USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 783 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 100 HIS : no HD1:sc= 0.516 K(o=1.1,f=-0.24) USER MOD Set 1.2: A 101 SER OG : rot 76:sc= 0.588 USER MOD Set 2.1: A 72 MET CE :methyl 165:sc= -0.0951 (180deg=-0.893) USER MOD Set 2.2: A 89 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0381 (180deg=-0.225) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -166:sc= -0.0486 (180deg=-0.354) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -49:sc= 0.452 USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.0292 (180deg=-0.334) USER MOD Single : A 20 ASN : amide:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.658 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 119:sc= 0.153 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -91:sc= 0.0512 USER MOD Single : A 44 TYR OH : rot 71:sc= 1.37 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc=-0.000575 (180deg=-0.0585) USER MOD Single : A 54 SER OG : rot 180:sc= -0.157 USER MOD Single : A 63 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 1.04 (180deg=0.998) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.711 (180deg=-1.34) USER MOD Single : A 88 GLN : amide:sc= 1.72 K(o=1.7,f=-4.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.104 USER MOD Single : A 99 HIS : no HD1:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.680 -17.040 -4.960 1.00 0.00 N ATOM 2 CA MET A 1 11.736 -15.930 -4.711 1.00 0.00 C ATOM 3 C MET A 1 10.978 -16.157 -3.409 1.00 0.00 C ATOM 4 O MET A 1 10.868 -17.290 -2.943 1.00 0.00 O ATOM 5 CB MET A 1 10.755 -15.768 -5.878 1.00 0.00 C ATOM 6 CG MET A 1 11.481 -15.389 -7.169 1.00 0.00 C ATOM 7 SD MET A 1 12.413 -13.839 -7.060 1.00 0.00 S ATOM 8 CE MET A 1 13.071 -13.781 -8.747 1.00 0.00 C ATOM 0 H1 MET A 1 13.632 -16.655 -5.128 1.00 0.00 H new ATOM 0 H2 MET A 1 12.702 -17.669 -4.132 1.00 0.00 H new ATOM 0 H3 MET A 1 12.372 -17.577 -5.795 1.00 0.00 H new ATOM 0 HA MET A 1 12.314 -15.010 -4.624 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.207 -16.699 -6.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.020 -15.001 -5.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.164 -16.194 -7.440 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.751 -15.307 -7.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.679 -12.884 -8.870 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.685 -14.663 -8.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.246 -13.760 -9.459 1.00 0.00 H new ATOM 18 N SER A 2 10.453 -15.079 -2.822 1.00 0.00 N ATOM 19 CA SER A 2 9.697 -15.133 -1.574 1.00 0.00 C ATOM 20 C SER A 2 8.733 -13.950 -1.484 1.00 0.00 C ATOM 21 O SER A 2 8.745 -13.069 -2.341 1.00 0.00 O ATOM 22 CB SER A 2 10.661 -15.116 -0.384 1.00 0.00 C ATOM 23 OG SER A 2 11.386 -13.905 -0.359 1.00 0.00 O ATOM 0 H SER A 2 10.543 -14.138 -3.205 1.00 0.00 H new ATOM 0 HA SER A 2 9.117 -16.056 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.104 -15.234 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.349 -15.959 -0.452 1.00 0.00 H new ATOM 0 HG SER A 2 11.997 -13.905 0.407 1.00 0.00 H new ATOM 29 N TYR A 3 7.898 -13.930 -0.441 1.00 0.00 N ATOM 30 CA TYR A 3 6.949 -12.846 -0.214 1.00 0.00 C ATOM 31 C TYR A 3 7.664 -11.527 0.083 1.00 0.00 C ATOM 32 O TYR A 3 7.078 -10.459 -0.081 1.00 0.00 O ATOM 33 CB TYR A 3 6.034 -13.222 0.953 1.00 0.00 C ATOM 34 CG TYR A 3 6.764 -13.524 2.248 1.00 0.00 C ATOM 35 CD1 TYR A 3 7.196 -12.478 3.076 1.00 0.00 C ATOM 36 CD2 TYR A 3 7.003 -14.855 2.616 1.00 0.00 C ATOM 37 CE1 TYR A 3 7.866 -12.758 4.278 1.00 0.00 C ATOM 38 CE2 TYR A 3 7.670 -15.145 3.816 1.00 0.00 C ATOM 39 CZ TYR A 3 8.102 -14.096 4.651 1.00 0.00 C ATOM 40 OH TYR A 3 8.755 -14.375 5.815 1.00 0.00 O ATOM 0 H TYR A 3 7.864 -14.665 0.266 