USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 35 ASN : amide:sc= -1.08 K(o=-0.86,f=-3.2!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -168:sc= 0.226 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.388 (180deg=0.0389) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -160:sc= -1.94 (180deg=-2.99!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0633 F(o=-1.5,f=-0.063) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.344 USER MOD Single : A 32 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0463 USER MOD Single : A 54 THR OG1 : rot 160:sc= -0.536 USER MOD Single : A 56 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.068) USER MOD Single : A 58 MET CE :methyl -171:sc= -1.97 (180deg=-2.39!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.391 K(o=-0.39,f=-15!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.207 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.21 F(o=-4.1!,f=-2.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.105 6.772 2.735 1.00 0.00 N ATOM 2 CA MET A 1 -14.976 6.065 2.142 1.00 0.00 C ATOM 3 C MET A 1 -15.457 4.951 1.218 1.00 0.00 C ATOM 4 O MET A 1 -16.426 4.256 1.521 1.00 0.00 O ATOM 5 CB MET A 1 -14.078 5.485 3.237 1.00 0.00 C ATOM 6 CG MET A 1 -13.272 6.536 3.982 1.00 0.00 C ATOM 7 SD MET A 1 -14.112 7.136 5.460 1.00 0.00 S ATOM 8 CE MET A 1 -13.005 8.447 5.971 1.00 0.00 C ATOM 0 H1 MET A 1 -15.864 7.060 3.705 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.323 7.616 2.167 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.935 6.145 2.757 1.00 0.00 H new ATOM 0 HA MET A 1 -14.401 6.779 1.552 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.695 4.939 3.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.394 4.764 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.306 6.116 4.263 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.073 7.375 3.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.390 8.916 6.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.017 8.032 6.170 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.933 9.192 5.179 1.00 0.00 H new ATOM 16 N ALA A 2 -14.773 4.786 0.091 1.00 0.00 N ATOM 17 CA ALA A 2 -15.130 3.755 -0.876 1.00 0.00 C ATOM 18 C ALA A 2 -13.885 3.089 -1.452 1.00 0.00 C ATOM 19 O ALA A 2 -12.778 3.615 -1.335 1.00 0.00 O ATOM 20 CB ALA A 2 -15.979 4.348 -1.990 1.00 0.00 C ATOM 0 H ALA A 2 -13.968 5.353 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.712 2.992 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.238 3.567 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.891 4.770 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.417 5.132 -2.497 1.00 0.00 H new ATOM 26 N ARG A 3 -14.075 1.930 -2.075 1.00 0.00 N ATOM 27 CA ARG A 3 -12.967 1.191 -2.669 1.00 0.00 C ATOM 28 C ARG A 3 -13.469 -0.058 -3.387 1.00 0.00 C ATOM 29 O ARG A 3 -14.521 -0.599 -3.050 1.00 0.00 O ATOM 30 CB ARG A 3 -11.951 0.802 -1.593 1.00 0.00 C ATOM 31 CG ARG A 3 -12.556 0.018 -0.440 1.00 0.00 C ATOM 32 CD ARG A 3 -12.972 0.934 0.700 1.00 0.00 C ATOM 33 NE ARG A 3 -13.190 0.199 1.943 1.00 0.00 N ATOM 34 CZ ARG A 3 -13.849 0.695 2.983 1.00 0.00 C ATOM 35 NH1 ARG A 3 -14.353 1.920 2.932 1.00 0.00 N ATOM 36 NH2 ARG A 3 -14.006 -0.037 4.080 1.00 0.00 N ATOM 0 H ARG A 3 -14.986 1.483 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.482 1.838 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.160 0.208 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.485 1.706 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.423 -0.541 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.833 -0.712 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.202 1.690 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.886 1.461 0.426 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.815 -0.747 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.235 2.485 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.859 2.297 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.620 -0.980 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.512 0.344 4.879 1.00 0.00 H new ATOM 47 N GLY A 4 -12.708 -0.510 -4.379 1.00 0.00 N ATOM 48 CA GLY A 4 -13.092 -1.691 -5.129 1.00 0.00 C ATOM 49 C GLY A 4 -12.032 -2.114 -6.128 1.00 0.00 C ATOM 50 O GLY A 4 -12.205 -1.947 -7.334 1.00 0.00 O ATOM 0 H GLY A 4 -11.833 -0.079 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.282 -2.511 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.026 -1.495 -5.656 1.00 0.00 H new ATOM 54 N SER A 5 -10.932 -2.662 -5.623 1.00 0.00 N ATOM 55 CA SER A 5 -9.837 -3.105 -6.479 1.00 0.00 C ATOM 56 C SER A 5 -9.353 -4.492 -6.068 1.00 0.00 C ATOM 57 O SER A 5 -9.509 -5.461 -6.811 1.00 0.00 O ATOM 58 CB SER A 5 -8.677 -2.108 -6.416 1.00 0.00 C ATOM 59 OG SER A 5 -8.828 -1.088 -7.388 1.00 0.00 O ATOM 0 H SER A 5 -10.775 -2.810 -4.626 1.00 0.00 H new ATOM 0 HA SER A 5 -10.207 -3.157 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.629 -1.663 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.734 -2.631 -6.577 1.00 0.00 H new ATOM 0 HG SER A 5 -8.076 -0.463 -7.326 1.00 0.00 H new ATOM 64 N VAL A 6 -8.767 -4.580 -4.879 1.00 0.00 N ATOM 65 CA VAL A 6 -8.261 -5.848 -4.367 1.00 0.00 C ATOM 66 C VAL A 6 -9.403 -6.795 -4.018 1.00 0.00 C ATOM 67 O VAL A 6 -10.511 -6.358 -3.702 1.00 0.00 O ATOM 68 CB VAL A 6 -7.382 -5.639 -3.119 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.221 -5.727 -1.855 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.249 -6.654 -3.091 1.00 0.00 C ATOM 0 H VAL A 6 -8.631 -3.788 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.656 -6.290 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.944 -4.642 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.583 -5.577 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.993 -4.958 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.689 -6.710 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.638 -6.492 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.664 -7.662 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.633 -6.536 -3.982 1.00 0.00 H new ATOM 80 N SER A 7 -9.127 -8.093 -4.077 1.00 0.00 N ATOM 81 CA SER A 7 -10.133 -9.103 -3.770 1.00 0.00 C ATOM 82 C SER A 7 -10.830 -8.792 -2.449 1.00 0.00 C ATOM 83 O SER A 7 -10.264 -8.134 -1.576 1.00 0.00 O ATOM 84 CB SER A 7 -9.491 -10.490 -3.706 1.00 0.00 C ATOM 85 OG SER A 7 -9.877 -11.282 -4.815 1.00 0.00 O ATOM 0 H SER A 7 -8.215 -8.471 -4.335 1.00 0.00 H new ATOM 0 HA SER A 7 -10.878 -9.091 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.406 -10.391 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.783 -10.987 -2.781 1.00 0.00 H new ATOM 0 HG SER A 7 -9.452 -12.163 -4.752 1.00 0.00 H new ATOM 90 N ASP A 8 -12.062 -9.269 -2.311 1.00 0.00 N ATOM 91 CA ASP A 8 -12.838 -9.043 -1.097 1.00 0.00 C ATOM 92 C ASP A 8 -12.061 -9.492 0.137 1.00 0.00 C ATOM 93 O ASP A 8 -11.834 -8.708 1.058 1.00 0.00 O ATOM 94 CB ASP A 8 -14.173 -9.787 -1.173 1.00 0.00 C ATOM 95 CG ASP A 8 -15.307 -8.894 -1.638 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.833 -8.122 -0.809 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.668 -8.968 -2.831 1.00 0.00 O ATOM 0 H ASP A 8 -12.545 -9.815 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.031 -7.974 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.077 -10.632 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.415 -10.195 -0.192 1.00 0.00 H new ATOM 101 N GLU A 9 -11.656 -10.758 0.146 1.00 0.00 N ATOM 102 CA GLU A 9 -10.906 -11.312 1.266 1.00 0.00 C ATOM 103 C GLU A 9 -9.766 -10.381 1.671 1.00 0.00 C ATOM 104 O GLU A 9 -9.714 -9.903 2.803 1.00 0.00 O ATOM 105 CB GLU A 9 -10.350 -12.691 0.906 1.00 0.00 C ATOM 106 CG GLU A 9 -11.251 -13.839 1.328 1.00 0.00 C ATOM 107 CD GLU A 9 -10.564 -15.187 1.223 1.00 0.00 C ATOM 108 OE1 GLU A 9 -9.686 -15.472 2.064 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.905 -15.957 0.301 1.00 0.00 O ATOM 0 H GLU A 9 -11.835 -11.419 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.587 -11.413 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.193 -12.740 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.374 -12.814 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.578 -13.681 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.146 -13.842 0.706 1.00 0.00 H new ATOM 114 N GLU A 10 -8.855 -10.131 0.736 1.00 0.00 N ATOM 115 CA GLU A 10 -7.715 -9.259 0.995 1.00 0.00 C ATOM 116 C GLU A 10 -8.178 -7.885 1.471 1.00 0.00 C ATOM 117 O GLU A 10 -7.759 -7.408 2.525 1.00 0.00 O ATOM 118 CB GLU A 10 -6.859 -9.113 -0.265 1.00 0.00 C ATOM 119 CG GLU A 10 -5.637 -10.014 -0.278 1.00 0.00 C ATOM 120 CD GLU A 10 -5.914 -11.382 0.313 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.250 -11.744 1.308 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.794 -12.092 -0.217 1.00 0.00 O ATOM 0 H GLU A 10 -8.884 -10.519 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.114 -9.714 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.472 -9.334 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.536 -8.076 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.287 -10.130 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.833 -9.537 0.282 1.00 0.00 H new ATOM 127 N MET A 11 -9.045 -7.255 0.685 1.00 0.00 N ATOM 128 CA MET A 11 -9.566 -5.935 1.026 1.00 0.00 C ATOM 129 C MET A 11 -9.818 -5.822 2.526 1.00 0.00 C ATOM 130 O MET A 11 -9.464 -4.822 3.151 1.00 0.00 O ATOM 131 CB MET A 11 -10.860 -5.660 0.257 1.00 0.00 C ATOM 132 CG MET A 11 -11.188 -4.181 0.132 1.00 0.00 C ATOM 133 SD MET A 11 -11.434 -3.667 -1.579 1.00 0.00 S ATOM 134 CE MET A 11 -10.268 -2.311 -1.695 1.00 0.00 C ATOM 0 H MET A 11 -9.402 -7.636 -0.191 1.00 0.00 H new ATOM 0 HA MET A 11 -8.820 -5.192 0.744 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.779 -6.092 -0.741 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.685 -6.166 0.758 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.088 -3.963 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.380 -3.595 0.571 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.536 -1.671 -2.536 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.294 -1.729 -0.774 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.264 -2.707 -1.846 1.00 0.00 H new ATOM 142 N MET A 12 -10.434 -6.852 3.098 1.00 0.00 N ATOM 143 CA MET A 12 -10.733 -6.867 4.526 1.00 0.00 C ATOM 144 C MET A 12 -9.451 -6.951 5.349 1.00 0.00 C ATOM 145 O MET A 12 -9.275 -6.210 6.315 1.00 0.00 O ATOM 146 CB MET A 12 -11.648 -8.045 4.864 1.00 0.00 C ATOM 147 CG MET A 12 -13.128 -7.701 4.805 1.00 0.00 C ATOM 148 SD MET A 12 -14.116 -8.687 5.946 1.00 0.00 S ATOM 149 CE MET A 12 -13.822 -7.819 7.485 1.00 0.00 C ATOM 0 H MET A 12 -10.736 -7.687 2.595 1.00 0.00 H new ATOM 0 HA MET A 12 -11.243 -5.937 4.775 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.445 -8.862 4.172 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.407 -8.407 5.864 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.261 -6.644 5.035 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.492 -7.854 3.789 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.368 -8.311 8.290 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.756 -7.829 7.711 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.163 -6.788 7.392 1.00 0.00 H new ATOM 157 N GLU A 13 -8.560 -7.857 4.958 1.00 0.00 N ATOM 158 CA GLU A 13 -7.296 -8.038 5.662 1.00 0.00 C ATOM 159 C GLU A 13 -6.397 -6.818 5.485 1.00 0.00 C ATOM 160 O GLU A 13 -6.024 -6.162 6.459 1.00 0.00 O ATOM 161 CB GLU A 13 -6.579 -9.290 5.155 1.00 0.00 C ATOM 162 CG GLU A 13 -6.825 -10.521 6.012 1.00 0.00 C ATOM 163 CD GLU A 13 -5.762 -10.712 7.076 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.125 -10.787 8.270 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.568 -10.785 6.718 1.00 0.00 O ATOM 0 H GLU A 13 -8.690 -8.476 4.158 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.514 -8.158 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.904 -9.497 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.508 -9.094 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.801 -10.438 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.857 -11.404 5.373 1.00 0.00 H new ATOM 170 N LEU A 14 -6.052 -6.520 4.237 1.00 0.00 N ATOM 171 CA LEU A 14 -5.195 -5.379 3.932 1.00 0.00 C ATOM 172 C LEU A 14 -5.661 -4.133 4.679 1.00 0.00 C ATOM 173 O LEU A 14 -4.859 -3.429 5.293 1.00 0.00 O ATOM 174 CB LEU A 14 -5.186 -5.111 2.427 1.00 0.00 C ATOM 175 CG LEU A 14 -5.123 -6.346 1.526 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.852 -5.941 0.085 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.055 -7.311 2.020 1.00 0.00 C ATOM 0 H LEU A 14 -6.352 -7.052 3.420 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.183 -5.619 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.083 -4.546 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.332 -4.474 2.197 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.088 -6.851 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.810 -6.832 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.651 -5.288 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.900 -5.413 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.024 -8.184 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.084 -6.815 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.291 -7.626 3.036 1.00 0.00 H new ATOM 188 N ARG A 15 -6.962 -3.869 4.624 1.00 0.00 N ATOM 189 CA ARG A 15 -7.535 -2.709 5.296 1.00 0.00 C ATOM 190 C ARG A 15 -7.294 -2.779 6.801 1.00 0.00 C ATOM 191 O ARG A 15 -6.884 -1.796 7.419 1.00 0.00 O ATOM 192 CB ARG A 15 -9.036 -2.618 5.013 1.00 0.00 C ATOM 193 CG ARG A 15 -9.779 -1.686 5.957 1.00 0.00 C ATOM 194 CD ARG A 15 -10.732 -0.773 5.202 1.00 0.00 C ATOM 195 NE ARG A 15 -10.718 0.588 5.730 1.00 0.00 N ATOM 196 CZ ARG A 15 -9.678 1.407 5.623 1.00 0.00 C ATOM 197 NH1 ARG A 15 -8.574 1.005 5.010 1.00 0.00 N ATOM 198 NH2 ARG A 15 -9.742 2.633 6.129 1.00 0.00 N ATOM 0 H ARG A 15 -7.639 -4.442 4.121 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.044 -1.817 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.184 -2.277 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.471 -3.615 5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.337 -2.274 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.062 -1.084 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.458 -0.756 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.743 -1.175 5.262 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.553 0.929 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.521 0.064 4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.777 1.636 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.590 2.947 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.943 3.261 6.046 1.00 0.00 H new ATOM 209 N GLU A 16 -7.551 -3.945 7.383 1.00 0.00 N ATOM 210 CA GLU A 16 -7.364 -4.142 8.816 1.00 0.00 C ATOM 211 C GLU A 16 -5.977 -3.679 9.251 1.00 0.00 C ATOM 212 O GLU A 16 -5.842 -2.811 10.113 1.00 0.00 O ATOM 213 CB GLU A 16 -7.560 -5.614 9.181 1.00 0.00 C ATOM 214 CG GLU A 16 -8.889 -5.901 9.859 1.00 0.00 C ATOM 215 CD GLU A 16 -8.872 -5.570 11.340 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.921 -4.369 11.678 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.810 -6.512 12.157 1.00 0.00 O ATOM 0 H GLU A 16 -7.889 -4.768 6.885 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.109 -3.544 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.486 -6.217 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.750 -5.927 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.674 -5.324 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.139 -6.954 9.729 1.00 0.00 H new ATOM 222 N ALA A 17 -4.947 -4.265 8.648 1.00 0.00 N ATOM 223 CA ALA A 17 -3.571 -3.912 8.971 1.00 0.00 C ATOM 224 C ALA A 17 -3.306 -2.433 8.709 1.00 0.00 C ATOM 225 O ALA A 17 -2.863 -1.705 9.598 1.00 0.00 O ATOM 226 CB ALA A 17 -2.604 -4.773 8.172 1.00 0.00 C ATOM 0 H ALA A 17 -5.041 -4.986 7.933 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.415 -4.099 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.579 -4.498 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.768 -5.823 8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.771 -4.615 7.107 1.00 0.00 H new ATOM 232 N PHE A 18 -3.580 -1.996 7.485 1.00 0.00 N ATOM 233 CA PHE A 18 -3.370 -0.604 7.106 1.00 0.00 C ATOM 234 C PHE A 18 -3.824 0.337 8.218 1.00 0.00 C ATOM 235 O PHE A 18 -3.053 1.170 8.693 1.00 0.00 O ATOM 236 CB PHE A 18 -4.126 -0.286 5.813 1.00 0.00 C ATOM 237 CG PHE A 18 -3.904 1.115 5.319 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.465 2.194 5.981 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.135 1.352 4.191 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.263 3.485 5.529 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.929 2.640 3.734 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.495 3.707 4.404 1.00 0.00 C ATOM 0 H PHE A 18 -3.948 -2.586 6.738 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.303 -0.455 6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.818 -0.989 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.192 -0.440 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.068 2.025 6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.692 0.521 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.705 4.318 6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.326 2.812 2.854 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.337 4.714 4.048 1.00 0.00 H new ATOM 251 N ALA A 19 -5.080 0.197 8.628 1.00 0.00 N ATOM 252 CA ALA A 19 -5.637 1.033 9.685 1.00 0.00 C ATOM 253 C ALA A 19 -4.722 1.055 10.905 1.00 0.00 C ATOM 254 O ALA A 19 -4.445 2.115 11.467 1.00 0.00 O ATOM 255 CB ALA A 19 -7.024 0.541 10.070 1.00 0.00 C ATOM 0 H ALA A 19 -5.732 -0.488 8.244 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.718 2.052 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.428 1.174 10.860 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.679 0.583 9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.959 -0.487 10.426 1.00 0.00 H new ATOM 261 N LYS A 20 -4.257 -0.121 11.312 1.00 0.00 N ATOM 262 CA LYS A 20 -3.374 -0.238 12.466 1.00 0.00 C ATOM 263 C LYS A 20 -2.133 0.632 12.291 1.00 0.00 C ATOM 264 O LYS A 20 -1.523 1.065 13.269 1.00 0.00 O ATOM 265 CB LYS A 20 -2.962 -1.697 12.674 1.00 0.00 C ATOM 266 CG LYS A 20 -4.127 -2.670 12.633 1.00 0.00 C ATOM 267 CD LYS A 20 -4.123 -3.597 13.837 1.00 0.00 C ATOM 268 CE LYS A 20 -2.778 -4.287 14.004 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.804 -5.295 15.100 1.00 0.00 N ATOM 0 H LYS A 20 -4.477 -1.008 10.859 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.918 0.108 13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.240 -1.975 11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.456 -1.789 13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.065 -2.115 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.077 -3.260 11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.355 -3.027 14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.906 -4.347 13.723 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.501 -4.774 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.011 -3.542 14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.869 -5.743 15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.043 -4.826 15.