 -2.634 9.881 7.744 1.00 0.00 C ATOM 387 CG PRO A 27 -2.878 8.390 7.571 1.00 0.00 C ATOM 388 CD PRO A 27 -3.790 8.351 6.353 1.00 0.00 C ATOM 0 HA PRO A 27 -2.863 11.420 6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.720 10.077 8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.449 10.363 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.950 7.843 7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.352 7.951 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.688 7.409 5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.837 8.441 6.641 1.00 0.00 H new ATOM 396 N ALA A 28 -0.332 11.426 6.133 1.00 0.00 N ATOM 397 CA ALA A 28 1.065 11.602 5.750 1.00 0.00 C ATOM 398 C ALA A 28 2.016 10.623 6.444 1.00 0.00 C ATOM 399 O ALA A 28 3.147 10.455 5.988 1.00 0.00 O ATOM 400 CB ALA A 28 1.485 13.038 6.069 1.00 0.00 C ATOM 0 H ALA A 28 -0.703 12.215 6.662 1.00 0.00 H new ATOM 0 HA ALA A 28 1.136 11.396 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.528 13.183 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.858 13.733 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.369 13.222 7.137 1.00 0.00 H new ATOM 406 N MET A 29 1.568 9.940 7.502 1.00 0.00 N ATOM 407 CA MET A 29 2.314 8.866 8.154 1.00 0.00 C ATOM 408 C MET A 29 2.703 7.756 7.202 1.00 0.00 C ATOM 409 O MET A 29 3.653 7.041 7.493 1.00 0.00 O ATOM 410 CB MET A 29 1.533 8.247 9.328 1.00 0.00 C ATOM 411 CG MET A 29 0.083 7.902 9.067 1.00 0.00 C ATOM 412 SD MET A 29 -0.848 7.338 10.523 1.00 0.00 S ATOM 413 CE MET A 29 -1.163 8.889 11.411 1.00 0.00 C ATOM 0 H MET A 29 0.662 10.123 7.934 1.00 0.00 H new ATOM 0 HA MET A 29 3.220 9.343 8.527 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.049 7.339 9.640 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.573 8.941 10.168 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.415 8.779 8.654 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.042 7.124 8.305 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.726 8.680 12.321 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.214 9.359 11.671 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.739 9.562 10.775 1.00 0.00 H new ATOM 423 N TYR A 30 1.991 7.613 6.087 1.00 0.00 N ATOM 424 CA TYR A 30 2.227 6.523 5.151 1.00 0.00 C ATOM 425 C TYR A 30 2.802 6.997 3.824 1.00 0.00 C ATOM 426 O TYR A 30 3.235 6.176 3.027 1.00 0.00 O ATOM 427 CB TYR A 30 0.916 5.773 4.955 1.00 0.00 C ATOM 428 CG TYR A 30 0.197 5.400 6.243 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.908 4.949 7.375 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.191 5.598 6.342 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.228 4.634 8.560 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.886 5.230 7.501 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.179 4.701 8.596 1.00 0.00 C ATOM 434 OH TYR A 30 -1.872 4.316 9.690 1.00 0.00 O ATOM 0 H TYR A 30 1.240 8.246 5.810 1.00 0.00 H new ATOM 0 HA TYR A 30 2.982 5.858 5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.250 6.386 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.115 4.863 4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.982 4.846 7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.728 6.039 5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.780 4.341 9.441 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.958 5.352 7.554 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.306 4.409 10.485 1.00 0.00 H new ATOM 444 N LEU A 31 2.817 8.311 3.584 1.00 0.00 N ATOM 445 CA LEU A 31 3.357 8.910 2.367 1.00 0.00 C ATOM 446 C LEU A 31 4.888 8.951 2.399 1.00 0.00 C ATOM 447 O LEU A 31 5.528 9.068 1.355 1.00 0.00 O ATOM 448 CB LEU A 31 2.724 10.307 2.190 1.00 0.00 C ATOM 449 CG LEU A 31 1.321 10.158 1.561 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.273 11.197 1.962 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.461 10.154 0.034 1.00 0.00 C ATOM 0 H LEU A 31 2.448 8.997 4.242 1.00 0.00 H new ATOM 0 HA LEU A 31 3.100 8.300 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.651 10.810 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.356 10.927 1.554 1.00 0.00 H new ATOM 0 HG LEU A 31 0.939 9.218 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.666 10.981 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.118 11.160 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.619 12.191 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.476 10.049 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.914 11.090 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.093 9.320 -0.271 1.00 0.00 H new ATOM 463 N THR A 32 5.485 8.858 3.584 1.00 0.00 N ATOM 464 CA THR A 32 6.922 8.750 3.795 1.00 0.00 C ATOM 465 C THR A 32 7.461 7.430 3.188 1.00 0.00 C ATOM 466 O THR A 32 6.761 6.412 3.190 1.00 0.00 O ATOM 467 CB THR A 32 7.154 8.860 5.319 1.00 0.00 C ATOM 468 OG1 THR A 32 8.521 8.891 5.678 1.00 0.00 O ATOM 469 CG2 THR A 32 6.444 7.752 6.090 1.00 0.00 C ATOM 0 H THR A 32 4.958 8.856 4.457 1.00 0.00 H new ATOM 0 HA THR A 32 7.471 9.544 3.290 1.00 0.00 H new ATOM 0 HB THR A 32 6.719 9.820 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.606 8.801 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.636 7.870 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.371 7.810 5.906 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.817 6.782 5.760 1.00 0.00 H new ATOM 477 N PRO A 33 8.741 7.369 2.771 1.00 0.00 N ATOM 478 CA PRO A 33 9.377 6.131 2.321 1.00 0.00 C ATOM 479 C PRO A 33 9.528 5.065 3.416 1.00 0.00 C ATOM 480 O PRO A 33 9.895 3.930 3.114 1.00 0.00 O ATOM 481 CB PRO A 33 10.737 6.538 1.757 1.00 0.00 C ATOM 482 CG PRO A 33 11.046 7.871 2.424 1.00 0.00 C ATOM 483 CD PRO A 33 9.670 8.482 2.656 1.00 0.00 C ATOM 0 HA PRO A 33 8.743 5.652 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.500 5.794 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.703 6.636 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.587 7.735 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.664 8.504 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.662 9.089 3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.391 9.137 1.830 1.00 0.00 H new ATOM 491 N GLU A 34 9.231 5.394 4.674 1.00 0.00 N ATOM 492 CA GLU A 34 9.383 4.494 5.814 1.00 0.00 C ATOM 493 C GLU A 34 8.533 3.220 5.699 1.00 0.00 C ATOM 494 O GLU A 34 8.846 2.226 6.353 1.00 0.00 O ATOM 495 CB GLU A 34 9.050 5.250 7.112 1.00 0.00 C ATOM 496 CG GLU A 34 10.036 6.389 7.425 1.00 0.00 C ATOM 497 CD GLU A 34 9.541 7.266 8.579 1.00 0.00 C ATOM 498 OE1 GLU A 34 9.729 6.905 9.763 1.00 0.00 O ATOM 499 OE2 GLU A 34 8.948 8.348 8.302 1.00 0.00 O ATOM 0 H GLU A 34 8.871 6.313 4.932 1.00 0.00 H new ATOM 0 HA GLU A 34 10.422 4.163 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.043 5.661 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.045 4.545 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.009 5.968 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.177 7.003 6.536 1.00 0.00 H new ATOM 506 N