1.00 0.00 H new ATOM 0 HA TYR A 3 6.361 -12.703 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.333 -12.406 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.444 -14.094 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.013 -11.453 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.673 -15.659 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.199 -11.951 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.852 -16.171 4.099 1.00 0.00 H new ATOM 0 HH TYR A 3 8.834 -15.346 5.921 1.00 0.00 H new ATOM 50 N GLY A 4 8.921 -11.601 0.523 1.00 0.00 N ATOM 51 CA GLY A 4 9.709 -10.437 0.884 1.00 0.00 C ATOM 52 C GLY A 4 10.464 -10.694 2.184 1.00 0.00 C ATOM 53 O GLY A 4 10.416 -11.800 2.730 1.00 0.00 O ATOM 0 H GLY A 4 9.420 -12.483 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.414 -10.204 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.059 -9.570 0.998 1.00 0.00 H new ATOM 57 N ARG A 5 11.163 -9.673 2.686 1.00 0.00 N ATOM 58 CA ARG A 5 11.907 -9.757 3.936 1.00 0.00 C ATOM 59 C ARG A 5 11.909 -8.393 4.631 1.00 0.00 C ATOM 60 O ARG A 5 11.733 -7.369 3.973 1.00 0.00 O ATOM 61 CB ARG A 5 13.354 -10.183 3.646 1.00 0.00 C ATOM 62 CG ARG A 5 13.491 -11.655 3.233 1.00 0.00 C ATOM 63 CD ARG A 5 13.054 -12.582 4.369 1.00 0.00 C ATOM 64 NE ARG A 5 13.324 -13.987 4.042 1.00 0.00 N ATOM 65 CZ ARG A 5 12.438 -14.837 3.520 1.00 0.00 C ATOM 66 NH1 ARG A 5 11.205 -14.443 3.207 1.00 0.00 N ATOM 67 NH2 ARG A 5 12.786 -16.102 3.307 1.00 0.00 N ATOM 0 H ARG A 5 11.226 -8.762 2.231 1.00 0.00 H new ATOM 0 HA ARG A 5 11.433 -10.493 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.757 -9.553 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.961 -10.006 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.885 -11.847 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.526 -11.867 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.580 -12.312 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.989 -12.449 4.561 1.00 0.00 H new ATOM 0 HE ARG A 5 14.262 -14.341 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.923 -13.476 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.543 -15.109 2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.727 -16.419 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.112 -16.756 2.908 1.00 0.00 H new ATOM 81 N PRO A 6 12.109 -8.382 5.959 1.00 0.00 N ATOM 82 CA PRO A 6 12.305 -7.185 6.766 1.00 0.00 C ATOM 83 C PRO A 6 13.345 -6.233 6.165 1.00 0.00 C ATOM 84 O PRO A 6 14.152 -6.643 5.329 1.00 0.00 O ATOM 85 CB PRO A 6 12.764 -7.699 8.134 1.00 0.00 C ATOM 86 CG PRO A 6 12.135 -9.086 8.225 1.00 0.00 C ATOM 87 CD PRO A 6 12.168 -9.576 6.780 1.00 0.00 C ATOM 0 HA PRO A 6 11.386 -6.601 6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.851 -7.746 8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.423 -7.050 8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.700 -9.743 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.117 -9.043 8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.076 -10.144 6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.326 -10.237 6.571 1.00 0.00 H new ATOM 95 N PRO A 7 13.341 -4.959 6.583 1.00 0.00 N ATOM 96 CA PRO A 7 14.280 -3.956 6.111 1.00 0.00 C ATOM 97 C PRO A 7 15.690 -4.258 6.615 1.00 0.00 C ATOM 98 O PRO A 7 15.862 -5.078 7.521 1.00 0.00 O ATOM 99 CB PRO A 7 13.759 -2.630 6.669 1.00 0.00 C ATOM 100 CG PRO A 7 13.025 -3.049 7.940 1.00 0.00 C ATOM 101 CD PRO A 7 12.417 -4.395 7.553 1.00 0.00 C ATOM 0 HA PRO A 7 14.348 -3.933 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.572 -1.937 6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.093 -2.131 5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.704 -3.141 8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.260 -2.326 