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.518 -6.021 14.887 1.00 0.00 H new ATOM 279 N VAL A 21 -1.766 0.887 11.039 1.00 0.00 N ATOM 280 CA VAL A 21 -0.599 1.707 10.737 1.00 0.00 C ATOM 281 C VAL A 21 -1.011 3.048 10.141 1.00 0.00 C ATOM 282 O VAL A 21 -0.166 3.834 9.713 1.00 0.00 O ATOM 283 CB VAL A 21 0.352 0.993 9.758 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.679 0.682 10.434 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.292 -0.277 9.222 1.00 0.00 C ATOM 0 H VAL A 21 -2.260 0.538 10.218 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.078 1.875 11.679 1.00 0.00 H new ATOM 0 HB VAL A 21 0.547 1.658 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.338 0.178 9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.145 1.610 10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.506 0.035 11.294 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.393 -0.769 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.517 -0.949 10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.214 -0.024 8.699 1.00 0.00 H new ATOM 295 N ASP A 22 -2.313 3.303 10.116 1.00 0.00 N ATOM 296 CA ASP A 22 -2.839 4.551 9.573 1.00 0.00 C ATOM 297 C ASP A 22 -2.872 5.638 10.643 1.00 0.00 C ATOM 298 O ASP A 22 -3.920 5.918 11.226 1.00 0.00 O ATOM 299 CB ASP A 22 -4.242 4.334 9.004 1.00 0.00 C ATOM 300 CG ASP A 22 -4.940 5.639 8.673 1.00 0.00 C ATOM 301 OD1 ASP A 22 -6.188 5.667 8.698 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.237 6.632 8.389 1.00 0.00 O ATOM 0 H ASP A 22 -3.025 2.662 10.465 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.177 4.877 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.176 3.722 8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.841 3.777 9.724 1.00 0.00 H new ATOM 306 N THR A 23 -1.718 6.246 10.898 1.00 0.00 N ATOM 307 CA THR A 23 -1.614 7.301 11.899 1.00 0.00 C ATOM 308 C THR A 23 -2.595 8.430 11.611 1.00 0.00 C ATOM 309 O THR A 23 -3.227 8.964 12.523 1.00 0.00 O ATOM 310 CB THR A 23 -0.188 7.878 11.961 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.146 8.984 12.870 1.00 0.00 O ATOM 312 CG2 THR A 23 0.274 8.330 10.583 1.00 0.00 C ATOM 0 H THR A 23 -0.842 6.026 10.425 1.00 0.00 H new ATOM 0 HA THR A 23 -1.857 6.849 12.861 1.00 0.00 H new ATOM 0 HB THR A 23 0.482 7.094 12.312 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.765 9.344 12.905 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.284 8.734 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.269 7.480 9.901 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.400 9.100 10.208 1.00 0.00 H new ATOM 320 N ASP A 24 -2.720 8.791 10.339 1.00 0.00 N ATOM 321 CA ASP A 24 -3.627 9.857 9.930 1.00 0.00 C ATOM 322 C ASP A 24 -5.072 9.499 10.264 1.00 0.00 C ATOM 323 O ASP A 24 -5.911 10.377 10.455 1.00 0.00 O ATOM 324 CB ASP A 24 -3.488 10.128 8.432 1.00 0.00 C ATOM 325 CG ASP A 24 -2.208 10.867 8.093 1.00 0.00 C ATOM 326 OD1 ASP A 24 -2.108 12.067 8.429 1.00 0.00 O ATOM 327 OD2 ASP A 24 -1.306 10.247 7.493 1.00 0.00 O ATOM 0 H ASP A 24 -2.204 8.360 9.572 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.359 10.759 10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.512 9.182 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.343 10.712 8.091 1.00 0.00 H new ATOM 331 N GLY A 25 -5.354 8.202 10.330 1.00 0.00 N ATOM 332 CA GLY A 25 -6.698 7.750 10.639 1.00 0.00 C ATOM 333 C GLY A 25 -7.674 8.021 9.511 1.00 0.00 C ATOM 334 O GLY A 25 -8.871 7.772 9.645 1.00 0.00 O ATOM 0 H GLY A 25 -4.676 7.456 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.679 6.681 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.046 8.247 11.544 1.00 0.00 H new ATOM 338 N ASN A 26 -7.162 8.534 8.398 1.00 0.00 N ATOM 339 CA ASN A 26 -7.997 8.842 7.243 1.00 0.00 C ATOM 340 C ASN A 26 -7.644 7.944 6.062 1.00 0.00 C ATOM 341 O ASN A 26 -7.915 8.279 4.909 1.00 0.00 O ATOM 342 CB ASN A 26 -7.835 10.311 6.847 1.00 0.00 C ATOM 343 CG ASN A 26 -7.759 11.229 8.051 1.00 0.00 C ATOM 344 OD1 ASN A 26 -6.598 11.841 8.256 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -8.732 11.387 8.788 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.172 8.745 8.271 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.036 8.659 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.931 10.426 6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.674 10.610 6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.605 10.897 8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.666 12.008 9.594 1.00 0.00 H new ATOM 351 N GLY A 27 -7.038 6.797 6.357 1.00 0.00 N ATOM 352 CA GLY A 27 -6.659 5.867 5.309 1.00 0.00 C ATOM 353 C GLY A 27 -5.349 6.244 4.646 1.00 0.00 C ATOM 354 O GLY A 27 -5.151 5.988 3.458 1.00 0.00 O ATOM 0 H GLY A 27 -6.803 6.496 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.575 4.865 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.447 5.832 4.556 1.00 0.00 H new ATOM 358 N TYR A 28 -4.454 6.856 5.413 1.00 0.00 N ATOM 359 CA TYR A 28 -3.158 7.273 4.892 1.00 0.00 C ATOM 360 C TYR A 28 -2.023 6.723 5.750 1.00 0.00 C ATOM 361 O TYR A 28 -2.095 6.740 6.979 1.00 0.00 O ATOM 362 CB TYR A 28 -3.075 8.800 4.833 1.00 0.00 C ATOM 363 CG TYR A 28 -3.342 9.368 3.457 1.00 0.00 C ATOM 364 CD1 TYR A 28 -4.593 9.872 3.124 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.343 9.401 2.492 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.843 10.391 1.868 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.583 9.919 1.235 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.834 10.414 0.927 1.00 0.00 C ATOM 369 OH TYR A 28 -4.077 10.931 -0.325 1.00 0.00 O ATOM 0 H TYR A 28 -4.602 7.074 6.398 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.054 6.871 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.793 9.222 5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.084 9.115 5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.384 9.858 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.363 9.015 2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.822 10.776 1.624 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.796 9.937 0.496 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.262 10.874 -0.866 1.00 0.00 H new ATOM 378 N ILE A 29 -0.975 6.239 5.094 1.00 0.00 N ATOM 379 CA ILE A 29 0.177 5.686 5.796 1.00 0.00 C ATOM 380 C ILE A 29 1.483 6.166 5.172 1.00 0.00 C ATOM 381 O ILE A 29 1.546 6.444 3.975 1.00 0.00 O ATOM 382 CB ILE A 29 0.154 4.146 5.790 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.229 3.618 4.356 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.099 3.633 6.484 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.393 2.117 4.271 1.00 0.00 C ATOM 0 H ILE A 29 -0.899 6.218 4.077 1.00 0.00 H new ATOM 0 HA ILE A 29 0.118 6.038 6.826 1.00 0.00 H new ATOM 0 HB ILE A 29 1.024 3.782 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.677 3.907 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.065 4.096 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.101 2.543 6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.113 3.984 7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.981 4.003 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.439 1.815 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.314 1.823 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.455 1.630 4.753 1.00 0.00 H new ATOM 396 N SER A 30 2.526 6.259 5.992 1.00 0.00 N ATOM 397 CA SER A 30 3.831 6.707 5.523 1.00 0.00 C ATOM 398 C SER A 30 4.609 5.553 4.897 1.00 0.00 C ATOM 399 O SER A 30 4.261 4.386 5.077 1.00 0.00 O ATOM 400 CB SER A 30 4.632 7.312 6.677 1.00 0.00 C ATOM 401 OG SER A 30 5.985 7.513 6.308 1.00 0.00 O ATOM 0 H SER A 30 2.491 6.030 6.985 1.00 0.00 H new ATOM 0 HA SER A 30 3.673 7.471 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.188 8.262 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.582 6.653 7.543 1.00 0.00 H new ATOM 0 HG SER A 30 6.475 7.902 7.062 1.00 0.00 H new ATOM 406 N PHE A 31 5.664 5.888 4.162 1.00 0.00 N ATOM 407 CA PHE A 31 6.492 4.881 3.510 1.00 0.00 C ATOM 408 C PHE A 31 6.810 3.736 4.466 1.00 0.00 C ATOM 409 O PHE A 31 6.512 2.576 4.184 1.00 0.00 O ATOM 410 CB PHE A 31 7.790 5.511 2.999 1.00 0.00 C ATOM 411 CG PHE A 31 7.784 5.783 1.522 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.996 6.793 0.994 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.564 5.027 0.662 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.989 7.047 -0.365 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.560 5.276 -0.698 1.00 0.00 C ATOM 416 CZ PHE A 31 7.771 6.286 -1.212 1.00 0.00 C ATOM 0 H PHE A 31 5.966 6.849 4.003 1.00 0.00 H new ATOM 0 HA PHE A 31 5.934 4.479 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.965 6.446 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.623 4.849 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.380 7.389 1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.182 4.235 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.373 7.839 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.174 4.681 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.765 6.481 -2.274 1.00 0.00 H new ATOM 425 N ASN A 32 7.420 4.071 5.599 1.00 0.00 N ATOM 426 CA ASN A 32 7.782 3.071 6.597 1.00 0.00 C ATOM 427 C ASN A 32 6.568 2.236 6.994 1.00 0.00 C ATOM 428 O ASN A 32 6.640 1.009 7.056 1.00 0.00 O ATOM 429 CB ASN A 32 8.376 3.747 7.834 1.00 0.00 C ATOM 430 CG ASN A 32 9.579 4.608 7.500 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.561 4.129 6.933 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.506 5.887 7.851 1.00 0.00 N ATOM 0 H ASN A 32 7.674 5.027 5.848 1.00 0.00 H new ATOM 0 HA ASN A 32 8.529 2.409 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.613 4.363 8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.667 2.985 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.284 6.516 7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.672 