TYR A 35 7.500 3.210 4.851 1.00 0.00 N ATOM 507 CA TYR A 35 6.578 2.083 4.689 1.00 0.00 C ATOM 508 C TYR A 35 6.528 1.569 3.246 1.00 0.00 C ATOM 509 O TYR A 35 5.862 0.574 2.963 1.00 0.00 O ATOM 510 CB TYR A 35 5.183 2.502 5.160 1.00 0.00 C ATOM 511 CG TYR A 35 5.108 2.941 6.613 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.471 4.252 6.971 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.658 2.052 7.605 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.419 4.675 8.308 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.568 2.478 8.942 1.00 0.00 C ATOM 516 CZ TYR A 35 4.950 3.791 9.301 1.00 0.00 C ATOM 517 OH TYR A 35 4.894 4.178 10.607 1.00 0.00 O ATOM 0 H TYR A 35 7.277 4.001 4.246 1.00 0.00 H new ATOM 0 HA TYR A 35 6.945 1.258 5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.832 3.319 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.498 1.667 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.794 4.943 6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.382 1.042 7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.737 5.672 8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.205 1.798 9.699 1.00 0.00 H new ATOM 0 HH TYR A 35 4.545 3.442 11.152 1.00 0.00 H new ATOM 527 N ASN A 36 7.206 2.238 2.314 1.00 0.00 N ATOM 528 CA ASN A 36 7.123 2.015 0.884 1.00 0.00 C ATOM 529 C ASN A 36 7.654 0.636 0.482 1.00 0.00 C ATOM 530 O ASN A 36 8.852 0.370 0.523 1.00 0.00 O ATOM 531 CB ASN A 36 7.749 3.217 0.154 1.00 0.00 C ATOM 532 CG ASN A 36 9.205 3.152 -0.307 1.00 0.00 C ATOM 533 OD1 ASN A 36 10.111 2.753 0.408 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.500 3.606 -1.513 1.00 0.00 N ATOM 0 H ASN A 36 7.858 2.985 2.555 1.00 0.00 H new ATOM 0 HA ASN A 36 6.082 1.971 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.138 3.417 -0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.654 4.082 0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.469 3.618 -1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.758 3.944 -2.126 1.00 0.00 H new ATOM 541 N ILE A 37 6.761 -0.286 0.119 1.00 0.00 N ATOM 542 CA ILE A 37 7.111 -1.660 -0.225 1.00 0.00 C ATOM 543 C ILE A 37 7.650 -1.665 -1.651 1.00 0.00 C ATOM 544 O ILE A 37 6.935 -1.945 -2.617 1.00 0.00 O ATOM 545 CB ILE A 37 5.939 -2.648 -0.020 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.153 -2.401 1.285 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.506 -4.083 -0.068 1.00 0.00 C ATOM 548 CD1 ILE A 37 5.943 -2.731 2.550 1.00 0.00 C ATOM 0 H ILE A 37 5.761 -0.094 0.056 1.00 0.00 H new ATOM 0 HA ILE A 37 7.883 -2.019 0.455 1.00 0.00 H new ATOM 0 HB ILE A 37 5.216 -2.495 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.846 -1.356 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.243 -3.000 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.697 -4.799 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.977 -4.256 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.245 -4.209 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.326 -2.532 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.227 -3.783 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.840 -2.113 2.590 1.00 0.00 H new ATOM 560 N LYS A 38 8.908 -1.266 -1.822 1.00 0.00 N ATOM 561 CA LYS A 38 9.530 -1.171 -3.126 1.00 0.00 C ATOM 562 C LYS A 38 9.604 -2.521 -3.844 1.00 0.00 C ATOM 563 O LYS A 38 9.585 -2.542 -5.071 1.00 0.00 O ATOM 564 CB LYS A 38 10.917 -0.545 -2.919 1.00 0.00 C ATOM 565 CG LYS A 38 11.332 0.308 -4.111 1.00 0.00 C ATOM 566 CD LYS A 38 10.558 1.636 -4.188 1.00 0.00 C ATOM 567 CE LYS A 38 10.646 2.222 -5.597 1.00 0.00 C ATOM 568 NZ LYS A 38 9.569 3.197 -5.857 1.00 0.00 N ATOM 0 H LYS A 38 9.522 -1.000 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 38 8.925 -0.545 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.909 0.068 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.653 -1.334 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.400 0.517 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.171 -0.256 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.514 1.472 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.965 2.344 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.614 2.706 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.591 1.416 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.665 3.571 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.646 2.729 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.637 3.979 -5.175 1.00 0.00 H new ATOM 582 N GLN A 39 9.681 -3.630 -3.112 1.00 0.00 N ATOM 583 CA GLN A 39 9.872 -4.974 -3.652 1.00 0.00 C ATOM 584 C GLN A 39 8.504 -5.646 -3.867 1.00 0.00 C ATOM 585 O GLN A 39 8.168 -6.599 -3.163 1.00 0.00 O ATOM 586 CB GLN A 39 10.756 -5.754 -2.659 1.00 0.00 C ATOM 587 CG GLN A 39 12.187 -5.196 -2.529 1.00 0.00 C ATOM 588 CD GLN A 39 12.695 -5.178 -1.087 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.184 -4.159 -0.605 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.602 -6.284 -0.375 1.00 0.00 N ATOM 0 H GLN A 39 9.610 -3.618 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 39 10.367 -4.949 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.281 -5.743 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.810 -6.796 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.862 -5.797 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.213 -4.183 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.194 -7.123 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.938 -6.300 0.588 1.00 0.00 H new ATOM 599 N TRP A 40 7.679 -5.126 -4.780 1.00 0.00 N ATOM 600 CA TRP A 40 6.296 -5.575 -4.950 1.00 0.00 C ATOM 601 C TRP A 40 6.165 -6.832 -5.819 1.00 0.00 C ATOM 602 O TRP A 40 5.410 -7.738 -5.468 1.00 0.00 O ATOM 603 CB TRP A 40 5.427 -4.438 -5.505 1.00 0.00 C ATOM 604 CG TRP A 40 6.024 -3.511 -6.522 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.630 -2.333 -6.257 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.065 -3.663 -7.972 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.044 -1.749 -7.438 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.713 -2.523 -8.530 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.613 -4.644 -8.875 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.878 -2.362 -9.914 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.819 -4.517 -10.261 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.436 -3.372 -10.784 1.00 0.00 C ATOM 0 H TRP A 40 7.952 -4.382 -5.422 1.00 0.00 H new ATOM 0 HA TRP A 40 5.938 -5.853 -3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.537 -4.887 -5.947 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.093 -3.834 -4.661 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.769 -1.912 -5.272 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.534 -0.856 -7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.097 -5.513 -8.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.341 -1.469 -10.