8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.311 -5.045 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.422 -4.271 7.125 1.00 0.00 H new ATOM 109 N PRO A 8 16.709 -3.604 6.041 1.00 0.00 N ATOM 110 CA PRO A 8 18.097 -3.782 6.401 1.00 0.00 C ATOM 111 C PRO A 8 18.396 -2.933 7.640 1.00 0.00 C ATOM 112 O PRO A 8 17.561 -2.825 8.539 1.00 0.00 O ATOM 113 CB PRO A 8 18.857 -3.337 5.147 1.00 0.00 C ATOM 114 CG PRO A 8 18.019 -2.160 4.662 1.00 0.00 C ATOM 115 CD PRO A 8 16.597 -2.619 4.978 1.00 0.00 C ATOM 0 HA PRO A 8 18.380 -4.799 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 8 19.881 -3.041 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.913 -4.131 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.274 -1.237 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.159 -1.973 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.978 -1.778 5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.124 -3.051 4.096 1.00 0.00 H new ATOM 123 N ASP A 9 19.582 -2.332 7.698 1.00 0.00 N ATOM 124 CA ASP A 9 20.034 -1.576 8.859 1.00 0.00 C ATOM 125 C ASP A 9 19.433 -0.171 8.890 1.00 0.00 C ATOM 126 O ASP A 9 19.568 0.532 9.889 1.00 0.00 O ATOM 127 CB ASP A 9 21.558 -1.493 8.841 1.00 0.00 C ATOM 128 CG ASP A 9 22.192 -2.883 8.834 1.00 0.00 C ATOM 129 OD1 ASP A 9 22.254 -3.494 9.924 1.00 0.00 O ATOM 130 OD2 ASP A 9 22.605 -3.319 7.736 1.00 0.00 O ATOM 0 H ASP A 9 20.259 -2.357 6.935 1.00 0.00 H new ATOM 0 HA ASP A 9 19.698 -2.094 9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 9 21.883 -0.939 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 9 21.904 -0.938 9.713 1.00 0.00 H new ATOM 135 N VAL A 10 18.770 0.234 7.797 1.00 0.00 N ATOM 136 CA VAL A 10 18.085 1.515 7.627 1.00 0.00 C ATOM 137 C VAL A 10 18.877 2.718 8.139 1.00 0.00 C ATOM 138 O VAL A 10 18.293 3.730 8.526 1.00 0.00 O ATOM 139 CB VAL A 10 16.665 1.470 8.216 1.00 0.00 C ATOM 140 CG1 VAL A 10 15.853 0.361 7.555 1.00 0.00 C ATOM 141 CG2 VAL A 10 16.666 1.248 9.729 1.00 0.00 C ATOM 0 H VAL A 10 18.696 -0.356 6.968 1.00 0.00 H new ATOM 0 HA VAL A 10 18.003 1.667 6.551 1.00 0.00 H new ATOM 0 HB VAL A 10 16.214 2.442 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.850 0.341 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.788 0.547 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.340 -0.599 7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.639 1.224 10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 10 17.154 0.301 9.957 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.205 2.061 10.216 1.00 0.00 H new ATOM 151 N GLU A 11 20.209 2.629 8.148 1.00 0.00 N ATOM 152 CA GLU A 11 21.079 3.699 8.618 1.00 0.00 C ATOM 153 C GLU A 11 21.073 4.914 7.684 1.00 0.00 C ATOM 154 O GLU A 11 21.840 5.851 7.898 1.00 0.00 O ATOM 155 CB GLU A 11 22.506 3.163 8.768 1.00 0.00 C ATOM 156 CG GLU A 11 22.596 2.130 9.889 1.00 0.00 C ATOM 157 CD GLU A 11 24.043 1.678 10.094 1.00 0.00 C ATOM 158 OE1 GLU A 11 24.485 0.783 9.340 1.00 0.00 O ATOM 159 OE2 GLU A 11 24.696 2.232 11.005 1.00 0.00 O ATOM 0 H GLU A 11 20.714 1.804 7.826 1.00 0.00 H new ATOM 0 HA GLU A 11 20.697 4.036 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.828 2.713 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 11 23.187 3.988 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.208 2.556 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.972 1.270 9.648 1.00 0.00 H new ATOM 166 N GLY A 12 20.224 4.917 6.654 1.00 0.00 N ATOM 167 CA GLY A 12 20.172 5.997 5.682 1.00 0.00 C ATOM 168 C GLY A 12 18.797 6.117 5.027 1.00 0.00 C ATOM 169 O GLY A 12 18.677 6.695 3.946 1.00 0.00 O ATOM 0 H GLY A 12 19.555 4.168 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 12 20.422 6.938 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 12 20.926 5.828 