6.240 8.319 1.00 0.00 H new ATOM 438 N GLU A 33 5.454 2.911 7.262 1.00 0.00 N ATOM 439 CA GLU A 33 4.225 2.230 7.653 1.00 0.00 C ATOM 440 C GLU A 33 3.768 1.263 6.565 1.00 0.00 C ATOM 441 O GLU A 33 3.292 0.164 6.855 1.00 0.00 O ATOM 442 CB GLU A 33 3.120 3.250 7.939 1.00 0.00 C ATOM 443 CG GLU A 33 3.492 4.267 9.005 1.00 0.00 C ATOM 444 CD GLU A 33 4.598 3.776 9.919 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.700 4.363 9.882 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.362 2.807 10.670 1.00 0.00 O ATOM 0 H GLU A 33 5.377 3.927 7.216 1.00 0.00 H new ATOM 0 HA GLU A 33 4.429 1.660 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.875 3.776 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.220 2.720 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.807 5.193 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.610 4.502 9.601 1.00 0.00 H new ATOM 451 N LEU A 34 3.918 1.677 5.312 1.00 0.00 N ATOM 452 CA LEU A 34 3.522 0.847 4.179 1.00 0.00 C ATOM 453 C LEU A 34 4.244 -0.496 4.209 1.00 0.00 C ATOM 454 O LEU A 34 3.618 -1.545 4.344 1.00 0.00 O ATOM 455 CB LEU A 34 3.818 1.571 2.864 1.00 0.00 C ATOM 456 CG LEU A 34 3.982 0.681 1.631 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.687 -0.054 1.327 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.424 1.508 0.432 1.00 0.00 C ATOM 0 H LEU A 34 4.311 2.582 5.054 1.00 0.00 H new ATOM 0 HA LEU A 34 2.450 0.663 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.011 2.279 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.730 2.154 2.991 1.00 0.00 H new ATOM 0 HG LEU A 34 4.754 -0.059 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.823 -0.682 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.414 -0.677 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.894 0.669 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.536 0.859 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.675 2.271 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.378 1.987 0.652 1.00 0.00 H new ATOM 469 N ASN A 35 5.567 -0.453 4.082 1.00 0.00 N ATOM 470 CA ASN A 35 6.376 -1.666 4.095 1.00 0.00 C ATOM 471 C ASN A 35 5.983 -2.568 5.262 1.00 0.00 C ATOM 472 O ASN A 35 5.772 -3.769 5.087 1.00 0.00 O ATOM 473 CB ASN A 35 7.861 -1.313 4.187 1.00 0.00 C ATOM 474 CG ASN A 35 8.749 -2.543 4.194 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.641 -3.394 5.077 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.632 -2.641 3.208 1.00 0.00 N ATOM 0 H ASN A 35 6.101 0.409 3.969 1.00 0.00 H new ATOM 0 HA ASN A 35 6.195 -2.204 3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.133 -0.677 3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.039 -0.735 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.256 -3.446 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.686 -1.911 2.497 1.00 0.00 H new ATOM 482 N ASP A 36 5.887 -1.983 6.449 1.00 0.00 N ATOM 483 CA ASP A 36 5.518 -2.731 7.645 1.00 0.00 C ATOM 484 C ASP A 36 4.117 -3.319 7.507 1.00 0.00 C ATOM 485 O ASP A 36 3.848 -4.425 7.978 1.00 0.00 O ATOM 486 CB ASP A 36 5.588 -1.831 8.879 1.00 0.00 C ATOM 487 CG ASP A 36 6.904 -1.084 8.977 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.882 -1.517 8.333 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.954 -0.066 9.698 1.00 0.00 O ATOM 0 H ASP A 36 6.060 -0.991 6.610 1.00 0.00 H new ATOM 0 HA ASP A 36 6.227 -3.551 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.768 -1.114 8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.450 -2.436 9.775 1.00 0.00 H new ATOM 493 N LEU A 37 3.229 -2.573 6.860 1.00 0.00 N ATOM 494 CA LEU A 37 1.855 -3.020 6.661 1.00 0.00 C ATOM 495 C LEU A 37 1.800 -4.200 5.697 1.00 0.00 C ATOM 496 O LEU A 37 0.992 -5.114 5.862 1.00 0.00 O ATOM 497 CB LEU A 37 0.997 -1.870 6.128 1.00 0.00 C ATOM 498 CG LEU A 37 -0.141 -2.265 5.184 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.105 -3.213 5.878 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.872 -1.027 4.685 1.00 0.00 C ATOM 0 H LEU A 37 3.436 -1.656 6.464 1.00 0.00 H new ATOM 0 HA LEU A 37 1.461 -3.344 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.570 -1.338 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.648 -1.168 5.607 1.00 0.00 H new ATOM 0 HG LEU A 37 0.287 -2.781 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.907 -3.483 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.572 -4.113 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.528 -2.724 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.678 -1.326 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.288 -0.483 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.174 -0.384 4.149 1.00 0.00 H new ATOM 511 N PHE A 38 2.667 -4.176 4.690 1.00 0.00 N ATOM 512 CA PHE A 38 2.718 -5.246 3.700 1.00 0.00 C ATOM 513 C PHE A 38 3.078 -6.577 4.355 1.00 0.00 C ATOM 514 O PHE A 38 2.416 -7.590 4.131 1.00 0.00 O ATOM 515 CB PHE A 38 3.737 -4.910 2.609 1.00 0.00 C ATOM 516 CG PHE A 38 3.121 -4.719 1.252 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.970 -5.792 0.389 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.694 -3.468 0.840 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.403 -5.620 -0.860 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.126 -3.289 -0.407 1.00 0.00 C ATOM 521 CZ PHE A 38 1.982 -4.367 -1.259 1.00 0.00 C ATOM 0 H PHE A 38 3.343 -3.428 4.538 1.00 0.00 H new ATOM 0 HA PHE A 38 1.730 -5.339 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.270 -4.001 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.476 -5.709 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.299 -6.774 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.806 -2.622 1.501 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.289 -6.465 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.795 -2.308 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.541 -4.230 -2.235 1.00 0.00 H new ATOM 530 N LYS A 39 4.131 -6.565 5.165 1.00 0.00 N ATOM 531 CA LYS A 39 4.579 -7.770 5.855 1.00 0.00 C ATOM 532 C LYS A 39 3.646 -8.114 7.011 1.00 0.00 C ATOM 533 O LYS A 39 3.369 -9.285 7.269 1.00 0.00 O ATOM 534 CB LYS A 39 6.007 -7.582 6.375 1.00 0.00 C ATOM 535 CG LYS A 39 6.931 -6.902 5.381 1.00 0.00 C ATOM 536 CD LYS A 39 8.332 -6.736 5.946 1.00 0.00 C ATOM 537 CE LYS A 39 8.325 -5.900 7.217 1.00 0.00 C ATOM 538 NZ LYS A 39 9.596 -5.145 7.392 1.00 0.00 N ATOM 0 H LYS A 39 4.690 -5.735 5.360 1.00 0.00 H new ATOM 0 HA LYS A 39 4.563 -8.595 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.976 -6.993 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.421 -8.556 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.975 -7.489 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.526 -5.925 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.759 -7.716 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.972 -6.263 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.489 -5.201 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.167 -6.550 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.637 -4.753 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.403 -5.784 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.637 -4.369 6.701 1.00 0.00 H new ATOM 548 N ALA A 40 3.164 -7.087 7.702 1.00 0.00 N ATOM 549 CA ALA A 40 2.260 -7.281 8.830 1.00 0.00 C ATOM 550 C ALA A 40 0.949 -7.916 8.377 1.00 0.00 C ATOM 551 O ALA A 40 0.291 -8.618 9.145 1.00 0.00 O ATOM 552 CB ALA A 40 1.993 -5.956 9.528 1.00 0.00 C ATOM 0 H ALA A 40 3.384 -6.112 7.501 1.00 0.00 H new ATOM 0 HA ALA A 40 2.739 -7.959 9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.317 -6.117 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.933 -5.541 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.538 -5.259 8.824 1.00 0.00 H new ATOM 558 N ALA A 41 0.574 -7.664 7.127 1.00 0.00 N ATOM 559 CA ALA A 41 -0.657 -8.212 6.573 1.00 0.00 C ATOM 560 C ALA A 41 -0.421 -9.595 5.974 1.00 0.00 C ATOM 561 O ALA A 41 -1.287 -10.139 5.286 1.00 0.00 O ATOM 562 CB ALA A 41 -1.229 -7.271 5.525 1.00 0.00 C ATOM 0 H ALA A 41 1.106 -7.083 6.479 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.378 -8.314 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.148 -7.693 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.444 -6.305 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.505 -7.139 4.721 1.00 0.00 H new ATOM 568 N CYS A 42 0.752 -10.157 6.238 1.00 0.00 N ATOM 569 CA CYS A 42 1.102 -11.477 5.723 1.00 0.00 C ATOM 570 C CYS A 42 0.863 -11.553 4.219 1.00 0.00 C ATOM 571 O CYS A 42 0.145 -12.431 3.737 1.00 0.00 O ATOM 572 CB CYS A 42 0.289 -12.557 6.437 1.00 0.00 C ATOM 573 SG CYS A 42 1.033 -14.204 6.374 1.00 0.00 S ATOM 0 H CYS A 42 1.478 -9.720 6.806 1.00 0.00 H new ATOM 0 HA CYS A 42 2.162 -11.646 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.159 -12.269 7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.705 -12.602 5.992 1.00 0.00 H new ATOM 0 HG CYS A 42 0.273 -15.048 7.007 1.00 0.00 H new ATOM 578 N LEU A 43 1.467 -10.628 3.482 1.00 0.00 N ATOM 579 CA LEU A 43 1.319 -10.590 2.030 1.00 0.00 C ATOM 580 C LEU A 43 2.378 -11.453 1.352 1.00 0.00 C ATOM 581 O LEU A 43 3.404 -11.796 1.939 1.00 0.00 O ATOM 582 CB LEU A 43 1.420 -9.149 1.526 1.00 0.00 C ATOM 583 CG LEU A 43 0.111 -8.359 1.488 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.908 -8.966 2.439 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.360 -6.898 1.833 1.00 0.00 C ATOM 0 H LEU A 43 2.064 -9.894 3.865 1.00 0.00 H new ATOM 0 HA LEU A 43 0.336 -10.989 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.127 -8.612 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.841 -9.165 0.521 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.292 -8.410 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.832 -8.390 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.109 -9.997 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.514 -8.947 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.582 -6.351 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.787 -6.828 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.054 -6.467 1.112 1.00 0.00 H new ATOM 596 N PRO A 44 2.126 -11.812 0.084 1.00 0.00 N ATOM 597 CA PRO A 44 3.047 -12.637 -0.703 1.00 0.00 C ATOM 598 C PRO A 44 4.327 -11.893 -1.065 1.00 0.00 C ATOM 599 O PRO A 44 5.431 -12.403 -0.868 1.00 0.00 O ATOM 600 CB PRO A 44 2.243 -12.962 -1.964 1.00 0.00 C ATOM 601 CG PRO A 44 1.262 -11.847 -2.086 1.00 0.00 C ATOM 602 CD PRO A 44 0.922 -11.438 -0.679 1.00 0.00 C ATOM 0 HA PRO A 44 3.377 -13.518 -0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.888 -13.019 -2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.739 -13.925 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.687 -11.012 -2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.371 -12.169 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.717 -10.370 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.036 -11.957 -0.312 1.00 0.00 H new ATOM 607 N LEU A 45 4.174 -10.684 -1.594 1.00 0.00 N ATOM 608 CA LEU A 45 5.319 -9.868 -1.983 1.00 0.00 C ATOM 609 C LEU A 45 6.316 -9.746 -0.835 1.00 0.00 C ATOM 610 O LEU A 45 5.945 -9.605 0.330 1.00 0.00 O ATOM 611 CB LEU A 45 4.854 -8.477 -2.420 1.00 0.00 C ATOM 612 CG LEU A 45 3.939 -8.429 -3.643 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.273 -7.229 -4.514 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.049 -9.719 -4.443 1.00 0.00 C ATOM 0 H LEU A 45 3.268 -10.247 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 45 5.816 -10.358 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.334 -8.010 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.735 -7.869 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 45 2.910 -8.326 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.611 -7.212 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.141 -6.313 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.308 -7.300 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.390 -9.667 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.078 -9.854 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.757 -10.562 -3.816 1.00 0.00 H new ATOM 625 N PRO A 46 7.614 -9.801 -1.170 1.00 0.00 N ATOM 626 CA PRO A 46 8.692 -9.697 -0.181 1.00 0.00 C ATOM 627 C PRO A 46 8.802 -8.295 0.409 1.00 0.00 C ATOM 628 O PRO A 46 7.915 -7.462 0.229 1.00 0.00 O ATOM 629 CB PRO A 46 9.947 -10.037 -0.988 1.00 0.00 C ATOM 630 CG PRO A 46 9.599 -9.689 -2.394 1.00 0.00 C ATOM 631 CD PRO A 46 8.129 -9.969 -2.539 1.00 0.00 C ATOM 0 HA PRO A 46 8.527 -10.354 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.808 -9.466 -0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.205 -11.092 -0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.819 -8.642 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.181 -10.284 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.655 -9.277 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.947 -10.975 -2.916 1.00 0.00 H new ATOM 636 N GLY A 47 9.899 -8.041 1.117 1.00 0.00 N ATOM 637 CA GLY A 47 10.105 -6.738 1.724 1.00 0.00 C ATOM 638 C GLY A 47 10.672 -5.727 0.746 1.00 0.00 C ATOM 639 O GLY A 47 10.260 -4.566 0.734 1.00 0.00 O ATOM 0 H GLY A 47 10.648 -8.714 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.157 -6.369 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.782 -6.838 2.572 1.00 0.00 H new ATOM 643 N TYR A 48 11.619 -6.166 -0.073 1.00 0.00 N ATOM 644 CA TYR A 48 12.246 -5.290 -1.056 1.00 0.00 C ATOM 645 C TYR A 48 11.253 -4.890 -2.142 1.00 0.00 C ATOM 646 O TYR A 48 11.227 -3.740 -2.583 1.00 0.00 O ATOM 647 CB TYR A 48 13.458 -5.980 -1.686 1.00 0.00 C ATOM 648 CG TYR A 48 13.113 -7.251 -2.428 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.808 -7.225 -3.783 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.092 -8.477 -1.775 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.490 -8.383 -4.466 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.777 -9.640 -2.450 1.00 0.00 C ATOM 653 CZ TYR A 48 12.477 -9.588 -3.796 1.00 0.00 C ATOM 654 OH TYR A 48 12.163 -10.745 -4.471 1.00 0.00 O ATOM 0 H TYR A 48 11.970 -7.124 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 48 12.577 -4.388 -0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.943 -5.288 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.181 -6.211 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.820 -6.283 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.326 -8.521 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.253 -8.345 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.766 -10.585 -1.927 1.00 0.00 H new ATOM 0 HH TYR A 48 12.201 -11.505 -3.853 1.00 0.00 H new ATOM 663 N ARG A 49 10.438 -5.847 -2.571 1.00 0.00 N ATOM 664 CA ARG A 49 9.442 -5.597 -3.606 1.00 0.00 C ATOM 665 C ARG A 49 8.571 -4.398 -3.243 1.00 0.00 C ATOM 666 O ARG A 49 8.342 -3.512 -4.067 1.00 0.00 O ATOM 667 CB ARG A 49 8.566 -6.834 -3.810 1.00 0.00 C ATOM 668 CG ARG A 49 9.078 -7.771 -4.891 1.00 0.00 C ATOM 669 CD ARG A 49 8.361 -7.543 -6.213 1.00 0.00 C ATOM 670 NE ARG A 49 9.175 -6.775 -7.152 1.00 0.00 N ATOM 671 CZ ARG A 49 8.807 -6.514 -8.401 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.645 -6.959 -8.860 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.602 -5.809 -9.195 1.00 0.00 N ATOM 0 H ARG A 49 10.448 -6.804 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 49 9.967 -5.375 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.499 -7.380 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.556 -6.515 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.149 -7.621 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.939 -8.804 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.105 -8.505 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.424 -7.017 -6.031 1.00 0.00 H new ATOM 0 HE ARG A 49 10.075 -6.420 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.032 -7.503 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.365 -6.757 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.497 -5.467 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.318 -5.609 -10.154 1.00 0.00 H new ATOM 684 N VAL A 50 8.088 -4.377 -2.006 1.00 0.00 N ATOM 685 CA VAL A 50 7.243 -3.286 -1.534 1.00 0.00 C ATOM 686 C VAL A 50 8.018 -1.975 -1.475 1.00 0.00 C ATOM 687 O VAL A 50 7.634 -0.985 -2.097 1.00 0.00 O ATOM 688 CB VAL A 50 6.662 -3.589 -0.139 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.691 -2.497 0.284 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.981 -4.950 -0.130 1.00 0.00 C ATOM 0 H VAL A 50 8.267 -5.103 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 50 6.425 -3.189 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 50 7.482 -3.612 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.291 -2.728 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.212 -1.540 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.873 -2.439 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.576 -5.148 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.171 -4.957 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.707 -5.722 -0.386 1.00 0.00 H new ATOM 700 N ARG A 51 9.113 -1.975 -0.722 1.00 0.00 N ATOM 701 CA ARG A 51 9.944 -0.785 -0.581 1.00 0.00 C ATOM 702 C ARG A 51 10.317 -0.218 -1.946 1.00 0.00 C ATOM 703 O ARG A 51 10.277 0.994 -2.158 1.00 0.00 O ATOM 704 CB ARG A 51 11.212 -1.114 0.210 1.00 0.00 C ATOM 705 CG ARG A 51 12.277 -0.032 0.129 1.00 0.00 C ATOM 706 CD ARG A 51 12.916 0.222 1.486 1.00 0.00 C ATOM 707 NE ARG A 51 12.999 1.649 1.793 1.00 0.00 N ATOM 708 CZ ARG A 51 13.758 2.149 2.760 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.497 1.344 3.512 1.00 0.00 N ATOM 710 NH2 ARG A 51 13.781 3.458 2.978 1.00 0.00 N ATOM 0 H ARG A 51 9.446 -2.786 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 51 9.370 -0.033 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.947 -1.274 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.629 -2.051 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.044 -0.328 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.832 0.891 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.337 -0.282 2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.916 -0.211 1.503 1.00 0.00 H new ATOM 0 HE ARG A 51 12.443 2.296 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.483 0.337 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.079 1.732 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.215 4.081 2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.365 3.841 3.722 1.00 0.00 H new ATOM 721 N GLU A 52 10.681 -1.102 -2.871 1.00 0.00 N ATOM 722 CA GLU A 52 11.061 -0.688 -4.216 1.00 0.00 C ATOM 723 C GLU A 52 9.879 -0.056 -4.946 1.00 0.00 C ATOM 724 O GLU A 52 9.974 1.062 -5.452 1.00 0.00 O ATOM 725 CB GLU A 52 11.588 -1.883 -5.012 1.00 0.00 C ATOM 726 CG GLU A 52 12.490 -1.493 -6.170 1.00 0.00 C ATOM 727 CD GLU A 52 13.675 -2.426 -6.327 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.920 -2.888 -7.461 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.357 -2.695 -5.316 1.00 0.00 O ATOM 0 H GLU A 52 10.720 -2.109 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 52 11.851 0.057 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.138 -2.542 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.743 -2.453 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.910 -1.491 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.851 -0.476 -6.018 1.00 0.00 H new ATOM 734 N ILE A 53 8.767 -0.782 -4.997 1.00 0.00 N ATOM 735 