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.500 -5.306 -10.926 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.571 -3.267 -11.850 1.00 0.00 H new ATOM 623 N GLN A 41 6.873 -6.907 -6.953 1.00 0.00 N ATOM 624 CA GLN A 41 6.684 -7.969 -7.955 1.00 0.00 C ATOM 625 C GLN A 41 6.944 -9.357 -7.344 1.00 0.00 C ATOM 626 O GLN A 41 6.294 -10.335 -7.706 1.00 0.00 O ATOM 627 CB GLN A 41 7.589 -7.682 -9.175 1.00 0.00 C ATOM 628 CG GLN A 41 7.028 -8.056 -10.564 1.00 0.00 C ATOM 629 CD GLN A 41 7.457 -9.413 -11.127 1.00 0.00 C ATOM 630 OE1 GLN A 41 6.653 -10.317 -11.333 1.00 0.00 O ATOM 631 NE2 GLN A 41 8.712 -9.571 -11.518 1.00 0.00 N ATOM 0 H GLN A 41 7.595 -6.232 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 41 5.648 -7.975 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.825 -6.618 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.529 -8.216 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.940 -8.037 -10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.325 -7.283 -11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.394 -8.830 -11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.997 -10.433 -11.982 1.00 0.00 H new ATOM 640 N GLN A 42 7.842 -9.433 -6.355 1.00 0.00 N ATOM 641 CA GLN A 42 8.208 -10.652 -5.636 1.00 0.00 C ATOM 642 C GLN A 42 7.179 -11.058 -4.558 1.00 0.00 C ATOM 643 O GLN A 42 7.526 -11.830 -3.662 1.00 0.00 O ATOM 644 CB GLN A 42 9.637 -10.488 -5.063 1.00 0.00 C ATOM 645 CG GLN A 42 10.666 -10.366 -6.195 1.00 0.00 C ATOM 646 CD GLN A 42 12.118 -10.417 -5.740 1.00 0.00 C ATOM 647 OE1 GLN A 42 12.644 -11.462 -5.387 1.00 0.00 O ATOM 648 NE2 GLN A 42 12.837 -9.305 -5.715 1.00 0.00 N ATOM 0 H GLN A 42 8.351 -8.614 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 42 8.200 -11.482 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.680 -9.602 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.882 -11.343 -4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.495 -11.169 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.497 -9.427 -6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.419 -8.421 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.809 -9.333 -5.406 1.00 0.00 H new ATOM 657 N ARG A 43 5.939 -10.544 -4.578 1.00 0.00 N ATOM 658 CA ARG A 43 4.933 -10.773 -3.527 1.00 0.00 C ATOM 659 C ARG A 43 3.577 -11.236 -4.076 1.00 0.00 C ATOM 660 O ARG A 43 2.561 -11.011 -3.428 1.00 0.00 O ATOM 661 CB ARG A 43 4.773 -9.495 -2.684 1.00 0.00 C ATOM 662 CG ARG A 43 6.077 -8.986 -2.066 1.00 0.00 C ATOM 663 CD ARG A 43 5.803 -7.757 -1.186 1.00 0.00 C ATOM 664 NE ARG A 43 6.509 -7.815 0.100 1.00 0.00 N ATOM 665 CZ ARG A 43 7.828 -7.870 0.311 1.00 0.00 C ATOM 666 NH1 ARG A 43 8.687 -7.857 -0.704 1.00 0.00 N ATOM 667 NH2 ARG A 43 8.271 -7.927 1.557 1.00 0.00 N ATOM 0 H ARG A 43 5.602 -9.949 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 43 5.296 -11.589 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.350 -8.710 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.056 -9.687 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.537 -9.774 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.785 -8.728 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.104 -6.857 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.731 -7.676 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 43 5.922 -7.813 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.343 -7.804 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.690 -7.900 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.610 -7.928 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.273 -7.970 1.740 1.00 0.00 H new ATOM 681 N ASN A 44 3.530 -11.822 -5.276 1.00 0.00 N ATOM 682 CA ASN A 44 2.313 -12.169 -6.034 1.00 0.00 C ATOM 683 C ASN A 44 1.393 -10.977 -6.317 1.00 0.00 C ATOM 684 O ASN A 44 0.295 -11.166 -6.838 1.00 0.00 O ATOM 685 CB ASN A 44 1.518 -13.324 -5.390 1.00 0.00 C ATOM 686 CG ASN A 44 2.121 -14.675 -5.705 1.00 0.00 C ATOM 687 OD1 ASN A 44 1.824 -15.289 -6.724 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.985 -15.149 -4.836 1.00 0.00 N ATOM 0 H ASN A 44 4.381 -12.083 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 44 2.689 -12.511 -6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.488 -13.184 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.488 -13.296 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.430 -16.052 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.211 -14.614 -3.998 1.00 0.00 H new ATOM 695 N LEU A 45 1.805 -9.744 -6.028 1.00 0.00 N ATOM 696 CA LEU A 45 0.987 -8.561 -6.259 1.00 0.00 C ATOM 697 C LEU A 45 1.241 -7.983 -7.656 1.00 0.00 C ATOM 698 O LEU A 45 2.244 -8.334 -8.287 1.00 0.00 O ATOM 699 CB LEU A 45 1.316 -7.515 -5.195 1.00 0.00 C ATOM 700 CG LEU A 45 0.697 -7.858 -3.828 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.680 -7.570 -2.693 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.611 -7.078 -3.636 1.00 0.00 C ATOM 0 H LEU A 45 2.720 -9.540 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.065 -8.839 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.398 -7.433 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.953 -6.541 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 45 0.473 -8.925 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.217 -7.821 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.579 -8.170 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.945 -6.513 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.043 -7.326 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.406 -6.008 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.313 -7.345 -4.426 1.00 0.00 H new ATOM 714 N PRO A 46 0.363 -7.088 -8.136 1.00 0.00 N ATOM 715 CA PRO A 46 0.583 -6.262 -9.325 1.00 0.00 C ATOM 716 C PRO A 46 1.549 -5.098 -9.037 1.00 0.00 C ATOM 717 O PRO A 46 1.847 -4.754 -7.884 1.00 0.00 O ATOM 718 CB PRO A 46 -0.794 -5.684 -9.705 1.00 0.00 C ATOM 719 CG PRO A 46 -1.532 -5.728 -8.394 1.00 0.00 C ATOM 720 CD PRO A 46 -0.944 -6.826 -7.559 1.00 0.00 C ATOM 0 HA PRO A 46 1.024 -6.862 -10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.716 -4.669 -10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.289 -6.281 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.447 -4.772 -7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.594 -5.906 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.860 -6.524 -6.515 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.571 -7.717 -7.584 1.00 0.00 H new ATOM 728 N ALA A 47 1.949 -4.437 -10.124 1.00 0.00 N ATOM 729 CA ALA A 47 2.644 -3.159 -10.171 1.00 0.00 C ATOM 730 C ALA A 47 1.854 -2.039 -9.472 1.00 0.00 C ATOM 731 O ALA A 47 0.663 -2.194 -9.188 1.00 0.00 O ATOM 732 CB ALA A 47 2.898 -2.808 -11.647 1.00 0.00 C ATOM 0 H ALA A 47 1.782 -4.811 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 47 3.587 -3.248 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.419 -1.852 -11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.509 -3.585 -12.106 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.946 -2.737 -12.173 1.00 0.00 H new ATOM 738 N PRO A 48 2.486 -0.893 -9.177 1.00 0.00 N ATOM 739 CA PRO A 48 1.799 0.363 -8.898 1.00 0.00 C ATOM 740 C PRO A 48 1.175 0.958 -10.183 1.00 0.00 C ATOM 741 O PRO A 48 0.992 0.272 -11.193 1.00 0.00 O ATOM 742 CB PRO A 48 2.885 1.247 -8.267 1.00 0.00 C ATOM 743 CG PRO A 48 4.156 0.795 -8.973 1.00 0.00 C ATOM 744 CD PRO A 48 3.930 -0.705 -9.118 1.00 0.00 C ATOM 0 HA PRO A 48 0.947 0.254 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.688 2.306 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.949 1.099 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.280 1.283 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.048 1.017 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.410 -1.086 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.359 -1.247 -8.275 1.00 0.00 H new ATOM 752 N ASP A 49 0.801 2.235 -10.128 1.00 0.00 N ATOM 753 CA ASP A 49 0.606 3.116 -11.283 1.00 0.00 C ATOM 754 C ASP A 49 1.895 3.958 -11.422 1.00 0.00 C ATOM 755 O ASP A 49 2.912 3.654 -10.791 1.00 0.00 O ATOM 756 CB ASP A 49 -0.661 3.990 -11.110 1.00 0.00 C ATOM 757 CG ASP A 49 -1.990 3.295 -11.410 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.207 2.136 -10.990 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.862 3.960 -12.018 1.00 0.00 O ATOM 0 H ASP A 49 0.617 2.706 -9.242 1.00 0.00 H new ATOM 0 HA ASP A 49 0.438 2.544 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.688 4.360 -10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.572 4.860 -11.760 1.00 0.00 H new ATOM 764 N ALA A 50 1.908 4.988 -12.271 1.00 0.00 N ATOM 765 CA ALA A 50 3.049 5.881 -12.468 1.00 0.00 C ATOM 766 C ALA A 50 3.077 6.967 -11.386 1.00 0.00 C ATOM 767 O ALA A 50 2.283 7.906 -11.438 1.00 0.00 O ATOM 768 CB ALA A 50 2.962 6.504 -13.862 1.00 0.00 C ATOM 0 H ALA A 50 1.106 5.229 -12.854 1.00 0.00 H new ATOM 0 HA ALA A 50 3.974 5.310 -12.388 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.810 7.171 -14.016 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.979 5.716 -14.615 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.034 7.070 -13.950 1.00 0.00 H new ATOM 774 N GLY A 51 3.984 6.875 -10.416 1.00 0.00 N ATOM 775 CA GLY A 51 4.040 7.800 -9.287 1.00 0.00 C ATOM 776 C GLY A 51 3.030 7.383 -8.226 1.00 0.00 C ATOM 777 O GLY A 51 2.236 8.193 -7.737 1.00 0.00 O ATOM 0 H GLY A 51 4.704 6.153 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.044 7.809 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.828 8.814 -9.625 1.00 0.00 H new ATOM 781 N SER A 52 2.977 6.087 -7.935 1.00 0.00 N ATOM 782 CA SER A 52 2.352 5.556 -6.742 1.00 0.00 C ATOM 783 C SER A 52 3.217 4.419 -6.218 1.00 0.00 C ATOM 784 O SER A 52 4.105 3.914 -6.917 1.00 0.00 O ATOM 785 CB SER A 52 0.911 5.119 -7.028 1.00 0.00 C ATOM 786 OG SER A 52 0.792 4.416 -8.240 1.00 0.00 O ATOM 0 H SER A 52 3.377 5.368 -8.538 1.00 0.00 H new ATOM 0 HA SER A 52 2.283 6.325 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.556 4.491 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.267 5.998 -7.057 1.00 0.00 H new ATOM 0 HG SER A 52 1.024 5.008 -8.986 1.00 0.00 H new ATOM 792 N HIS A 53 2.953 3.989 -4.989 1.00 0.00 N ATOM 793 CA HIS A 53 3.700 2.926 -4.360 1.00 0.00 C ATOM 794 C HIS A 53 2.844 2.210 -3.335 1.00 0.00 C ATOM 795 O HIS A 53 1.977 2.797 -2.687 1.00 0.00 O ATOM 796 CB HIS A 53 4.960 3.522 -3.746 1.00 0.00 C ATOM 797 CG HIS A 53 4.728 4.599 -2.723 1.00 0.00 C ATOM 798 ND1 HIS A 53 4.665 5.957 -2.959 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.724 4.409 -1.370 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.641 6.574 -1.765 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.710 5.667 -0.779 1.00 0.00 N ATOM 0 H HIS A 53 2.210 4.375 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 53 3.992 2.177 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.533 2.719 -3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.576 3.931 -4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 53 4.641 6.410 -3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.730 3.459 -0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.576 7.642 -1.621 1.00 0.00 H new ATOM 809 N TRP A 54 3.072 0.907 -3.223 1.00 0.00 N ATOM 810 CA TRP A 54 2.468 0.101 -2.187 1.00 0.00 C ATOM 811 C TRP A 54 3.138 0.431 -0.851 1.00 0.00 C ATOM 812 O TRP A 54 4.333 0.744 -0.822 1.00 0.00 O ATOM 813 CB TRP A 54 2.562 -1.372 -2.580 1.00 0.00 C ATOM 814 CG TRP A 54 1.788 -1.703 -3.834 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.258 -1.741 -5.107 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.372 -2.059 -3.926 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.240 -2.141 -5.964 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.060 -2.355 -5.284 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.674 -2.196 -2.988 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -1.216 -2.783 -5.681 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.979 -2.542 -3.390 1.00 0.00 C ATOM 822 CH2 TRP A 54 -2.254 -2.818 -4.740 1.00 0.00 C ATOM 0 H TRP A 54 3.683 0.386 -3.852 1.00 0.00 H new ATOM 0 HA TRP A 54 1.407 0.322 -2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.609 -1.636 -2.727 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.191 -1.985 -1.759 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.267 -1.498 -5.407 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.352 -2.261 -6.971 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.469 -2.032 -1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.397 -3.083 -6.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.771 -2.595 -2.658 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.260 -3.056 -5.051 1.00 0.00 H new ATOM 833 N THR A 55 2.370 0.352 0.230 1.00 0.00 N ATOM 834 CA THR A 55 2.687 0.725 1.605 1.00 0.00 C ATOM 835 C THR A 55 2.101 -0.338 2.540 1.00 0.00 C ATOM 836 O THR A 55 1.341 -1.195 2.070 1.00 0.00 O ATOM 837 CB THR A 55 2.095 2.112 1.915 1.00 0.00 C ATOM 838 OG1 THR A 55 0.729 2.195 1.559 1.00 0.00 O ATOM 839 CG2 THR A 55 2.814 3.220 1.169 1.00 0.00 C ATOM 0 H THR A 55 1.419 -0.009 0.159 1.00 0.00 H new ATOM 0 HA THR A 55 3.766 0.778 1.748 1.00 0.00 H new ATOM 0 HB THR A 55 2.217 2.239 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.621 1.948 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.362 4.180 1.419 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.866 3.229 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.732 3.049 0.096 1.00 0.00 H new ATOM 847 N TYR A 56 2.437 -0.307 3.834 1.00 0.00 N ATOM 848 CA TYR A 56 2.073 -1.360 4.783 1.00 0.00 C ATOM 849 C TYR A 56 1.144 -0.846 5.890 1.00 0.00 C ATOM 850 O TYR A 56 1.572 -0.585 7.017 1.00 0.00 O ATOM 851 CB TYR A 56 3.371 -1.968 5.314 1.00 0.00 C ATOM 852 CG TYR A 56 3.233 -3.187 6.194 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.396 -4.245 5.807 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.053 -3.321 7.323 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.378 -5.450 6.531 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.068 -4.526 8.039 1.00 0.00 C ATOM 857 CZ TYR A 56 3.223 -5.595 7.659 1.00 0.00 C ATOM 858 OH TYR A 56 3.231 -6.741 8.387 1.00 0.00 O ATOM 0 H TYR A 56 2.972 0.454 4.253 1.00 0.00 H new ATOM 0 HA TYR A 56 1.491 -2.136 4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.998 -2.231 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.903 -1.200 5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.758 -4.132 4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.673 -2.496 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.726 -6.257 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.729 -4.639 8.886 1.00 0.00 H new ATOM 0 HH TYR A 56 3.874 -6.657 9.122 1.00 0.00 H new ATOM 868 N MET A 57 -0.141 -0.702 5.568 1.00 0.00 N ATOM 869 CA MET A 57 -1.185 -0.090 6.389 1.00 0.00 C ATOM 870 C MET A 57 -1.853 -1.157 7.245 1.00 0.00 C ATOM 871 O MET A 57 -2.747 -1.867 6.781 1.00 0.00 O ATOM 872 CB MET A 57 -2.236 0.582 5.487 1.00 0.00 C ATOM 873 CG MET A 57 -2.064 2.088 5.360 1.00 0.00 C ATOM 874 SD MET A 57 -0.614 2.547 4.404 1.00 0.00 S ATOM 875 CE MET A 57 -1.300 3.858 3.369 1.00 0.00 C ATOM 0 H MET A 57 -0.503 -1.030 4.672 1.00 0.00 H new ATOM 0 HA MET A 57 -0.735 0.664 7.035 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.188 0.135 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.229 0.371 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.952 2.512 4.891 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.990 2.526 6.356 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.501 4.531 3.058 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.768 3.419 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.045 4.416 3.935 1.00 0.00 H new ATOM 885 N GLY A 58 -1.446 -1.291 8.505 1.00 0.00 N ATOM 886 CA GLY A 58 -2.142 -2.172 9.438 1.00 0.00 C ATOM 887 C GLY A 58 -2.001 -3.666 9.131 1.00 0.00 C ATOM 888 O GLY A 58 -2.734 -4.471 9.708 1.00 0.00 O ATOM 0 H GLY A 58 -0.642 -0.804 8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.766 -1.984 10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.201 -1.913 9.440 1.00 0.00 H new ATOM 892 N GLY A 59 -1.098 -4.041 8.220 1.00 0.00 N ATOM 893 CA GLY A 59 -0.983 -5.392 7.685 1.00 0.00 C ATOM 894 C GLY A 59 -1.470 -5.480 6.240 1.00 0.00 C ATOM 895 O GLY A 59 -1.137 -6.437 5.548 1.00 0.00 O ATOM 0 H GLY A 59 -0.413 -3.395 7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.057 -5.715 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.561 -6.077 8.305 1.00 0.00 H new ATOM 899 N ASN A 60 -2.209 -4.481 5.752 1.00 0.00 N ATOM 900 CA ASN A 60 -2.740 -4.438 4.395 1.00 0.00 C ATOM 901 C ASN A 60 -1.703 -3.775 3.496 1.00 0.00 C ATOM 902 O ASN A 60 -1.109 -2.759 3.865 1.00 0.00 O ATOM 903 CB ASN A 60 -4.058 -3.648 4.339 1.00 0.00 C ATOM 904 CG ASN A 60 -5.070 -4.161 5.353 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.639 -5.229 5.175 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.261 -3.437 6.445 1.00 0.00 N ATOM 0 H ASN A 60 -2.459 -3.662 6.306 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.947 -5.454 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.858 -2.593 4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.481 -3.718 3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.899 -3.766 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.770 -2.551 6.561 1.00 0.00 H new ATOM 913 N TYR A 61 -1.510 -4.314 2.297 1.00 0.00 N ATOM 914 CA TYR A 61 -0.740 -3.688 1.241 1.00 0.00 C ATOM 915 C TYR A 61 -1.623 -2.653 0.550 1.00 0.00 C ATOM 916 O TYR A 61 -2.581 -3.008 -0.139 1.00 0.00 O ATOM 917 CB TYR A 61 -0.256 -4.735 0.231 1.00 0.00 C ATOM 918 CG TYR A 61 0.924 -5.564 0.697 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.124 -4.930 1.071 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.825 -6.965 0.786 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.218 -5.686 1.530 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.921 -7.728 1.229 1.00 0.00 C ATOM 923 CZ TYR A 61 3.126 -7.092 1.605 1.00 0.00 C ATOM 924 OH TYR A 61 4.196 -7.820 2.024 1.00 0.00 O ATOM 0 H TYR A 61 -1.896 -5.220 2.031 1.00 0.00 H new ATOM 0 HA TYR A 61 0.140 -3.204 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.084 -5.405 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.016 -4.229 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.205 -3.855 1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.097 -7.457 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.130 -5.189 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.841 -8.804 1.282 1.00 0.00 H new ATOM 0 HH TYR A 61 3.913 -8.444 2.725 1.00 0.00 H new ATOM 934 N VAL A 62 -1.304 -1.370 0.689 1.00 0.00 N ATOM 935 CA VAL A 62 -2.150 -0.274 0.221 1.00 0.00 C ATOM 936 C VAL A 62 -1.371 0.529 -0.822 1.00 0.00 C ATOM 937 O VAL A 62 -0.231 0.914 -0.574 1.00 0.00 O ATOM 938 CB VAL A 62 -2.607 0.519 1.461 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.306 1.825 1.098 1.00 0.00 C ATOM 940 CG2 VAL A 62 -3.589 -0.324 2.285 1.00 0.00 C ATOM 0 H VAL A 62 -0.441 -1.057 1.135 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.056 -0.606 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.706 0.752 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.606 2.342 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.624 2.457 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.188 1.610 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.909 0.242 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.458 -0.570 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.099 -1.243 2.606 1.00 0.00 H new ATOM 950 N LEU A 63 -1.922 0.716 -2.024 1.00 0.00 N ATOM 951 CA LEU A 63 -1.286 1.468 -3.104 1.00 0.00 C ATOM 952 C LEU A 63 -1.700 2.922 -2.980 1.00 0.00 C ATOM 953 O LEU A 63 -2.863 3.232 -3.230 1.00 0.00 O ATOM 954 CB LEU A 63 -1.698 0.911 -4.477 1.00 0.00 C ATOM 955 CG LEU A 63 -1.089 1.659 -5.680 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.440 1.723 -5.655 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.544 0.985 -6.983 1.00 0.00 C ATOM 0 H LEU A 63 -2.837 0.342 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.203 1.377 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.406 -0.138 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.785 0.944 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.448 2.687 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.796 2.264 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.768 2.239 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.847 0.712 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.114 1.512 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.209 -0.052 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.632 1.016 -7.048 1.00 0.00 H new ATOM 969 N ILE A 64 -0.765 3.805 -2.639 1.00 0.00 N ATOM 970 CA ILE A 64 -1.026 5.234 -2.522 1.00 0.00 C ATOM 971 C ILE A 64 -0.329 5.988 -3.641 1.00 0.00 C ATOM 972 O ILE A 64 0.716 5.556 -4.125 1.00 0.00 