CA ILE A 53 7.567 -0.295 -5.665 1.00 0.00 C ATOM 736 C ILE A 53 7.231 1.126 -5.222 1.00 0.00 C ATOM 737 O ILE A 53 6.852 1.969 -6.036 1.00 0.00 O ATOM 738 CB ILE A 53 6.357 -1.206 -5.387 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.537 -2.555 -6.086 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.071 -0.534 -5.841 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.800 -3.690 -5.408 1.00 0.00 C ATOM 0 H ILE A 53 8.673 -1.710 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 53 7.777 -0.301 -6.735 1.00 0.00 H new ATOM 0 HB ILE A 53 6.291 -1.380 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.190 -2.471 -7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.599 -2.795 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.226 -1.191 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.940 0.404 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.124 -0.332 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.973 -4.615 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.164 -3.801 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.732 -3.472 -5.391 1.00 0.00 H new ATOM 752 N THR A 54 7.373 1.385 -3.926 1.00 0.00 N ATOM 753 CA THR A 54 7.085 2.703 -3.375 1.00 0.00 C ATOM 754 C THR A 54 8.093 3.737 -3.865 1.00 0.00 C ATOM 755 O THR A 54 7.726 4.713 -4.518 1.00 0.00 O ATOM 756 CB THR A 54 7.096 2.683 -1.834 1.00 0.00 C ATOM 757 OG1 THR A 54 6.884 1.348 -1.361 1.00 0.00 O ATOM 758 CG2 THR A 54 6.020 3.601 -1.273 1.00 0.00 C ATOM 0 H THR A 54 7.686 0.699 -3.239 1.00 0.00 H new ATOM 0 HA THR A 54 6.089 2.978 -3.721 1.00 0.00 H new ATOM 0 HB THR A 54 8.069 3.039 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.202 1.274 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.047 3.570 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.199 4.621 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.042 3.270 -1.621 1.00 0.00 H new ATOM 766 N GLU A 55 9.364 3.514 -3.545 1.00 0.00 N ATOM 767 CA GLU A 55 10.424 4.428 -3.954 1.00 0.00 C ATOM 768 C GLU A 55 10.389 4.664 -5.461 1.00 0.00 C ATOM 769 O GLU A 55 10.820 5.708 -5.947 1.00 0.00 O ATOM 770 CB GLU A 55 11.791 3.873 -3.547 1.00 0.00 C ATOM 771 CG GLU A 55 12.554 4.774 -2.592 1.00 0.00 C ATOM 772 CD GLU A 55 13.968 5.058 -3.060 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.304 6.246 -3.247 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.739 4.092 -3.241 1.00 0.00 O ATOM 0 H GLU A 55 9.684 2.710 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 55 10.260 5.381 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.653 2.897 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.391 3.716 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.017 5.716 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.588 4.307 -1.608 1.00 0.00 H new ATOM 779 N ASN A 56 9.870 3.684 -6.196 1.00 0.00 N ATOM 780 CA ASN A 56 9.779 3.784 -7.647 1.00 0.00 C ATOM 781 C ASN A 56 8.488 4.482 -8.064 1.00 0.00 C ATOM 782 O ASN A 56 8.410 5.077 -9.140 1.00 0.00 O ATOM 783 CB ASN A 56 9.845 2.393 -8.280 1.00 0.00 C ATOM 784 CG ASN A 56 11.264 1.984 -8.629 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.959 2.680 -9.368 1.00 0.00 O ATOM 786 ND2 ASN A 56 11.700 0.848 -8.095 1.00 0.00 N ATOM 0 H ASN A 56 9.507 2.813 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 56 10.623 4.377 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.418 1.663 -7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.233 2.378 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.646 0.522 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.089 0.303 -7.487 1.00 0.00 H new ATOM 792 N LEU A 57 7.477 4.409 -7.205 1.00 0.00 N ATOM 793 CA LEU A 57 6.189 5.034 -7.483 1.00 0.00 C ATOM 794 C LEU A 57 6.322 6.553 -7.536 1.00 0.00 C ATOM 795 O LEU A 57 6.066 7.171 -8.569 1.00 0.00 O ATOM 796 CB LEU A 57 5.167 4.638 -6.416 1.00 0.00 C ATOM 797 CG LEU A 57 3.825 4.119 -6.933 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.969 2.699 -7.459 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.772 4.178 -5.835 1.00 0.00 C ATOM 0 H LEU A 57 7.525 3.923 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 57 5.845 4.683 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.611 3.870 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.979 5.504 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 57 3.502 4.758 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.004 2.346 -7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.692 2.685 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.315 2.047 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.823 3.805 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.089 3.562 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.649 5.209 -5.504 1.00 0.00 H new ATOM 810 N MET A 58 6.725 7.147 -6.418 1.00 0.00 N ATOM 811 CA MET A 58 6.896 8.592 -6.339 1.00 0.00 C ATOM 812 C MET A 58 8.164 9.031 -7.064 1.00 0.00 C ATOM 813 O MET A 58 8.367 10.218 -7.317 1.00 0.00 O ATOM 814 CB MET A 58 6.948 9.043 -4.878 1.00 0.00 C ATOM 815 CG MET A 58 7.938 8.257 -4.035 1.00 0.00 C ATOM 816 SD MET A 58 9.397 9.221 -3.597 1.00 0.00 S ATOM 817 CE MET A 58 9.552 8.830 -1.856 1.00 0.00 C ATOM 0 H MET A 58 6.939 6.649 -5.554 1.00 0.00 H new ATOM 0 HA MET A 58 6.040 9.060 -6.826 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.211 10.100 -4.842 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.954 8.947 -4.441 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.445 7.918 -3.124 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.247 7.366 -4.581 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.309 9.471 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.595 8.994 -1.360 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.846 7.787 -1.742 1.00 0.00 H new ATOM 825 N ALA A 59 9.015 8.065 -7.394 1.00 0.00 N ATOM 826 CA ALA A 59 10.263 8.352 -8.092 1.00 0.00 C ATOM 827 C ALA A 59 10.023 9.253 -9.297 1.00 0.00 C ATOM 828 O ALA A 59 10.920 9.976 -9.734 1.00 0.00 O ATOM 829 CB ALA A 59 10.936 7.058 -8.523 1.00 0.00 C ATOM 0 H ALA A 59 8.863 7.077 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 59 10.923 8.880 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.866 7.287 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.152 6.450 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.273 6.508 -9.191 1.00 0.00 H new ATOM 835 N THR A 60 8.808 9.206 -9.834 1.00 0.00 N ATOM 836 CA THR A 60 8.451 10.017 -10.991 1.00 0.00 C ATOM 837 C THR A 60 7.490 11.135 -10.604 1.00 0.00 C ATOM 838 O THR A 60 7.778 12.313 -10.810 1.00 0.00 O ATOM 839 CB THR A 60 7.807 9.162 -12.099 1.00 0.00 C ATOM 840 OG1 THR A 60 6.945 8.177 -11.519 1.00 0.00 O ATOM 841 CG2 THR A 60 8.872 8.479 -12.944 1.00 0.00 C ATOM 0 H THR A 60 8.054 8.614 -9.486 1.00 0.00 H new ATOM 0 HA THR A 60 9.376 10.452 -11.369 1.00 0.00 H new ATOM 0 HB THR A 60 7.223 9.820 -12.743 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.538 7.639 -12.230 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.393 7.881 -13.719 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.507 9.233 -13.408 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.480 7.832 -12.311 1.00 0.00 H new ATOM 849 N GLY A 61 6.346 10.757 -10.041 1.00 0.00 N ATOM 850 CA GLY A 61 5.360 11.740 -9.633 1.00 0.00 C ATOM 851 C GLY A 61 4.062 11.104 -9.176 1.00 0.00 C ATOM 852 O GLY A 61 2.977 11.577 -9.516 1.00 0.00 O ATOM 0 H GLY A 61 6.085 9.788 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.769 12.346 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.157 12.414 -10.465 1.00 0.00 H new ATOM 856 N ASP A 62 4.172 10.029 -8.403 1.00 0.00 N ATOM 857 CA ASP A 62 2.997 9.326 -7.900 1.00 0.00 C ATOM 858 C ASP A 62 2.549 9.907 -6.561 1.00 0.00 C ATOM 859 O ASP A 62 1.388 10.278 -6.391 1.00 0.00 O ATOM 860 CB ASP A 62 3.295 7.835 -7.749 1.00 0.00 C ATOM 861 CG ASP A 62 3.180 7.085 -9.063 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.343 6.162 -9.147 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.925 7.424 -10.005 1.00 0.00 O ATOM 0 H ASP A 62 5.062 9.625 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 62 2.189 9.455 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.300 7.707 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.605 7.401 -7.025 1.00 0.00 H new ATOM 867 N LEU A 63 3.479 9.980 -5.614 1.00 0.00 N ATOM 868 CA LEU A 63 3.180 10.514 -4.290 1.00 0.00 C ATOM 869 C LEU A 63 3.558 11.989 -4.200 1.00 0.00 C ATOM 870 O LEU A 63 3.896 12.489 -3.127 1.00 0.00 O ATOM 871 CB LEU A 63 3.926 9.718 -3.218 1.00 0.00 C ATOM 872 CG LEU A 63 3.656 8.214 -3.189 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.265 7.715 -4.572 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.877 7.462 -2.676 1.00 0.00 C ATOM 0 H LEU A 63 4.445 9.676 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 63 2.107 10.422 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.996 9.872 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.670 10.132 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 63 2.825 8.027 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.077 6.642 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.363 8.230 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.075 7.915 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.666 6.393 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.726 7.656 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.114 7.798 -1.667 1.00 0.00 H new ATOM 885 N ASP A 64 3.494 12.681 -5.331 1.00 0.00 N ATOM 886 CA ASP A 64 3.826 14.100 -5.381 1.00 0.00 C ATOM 887 C ASP A 64 2.785 14.927 -4.632 1.00 0.00 C ATOM 888 O ASP A 64 2.980 16.120 -4.395 1.00 0.00 O ATOM 889 CB ASP A 64 3.924 14.574 -6.832 1.00 0.00 C ATOM 890 CG ASP A 64 2.564 14.717 -7.486 1.00 0.00 C ATOM 891 OD1 ASP A 64 2.368 15.694 -8.240 1.00 0.00 O ATOM 892 OD2 ASP A 64 1.696 13.853 -7.246 1.00 0.00 O ATOM 0 H ASP A 64 3.215 12.282 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 64 4.793 14.239 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.442 15.532 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.526 13.867 -7.403 1.00 0.00 H new ATOM 896 N GLN A 65 1.681 14.286 -4.262 1.00 0.00 N ATOM 897 CA GLN A 65 0.610 14.963 -3.541 1.00 0.00 C ATOM 898 C GLN A 65 1.076 15.400 -2.156 1.00 0.00 C ATOM 899 O GLN A 65 0.560 16.364 -1.591 1.00 0.00 O ATOM 900 CB GLN A 65 -0.609 14.048 -3.417 1.00 0.00 C ATOM 901 CG GLN A 65 -0.548 13.112 -2.221 1.00 0.00 C ATOM 902 CD GLN A 65 0.390 11.942 -2.442 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.572 12.006 -2.100 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.131 10.865 -3.017 1.00 0.00 N ATOM 0 H GLN A 65 1.505 13.299 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 65 0.332 15.852 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.507 14.661 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.702 13.455 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.224 13.671 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.548 12.735 -2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.115 10.855 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.453 10.047 -3.192 1.00 0.00 H new ATOM 911 N ASP A 66 2.055 14.683 -1.614 1.00 0.00 N ATOM 912 CA ASP A 66 2.591 14.996 -0.294 1.00 0.00 C ATOM 913 C ASP A 66 3.705 14.024 0.084 1.00 0.00 C ATOM 914 O ASP A 66 4.611 14.366 0.842 1.00 0.00 O ATOM 915 CB ASP A 66 1.479 14.952 0.755 1.00 0.00 C ATOM 916 CG ASP A 66 1.081 16.333 1.234 1.00 0.00 C ATOM 917 OD1 ASP A 66 -0.063 16.750 0.958 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.913 16.998 1.887 1.00 0.00 O ATOM 0 H ASP A 66 2.493 13.882 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 66 3.008 16.003 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.607 14.451 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.810 14.357 1.606 1.00 0.00 H new ATOM 922 N GLY A 67 3.627 12.808 -0.448 1.00 0.00 N ATOM 923 CA GLY A 67 4.633 11.803 -0.154 1.00 0.00 C ATOM 924 C GLY A 67 4.074 10.636 0.634 1.00 0.00 C ATOM 925 O GLY A 67 4.716 9.591 0.748 1.00 0.00 O ATOM 0 H GLY A 67 2.885 12.501 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.059 11.436 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.446 12.261 0.409 1.00 0.00 H new ATOM 929 N ARG A 68 2.875 10.812 1.179 1.00 0.00 N ATOM 930 CA ARG A 68 2.231 9.765 1.963 1.00 0.00 C ATOM 931 C ARG A 68 1.753 8.629 1.063 1.00 0.00 C ATOM 932 O ARG A 68 2.088 8.579 -0.120 1.00 0.00 O ATOM 933 CB ARG A 68 1.050 10.339 2.748 1.00 0.00 C ATOM 934 CG ARG A 68 1.346 11.681 3.398 1.00 0.00 C ATOM 935 CD ARG A 68 0.184 12.151 4.259 1.00 0.00 C ATOM 936 NE ARG A 68 -1.055 12.262 3.494 1.00 0.00 N ATOM 937 CZ ARG A 68 -2.214 12.640 4.023 1.00 0.00 C ATOM 938 NH1 ARG A 68 -2.291 12.941 5.311 1.00 0.00 N ATOM 939 NH2 ARG A 68 -3.298 12.718 3.262 1.00 0.00 N ATOM 0 H ARG A 68 2.330 11.670 1.092 1.00 0.00 H new ATOM 0 HA ARG A 68 2.965 9.367 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.198 10.450 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.757 9.627 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.244 11.600 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.552 12.423 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.039 11.454 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.427 13.119 4.698 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.029 12.037 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.460 12.883 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.182 13.231 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.242 12.488 2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.187 13.008 3.669 1.00 0.00 H new ATOM 950 N ILE A 69 0.969 7.720 1.633 1.00 0.00 N ATOM 951 CA ILE A 69 0.445 6.586 0.881 1.00 0.00 C ATOM 952 C ILE A 69 -0.942 6.191 1.378 1.00 0.00 C ATOM 953 O ILE A 69 -1.085 5.602 2.448 1.00 0.00 O ATOM 954 CB ILE A 69 1.379 5.365 0.981 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.765 5.710 0.430 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.786 4.182 0.231 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.793 4.625 0.660 1.00 0.00 C ATOM 0 H ILE A 69 0.683 7.746 2.612 1.00 0.00 H new ATOM 0 HA ILE A 69 0.380 6.901 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 69 1.483 5.090 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.684 5.902 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.112 6.633 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.457 3.327 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.181 3.925 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.656 4.445 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.751 4.937 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.902 4.448 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.468 3.706 0.172 1.00 0.00 H new ATOM 968 N SER A 70 -1.962 6.521 0.591 1.00 0.00 N ATOM 969 CA SER A 70 -3.339 6.203 0.951 1.00 0.00 C ATOM 970 C SER A 70 -3.656 4.741 0.650 1.00 0.00 C ATOM 971 O SER A 70 -3.020 4.119 -0.202 1.00 0.00 O ATOM 972 CB SER A 70 -4.309 7.112 0.196 1.00 0.00 C ATOM 973 OG SER A 70 -5.473 6.404 -0.195 1.00 0.00 O ATOM 0 H SER A 70 -1.860 7.008 -0.299 1.00 0.00 H new ATOM 0 HA SER A 70 -3.455 6.369 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.588 7.956 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.816 7.523 -0.685 1.00 0.00 H new ATOM 0 HG SER A 70 -6.078 7.008 -0.675 1.00 0.00 H new ATOM 978 N PHE A 71 -4.642 4.198 1.356 1.00 0.00 N ATOM 979 CA PHE A 71 -5.044 2.809 1.166 1.00 0.00 C ATOM 980 C PHE A 71 -5.212 2.489 -0.316 1.00 0.00 C ATOM 981 O PHE A 71 -4.926 1.377 -0.758 1.00 0.00 O ATOM 982 CB PHE A 71 -6.349 2.527 1.913 1.00 0.00 C ATOM 983 CG PHE A 71 -6.656 1.064 2.050 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.637 0.142 2.226 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.965 0.609 2.005 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.917 -1.206 2.354 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.250 -0.737 2.133 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.225 -1.646 2.306 1.00 0.00 C ATOM 0 H PHE A 71 -5.178 4.699 2.065 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.258 2.171 1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.294 2.973 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.171 3.015 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.612 0.480 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.771 1.315 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.113 -1.914 2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.274 -1.078 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.446 -2.699 2.404 1.00 0.00 H new ATOM 997 N ASP A 72 -5.679 3.473 -1.077 1.00 0.00 N ATOM 998 CA ASP A 72 -5.886 3.297 -2.510 1.00 0.00 C ATOM 999 C ASP A 72 -4.592 2.876 -3.199 1.00 0.00 C ATOM 1000 O ASP A 72 -4.558 1.881 -3.921 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.412 4.592 -3.134 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.282 4.602 -4.644 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -5.356 5.265 -5.155 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.107 3.946 -5.314 1.00 0.00 O ATOM 0 H ASP A 72 -5.921 4.400 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.625 2.508 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.459 4.724 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.866 5.439 -2.720 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.530 3.643 -2.971 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.234 3.349 -3.571 1.00 0.00 C ATOM 1010 C GLU A 73 -1.762 1.949 -3.189 1.00 0.00 C ATOM 1011 O GLU A 73 -1.338 1.170 -4.044 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.198 4.386 -3.133 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.998 5.510 -4.136 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.881 6.709 -3.851 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.135 6.988 -2.660 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.318 7.368 -4.817 1.00 0.00 O ATOM 0 H GLU A 73 -3.542 4.471 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.346 3.392 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.505 4.813 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.244 3.886 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.046 5.821 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.208 5.139 -5.139 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.838 1.636 -1.901 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.417 0.331 -1.404 1.00 0.00 C ATOM 1023 C PHE A 74 -2.104 -0.791 -2.178 1.00 0.00 C ATOM 1024 O PHE A 74 -1.449 -1.717 -2.659 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.732 0.203 0.088 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.559 -1.191 0.620 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.531 -2.154 0.405 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.424 -1.537 1.336 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.374 -3.438 0.893 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.262 -2.819 1.826 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.239 -3.770 1.605 1.00 0.00 C ATOM 0 H PHE A 74 -2.187 2.268 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.340 0.244 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.085 0.879 0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.758 0.525 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.422 -1.899 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.342 -0.797 