O ATOM 973 CB ILE A 64 -0.605 5.757 -1.141 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.891 5.550 -0.834 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.478 5.075 -0.088 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.355 6.435 0.321 1.00 0.00 C ATOM 0 H ILE A 64 0.200 3.546 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.099 5.403 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.752 6.837 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.071 4.504 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.480 5.773 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.197 5.431 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.525 5.311 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.335 3.996 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.415 6.262 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.199 7.482 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.783 6.193 1.217 1.00 0.00 H new ATOM 988 N THR A 65 -0.893 7.114 -4.058 1.00 0.00 N ATOM 989 CA THR A 65 -0.243 8.051 -4.951 1.00 0.00 C ATOM 990 C THR A 65 0.821 8.823 -4.187 1.00 0.00 C ATOM 991 O THR A 65 0.572 9.286 -3.080 1.00 0.00 O ATOM 992 CB THR A 65 -1.292 9.006 -5.547 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.566 8.883 -4.942 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.475 8.692 -7.019 1.00 0.00 C ATOM 0 H THR A 65 -1.830 7.402 -3.778 1.00 0.00 H new ATOM 0 HA THR A 65 0.238 7.513 -5.768 1.00 0.00 H new ATOM 0 HB THR A 65 -0.918 10.015 -5.375 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.227 8.628 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.218 9.366 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.526 8.821 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.813 7.662 -7.132 1.00 0.00 H new ATOM 1002 N ASP A 66 1.971 9.047 -4.812 1.00 0.00 N ATOM 1003 CA ASP A 66 2.986 9.971 -4.305 1.00 0.00 C ATOM 1004 C ASP A 66 2.474 11.420 -4.341 1.00 0.00 C ATOM 1005 O ASP A 66 3.016 12.307 -3.687 1.00 0.00 O ATOM 1006 CB ASP A 66 4.242 9.856 -5.176 1.00 0.00 C ATOM 1007 CG ASP A 66 5.007 8.553 -4.946 1.00 0.00 C ATOM 1008 OD1 ASP A 66 4.491 7.472 -5.295 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.159 8.593 -4.460 1.00 0.00 O ATOM 0 H ASP A 66 2.229 8.593 -5.688 1.00 0.00 H new ATOM 0 HA ASP A 66 3.214 9.711 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.958 9.924 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.900 10.700 -4.969 1.00 0.00 H new ATOM 1014 N THR A 67 1.418 11.667 -5.114 1.00 0.00 N ATOM 1015 CA THR A 67 0.973 12.962 -5.607 1.00 0.00 C ATOM 1016 C THR A 67 -0.197 13.539 -4.790 1.00 0.00 C ATOM 1017 O THR A 67 -0.681 14.634 -5.077 1.00 0.00 O ATOM 1018 CB THR A 67 0.534 12.731 -7.068 1.00 0.00 C ATOM 1019 OG1 THR A 67 -0.509 11.773 -7.093 1.00 0.00 O ATOM 1020 CG2 THR A 67 1.641 12.153 -7.959 1.00 0.00 C ATOM 0 H THR A 67 0.811 10.912 -5.433 1.00 0.00 H new ATOM 0 HA THR A 67 1.781 13.689 -5.522 1.00 0.00 H new ATOM 0 HB THR A 67 0.241 13.711 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.793 11.623 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.260 12.017 -8.971 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.488 12.839 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.963 11.191 -7.561 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.724 12.773 -3.831 1.00 0.00 N ATOM 1029 CA GLU A 68 -2.081 12.929 -3.303 1.00 0.00 C ATOM 1030 C GLU A 68 -2.275 11.962 -2.136 1.00 0.00 C ATOM 1031 O GLU A 68 -2.839 12.322 -1.105 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.065 12.581 -4.440 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.556 12.514 -4.094 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.271 13.854 -4.278 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.709 14.147 -5.413 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.417 14.625 -3.300 1.00 0.00 O ATOM 0 H GLU A 68 -0.208 12.011 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.252 13.946 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.937 13.319 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.773 11.616 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.036 11.763 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.670 12.186 -3.061 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.819 10.719 -2.307 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.067 9.642 -1.374 1.00 0.00 C ATOM 1045 C GLY A 69 -3.488 9.108 -1.471 1.00 0.00 C ATOM 1046 O GLY A 69 -4.003 8.593 -0.482 1.00 0.00 O ATOM 0 H GLY A 69 -1.260 10.439 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.363 8.831 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.882 9.994 -0.359 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.130 9.193 -2.641 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.322 8.411 -2.905 1.00 0.00 C ATOM 1052 C LYS A 70 -4.957 6.941 -2.821 1.00 0.00 C ATOM 1053 O LYS A 70 -3.976 6.519 -3.438 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.943 8.709 -4.279 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.207 9.573 -4.172 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.340 9.126 -5.108 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.949 9.046 -6.583 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.601 10.367 -7.134 1.00 0.00 N ATOM 0 H LYS A 70 -3.839 9.795 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.070 8.679 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.209 9.218 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.188 7.770 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.567 9.550 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.949 10.608 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.696 8.147 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.175 9.819 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.101 8.371 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.774 8.621 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.342 10.268 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.418 11.005 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.797 10.762 -6.606 1.00 0.00 H new ATOM 1072 N ILE A 71 -5.778 6.194 -2.097 1.00 0.00 N ATOM 1073 CA ILE A 71 -5.830 4.752 -1.989 1.00 0.00 C ATOM 1074 C ILE A 71 -6.283 4.258 -3.354 1.00 0.00 C ATOM 1075 O ILE A 71 -7.476 4.095 -3.607 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.798 4.358 -0.846 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.306 5.010 0.468 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -6.906 2.830 -0.695 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.149 4.681 1.694 1.00 0.00 C ATOM 0 H ILE A 71 -6.493 6.631 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.871 4.301 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.797 4.721 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.280 4.693 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.287 6.092 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.594 2.592 