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.138 -4.180 0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.628 -3.077 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.115 -4.772 1.989 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.424 -0.703 -2.292 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.198 -1.709 -3.006 1.00 0.00 C ATOM 1042 C ILE A 75 -3.699 -1.873 -4.438 1.00 0.00 C ATOM 1043 O ILE A 75 -3.266 -2.954 -4.837 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.696 -1.352 -3.035 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.281 -1.400 -1.622 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.449 -2.299 -3.958 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.314 -2.791 -1.028 1.00 0.00 C ATOM 0 H ILE A 75 -3.980 0.056 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.067 -2.648 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.805 -0.338 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.694 -0.750 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.294 -0.999 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.506 -2.034 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.046 -2.220 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.335 -3.322 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.741 -2.749 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.925 -3.440 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.300 -3.188 -0.974 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.761 -0.792 -5.207 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.313 -0.812 -6.594 1.00 0.00 C ATOM 1060 C LYS A 76 -1.886 -1.342 -6.697 1.00 0.00 C ATOM 1061 O LYS A 76 -1.521 -1.982 -7.684 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.391 0.591 -7.199 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.670 0.596 -8.691 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.383 0.580 -9.500 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.562 1.263 -10.846 1.00 0.00 C ATOM 1066 NZ LYS A 76 -1.257 1.647 -11.451 1.00 0.00 N ATOM 0 H LYS A 76 -4.118 0.110 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.972 -1.478 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.173 1.154 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.451 1.111 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.275 -0.272 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.253 1.480 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.593 1.080 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.061 -0.450 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.094 0.596 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.181 2.152 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.422 2.110 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.760 2.304 -10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.676 0.796 -11.592 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.084 -1.074 -5.672 1.00 0.00 N ATOM 1077 CA ILE A 77 0.301 -1.526 -5.647 1.00 0.00 C ATOM 1078 C ILE A 77 0.384 -3.031 -5.419 1.00 0.00 C ATOM 1079 O ILE A 77 1.192 -3.721 -6.040 1.00 0.00 O ATOM 1080 CB ILE A 77 1.108 -0.807 -4.550 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.341 0.656 -4.934 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.434 -1.516 -4.317 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.527 1.571 -3.744 1.00 0.00 C ATOM 0 H ILE A 77 -1.370 -0.546 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 77 0.729 -1.284 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 77 0.536 -0.833 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.222 0.720 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.494 1.008 -5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.993 -0.996 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.247 -2.543 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.013 -1.517 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.687 2.592 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.637 1.537 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.391 1.245 -3.166 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.459 -3.535 -4.523 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.483 -4.960 -4.213 1.00 0.00 C ATOM 1096 C PHE A 78 -0.924 -5.774 -5.426 1.00 0.00 C ATOM 1097 O PHE A 78 -0.366 -6.834 -5.712 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.420 -5.231 -3.034 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.484 -6.680 -2.641 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.340 -7.462 -2.638 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -2.688 -7.259 -2.274 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.395 -8.794 -2.275 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -2.749 -8.591 -1.909 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.601 -9.360 -1.911 1.00 0.00 C ATOM 0 H PHE A 78 -1.134 -2.978 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 78 0.528 -5.264 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.091 -4.644 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.422 -4.887 -3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.606 -7.025 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.589 -6.663 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.504 -9.392 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.693 -9.030 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.647 -10.401 -1.629 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.928 -5.271 -6.136 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.445 -5.950 -7.319 1.00 0.00 C ATOM 1115 C HIS A 79 -1.489 -5.791 -8.498 1.00 0.00 C ATOM 1116 O HIS A 79 -1.344 -6.696 -9.319 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.823 -5.401 -7.687 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.934 -6.383 -7.479 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.395 -6.974 -6.352 1.00 0.00 N flip ATOM 1120 CD2 HIS A 79 -5.713 -6.867 -8.510 1.00 0.00 C flip ATOM 1121 CE1 HIS A 79 -6.433 -7.795 -6.718 1.00 0.00 C flip ATOM 1122 NE2 HIS A 79 -6.605 -7.712 -8.025 1.00 0.00 N flip ATOM 0 H HIS A 79 -2.400 -4.395 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.535 -7.011 -7.088 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.021 -4.510 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.814 -5.091 -8.732 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.610 -6.597 -9.551 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.014 -8.409 -6.046 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.307 -8.215 -8.568 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.839 -4.633 -8.574 1.00 0.00 N ATOM 1130 CA GLY A 80 0.093 -4.376 -9.656 1.00 0.00 C ATOM 1131 C GLY A 80 -0.543 -4.543 -11.022 1.00 0.00 C ATOM 1132 O GLY A 80 0.045 -5.146 -11.920 1.00 0.00 O ATOM 0 H GLY A 80 -0.941 -3.869 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.483 -3.363 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.942 -5.054 -9.569 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.750 -4.010 -11.179 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.468 -4.104 -12.446 1.00 0.00 C ATOM 1138 C LEU A 81 -3.197 -2.800 -12.757 1.00 0.00 C ATOM 1139 O LEU A 81 -3.923 -2.267 -11.917 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.466 -5.262 -12.404 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.866 -6.668 -12.440 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.603 -7.587 -11.479 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -2.903 -7.228 -13.854 1.00 0.00 C ATOM 0 H LEU A 81 -2.252 -3.509 -10.446 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.740 -4.289 -13.236 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.064 -5.167 -11.498 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.148 -5.158 -13.248 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.825 -6.607 -12.124 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.162 -8.583 -11.518 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.522 -7.194 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.654 -7.644 -11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.472 -8.229 -13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.936 -7.275 -14.200 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.328 -6.581 -14.517 1.00 0.00 H new ATOM 1154 N LYS A 82 -3.001 -2.293 -13.968 1.00 0.00 N ATOM 1155 CA LYS A 82 -3.641 -1.054 -14.393 1.00 0.00 C ATOM 1156 C LYS A 82 -5.149 -1.114 -14.163 1.00 0.00 C ATOM 1157 O LYS A 82 -5.680 -0.438 -13.282 1.00 0.00 O ATOM 1158 CB LYS A 82 -3.351 -0.785 -15.871 1.00 0.00 C ATOM 1159 CG LYS A 82 -1.943 -0.279 -16.131 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.836 0.401 -17.486 1.00 0.00 C ATOM 1161 CE LYS A 82 -2.569 1.733 -17.499 1.00 0.00 C ATOM 1162 NZ LYS A 82 -1.995 2.672 -18.504 1.00 0.00 N ATOM 0 H LYS A 82 -2.403 -2.722 -14.674 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.231 -0.240 -13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.509 -1.703 -16.437 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.066 -0.053 -16.246 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.657 0.422 -15.347 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.242 -1.112 -16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.786 0.559 -17.733 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.250 -0.251 -18.255 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.623 1.565 -17.719 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.518 2.185 -16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.522 3.568 -18.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.996 2.852 -18.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.066 2.252 -19.453 1.00 0.00 H new TER 1172 LYS A 82