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.278 2.398 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.923 2.416 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.731 5.180 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.171 5.024 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.149 3.603 1.857 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.331 4.059 -4.261 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.629 3.570 -5.591 1.00 0.00 C ATOM 1093 C LEU A 72 -6.205 2.161 -5.484 1.00 0.00 C ATOM 1094 O LEU A 72 -7.192 1.861 -6.152 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.380 3.567 -6.486 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.686 4.920 -6.735 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.584 4.715 -7.784 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.642 6.011 -7.227 1.00 0.00 C ATOM 0 H LEU A 72 -4.340 4.232 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.357 4.237 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.650 2.890 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.659 3.148 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.282 5.259 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.081 5.663 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.861 3.988 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.027 4.348 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.088 6.937 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.098 5.699 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.421 6.175 -6.483 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.580 1.280 -4.692 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.950 -0.131 -4.547 1.00 0.00 C ATOM 1112 C LYS A 73 -5.533 -0.632 -3.166 1.00 0.00 C ATOM 1113 O LYS A 73 -4.668 -0.006 -2.545 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.257 -0.972 -5.629 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.798 -0.676 -7.035 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.297 -1.704 -8.041 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.839 -1.501 -8.474 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.698 -0.487 -9.538 1.00 0.00 N ATOM 0 H LYS A 73 -4.778 1.539 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.030 -0.227 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.185 -0.776 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.393 -2.030 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.888 -0.680 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.488 0.322 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.401 -2.699 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.935 -1.672 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.246 -1.201 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.433 -2.450 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.695 -0.389 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.241 -0.784 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.059 0.427 -9.197 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.066 -1.772 -2.717 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.662 -2.435 -1.481 1.00 0.00 C ATOM 1134 C VAL A 74 -5.652 -3.940 -1.745 1.00 0.00 C ATOM 1135 O VAL A 74 -6.496 -4.443 -2.493 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.637 -2.085 -0.336 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.201 -2.741 0.986 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.775 -0.567 -0.139 1.00 0.00 C ATOM 0 H VAL A 74 -6.805 -2.267 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.671 -2.101 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.611 -2.480 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.907 -2.476 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.181 -3.824 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.206 -2.388 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.470 -0.368 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.801 -0.141 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.152 -0.114 -1.056 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.717 -4.647 -1.120 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.706 -6.089 -0.964 1.00 0.00 C ATOM 1150 C TYR A 75 -4.283 -6.384 0.479 1.00 0.00 C ATOM 1151 O TYR A 75 -3.636 -5.547 1.107 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.737 -6.713 -1.976 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.318 -6.877 -3.370 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.268 -5.833 -4.310 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -4.953 -8.078 -3.714 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -4.864 -5.985 -5.578 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -5.540 -8.241 -4.976 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.506 -7.194 -5.916 1.00 0.00 C ATOM 1159 OH TYR A 75 -6.091 -7.363 -7.133 1.00 0.00 O ATOM 0 H TYR A 75 -3.907 -4.203 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.689 -6.520 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.843 -6.093 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.423 -7.690 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.770 -4.908 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.990 -8.886 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.829 -5.175 -6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.021 -9.175 -5.229 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.482 -8.260 -7.186 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.608 -7.552 1.021 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.127 -7.954 2.348 1.00 0.00 C ATOM 1171 C ASP A 76 -2.642 -8.367 2.281 1.00 0.00 C ATOM 1172 O ASP A 76 -2.154 -8.751 1.218 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.005 -9.092 2.880 1.00 0.00 C ATOM 1174 CG ASP A 76 -4.799 -9.388 4.369 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.020 -8.685 5.054 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -5.424 -10.364 4.830 1.00 0.00 O ATOM 0 H ASP A 76 -5.204 -8.243 0.565 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.198 -7.111 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.052 -8.840 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.798 -9.996 2.307 1.00 0.00 H new ATOM 1181 N GLY A 77 -1.920 -8.321 3.405 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.551 -8.803 3.600 1.00 0.00 C ATOM 1183 C GLY A 77 -0.391 -10.282 3.300 1.00 0.00 C ATOM 1184 O GLY A 77 0.685 -10.699 2.877 1.00 0.00 O ATOM 0 H GLY A 77 -2.304 -7.918 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.123 -8.234 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.249 -8.613 4.630 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.454 -11.066 3.480 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.415 -12.522 3.411 1.00 0.00 C ATOM 1190 C GLU A 78 -1.016 -13.033 2.023 1.00 0.00 C ATOM 1191 O GLU A 78 -0.486 -14.140 1.895 1.00 0.00 O ATOM 1192 CB GLU A 78 -2.765 -13.088 3.879 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.002 -12.685 5.343 1.00 0.00 C ATOM 1194 CD GLU A 78 -3.994 -13.574 6.082 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -3.669 -14.757 6.320 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.047 -13.090 6.553 1.00 0.00 O ATOM 0 H GLU A 78 -2.383 -10.697 3.682 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.635 -12.881 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.570 -12.708 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.771 -14.174 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.049 -12.704 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.362 -11.656 5.371 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.162 -12.199 0.991 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.688 -12.479 -0.353 1.00 0.00 C ATOM 1205 C ILE A 79 0.836 -12.707 -0.389 1.00 0.00 C ATOM 1206 O ILE A 79 1.332 -13.401 -1.279 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.169 -11.341 -1.273 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.102 -11.768 -2.748 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.378 -10.044 -1.029 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.936 -10.869 -3.664 1.00 0.00 C ATOM 0 H ILE A 79 -1.623 -11.293 1.075 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.107 -13.417 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.211 -11.133 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.064 -11.753 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.451 -12.796 -2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.745 -9.263 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.508 -9.728 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.680 -10.221 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.850 -11.218 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.981 -10.904 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.572 -9.844 -3.598 1.00 0.00 H new ATOM 1222 N PHE A 80 1.593 -12.215 0.601 1.00 0.00 N ATOM 1223 CA PHE A 80 3.034 -12.425 0.731 1.00 0.00 C ATOM 1224 C PHE A 80 3.403 -13.903 0.964 1.00 0.00 C ATOM 1225 O PHE A 80 4.584 -14.255 0.906 1.00 0.00 O ATOM 1226 CB PHE A 80 3.575 -11.523 1.857 1.00 0.00 C ATOM 1227 CG PHE A 80 5.092 -11.446 1.977 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.908 -11.335 0.832 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.699 -11.516 3.245 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.309 -11.315 0.951 1.00 0.00 C ATOM 1231 CE2 PHE A 80 7.101 -11.497 3.365 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.908 -11.397 2.219 1.00 0.00 C ATOM 0 H PHE A 80 1.205 -11.645 1.352 1.00 0.00 H new ATOM 0 HA PHE A 80 3.504 -12.151 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.190 -10.515 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.172 -11.878 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.453 -11.265 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.085 -11.585 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.925 -11.237 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.558 -11.559 4.341 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.984 -11.383 2.313 1.00 0.00 H new ATOM 1242 N TYR A 81 2.412 -14.778 1.172 1.00 0.00 N ATOM 1243 CA TYR A 81 2.589 -16.216 1.357 1.00 0.00 C ATOM 1244 C TYR A 81 1.858 -17.028 0.275 1.00 0.00 C ATOM 1245 O TYR A 81 1.941 -18.258 0.277 1.00 0.00 O ATOM 1246 CB TYR A 81 2.138 -16.586 2.781 1.00 0.00 C ATOM 1247 CG TYR A 81 2.805 -15.722 3.839 1.00 0.00 C ATOM 1248 CD1 TYR A 81 4.130 -15.986 4.224 1.00 0.00 C ATOM 1249 CD2 TYR A 81 2.149 -14.582 4.341 1.00 0.00 C ATOM 1250 CE1 TYR A 81 4.812 -15.102 5.077 1.00 0.00 C ATOM 1251 CE2 TYR A 81 2.824 -13.699 5.203 1.00 0.00 C ATOM 1252 CZ TYR A 81 4.161 -13.953 5.574 1.00 0.00 C ATOM 1253 OH TYR A 81 4.838 -13.084 6.375 1.00 0.00 O ATOM 0 H TYR A 81 1.434 -14.491 1.217 1.00 0.00 H new ATOM 0 HA TYR A 81 3.643 -16.472 1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.056 -16.479 2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.369 -17.634 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.627 -16.874 3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.124 -14.385 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.837 -15.302 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.317 -12.824 5.582 1.00 0.00 H new ATOM 0 HH TYR A 81 4.246 -12.345 6.630 1.00 0.00 H new ATOM 1263 N HIS A 82 1.163 -16.357 -0.651 1.00 0.00 N ATOM 1264 CA HIS A 82 0.393 -16.939 -1.743 1.00 0.00 C ATOM 1265 C HIS A 82 1.349 -17.458 -2.823 1.00 0.00 C ATOM 1266 O HIS A 82 2.534 -17.113 -2.822 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.533 -15.832 -2.273 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.487 -16.181 -3.382 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.240 -17.326 -3.513 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.794 -15.360 -4.433 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.966 -17.205 -4.636 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.738 -16.019 -5.219 1.00 0.00 N ATOM 0 H HIS A 82 1.124 -15.338 -0.654 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.206 -17.789 -1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.119 -15.457 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.093 -15.009 -2.618 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -2.245 -18.121 -2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.380 -14.380 -4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.640 -17.958 -5.017 1.00 0.00 H new ATOM 1280 N ARG A 83 0.835 -18.275 -3.741 1.00 0.00 N ATOM 1281 CA ARG A 83 1.489 -18.942 -4.840 1.00 0.00 C ATOM 1282 C ARG A 83 0.417 -19.180 -5.886 1.00 0.00 C ATOM 1283 O ARG A 83 0.717 -19.092 -7.094 1.00 0.00 O ATOM 1284 CB ARG A 83 1.943 -20.315 -4.365 1.00 0.00 C ATOM 1285 CG ARG A 83 3.163 -20.331 -3.444 1.00 0.00 C ATOM 1286 CD ARG A 83 3.400 -21.782 -3.034 1.00 0.00 C ATOM 1287 NE ARG A 83 4.467 -21.894 -2.038 1.00 0.00 N ATOM 1288 CZ ARG A 83 4.598 -22.894 -1.165 1.00 0.00 C ATOM 1289 NH1 ARG A 83 3.703 -23.870 -1.082 1.00 0.00 N ATOM 1290 NH2 ARG A 83 5.661 -22.952 -0.381 1.00 0.00 N ATOM 0 H ARG A 83 -0.159 -18.503 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 83 2.331 -18.360 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.112 -20.791 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.164 -20.927 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.037 -19.928 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.991 -19.707 -2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.479 -22.201 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.659 -22.371 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 83 5.164 -21.150 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.888 -23.868 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.830 -24.622 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.381 -22.232 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.761 -23.717 0.287 1.00 0.00 H new TER 1304 ARG A 83