4.913 1.00 0.00 H new ATOM 173 N MET A 13 17.760 5.569 5.668 1.00 0.00 N ATOM 174 CA MET A 13 16.402 5.600 5.147 1.00 0.00 C ATOM 175 C MET A 13 15.406 5.761 6.289 1.00 0.00 C ATOM 176 O MET A 13 15.693 5.374 7.420 1.00 0.00 O ATOM 177 CB MET A 13 16.102 4.289 4.417 1.00 0.00 C ATOM 178 CG MET A 13 17.070 4.040 3.257 1.00 0.00 C ATOM 179 SD MET A 13 16.719 2.539 2.303 1.00 0.00 S ATOM 180 CE MET A 13 16.985 1.278 3.576 1.00 0.00 C ATOM 0 H MET A 13 17.846 5.091 6.565 1.00 0.00 H new ATOM 0 HA MET A 13 16.311 6.441 4.460 1.00 0.00 H new ATOM 0 HB2 MET A 13 16.162 3.460 5.122 1.00 0.00 H new ATOM 0 HB3 MET A 13 15.080 4.312 4.037 1.00 0.00 H new ATOM 0 HG2 MET A 13 17.043 4.898 2.585 1.00 0.00 H new ATOM 0 HG3 MET A 13 18.084 3.977 3.652 1.00 0.00 H new ATOM 0 HE1 MET A 13 17.055 0.297 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 13 17.910 1.491 4.112 1.00 0.00 H new ATOM 0 HE3 MET A 13 16.150 1.286 4.276 1.00 0.00 H new ATOM 190 N THR A 14 14.238 6.329 5.981 1.00 0.00 N ATOM 191 CA THR A 14 13.161 6.482 6.953 1.00 0.00 C ATOM 192 C THR A 14 11.794 6.373 6.285 1.00 0.00 C ATOM 193 O THR A 14 10.846 5.883 6.901 1.00 0.00 O ATOM 194 CB THR A 14 13.279 7.839 7.668 1.00 0.00 C ATOM 195 OG1 THR A 14 14.528 7.936 8.322 1.00 0.00 O ATOM 196 CG2 THR A 14 12.176 8.012 8.716 1.00 0.00 C ATOM 0 H THR A 14 14.016 6.693 5.055 1.00 0.00 H new ATOM 0 HA THR A 14 13.254 5.677 7.682 1.00 0.00 H new ATOM 0 HB THR A 14 13.183 8.617 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.595 8.804 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.286 8.980 9.204 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.201 7.959 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.254 7.220 9.460 1.00 0.00 H new ATOM 203 N SER A 15 11.682 6.820 5.030 1.00 0.00 N ATOM 204 CA SER A 15 10.431 6.736 4.296 1.00 0.00 C ATOM 205 C SER A 15 10.103 5.292 3.967 1.00 0.00 C ATOM 206 O SER A 15 10.984 4.504 3.628 1.00 0.00 O ATOM 207 CB SER A 15 10.528 7.551 3.008 1.00 0.00 C ATOM 208 OG SER A 15 10.651 8.929 3.302 1.00 0.00 O ATOM 0 H SER A 15 12.449 7.243 4.507 1.00 0.00 H new ATOM 0 HA SER A 15 9.635 7.141 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.387 7.219 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.642 7.381 2.396 1.00 0.00 H new ATOM 0 HG SER A 15 9.963 9.188 3.950 1.00 0.00 H new ATOM 214 N LEU A 16 8.817 4.962 4.075 1.00 0.00 N ATOM 215 CA LEU A 16 8.305 3.662 3.661 1.00 0.00 C ATOM 216 C LEU A 16 7.670 3.830 2.290 1.00 0.00 C ATOM 217 O LEU A 16 7.334 4.952 1.931 1.00 0.00 O ATOM 218 CB LEU A 16 7.260 3.178 4.672 1.00 0.00 C ATOM 219 CG LEU A 16 6.816 1.726 4.444 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.961 0.758 4.740 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.630 1.404 5.349 1.00 0.00 C ATOM 0 H LEU A 16 8.105 5.588 4.451 1.00 0.00 H new ATOM 0 HA LEU A 16 9.107 2.926 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.669 3.271 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.387 3.829 4.621 1.00 0.00 H new ATOM 0 HG LEU A 16 6.524 1.613 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.625 -0.265 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.802 0.977 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.274 0.871 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.317 0.373 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.922 1.533 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.803 2.075 5.118 1.00 0.00 H new ATOM 233 N LYS A 17 7.517 2.720 1.563 1.00 0.00 N ATOM 234 CA LYS A 17 6.879 2.602 0.254 1.00 0.00 C ATOM 235 C LYS A 17 6.107 1.285 0.233 1.00 0.00 C ATOM 236 O LYS A 17 6.610 0.247 0.662 1.00 0.00 O ATOM 237 CB LYS A 17 7.960 2.653 -0.830 1.00 0.00 C ATOM 238 CG LYS A 17 7.605 1.982 -2.158 1.00 0.00 C ATOM 239 CD LYS A 17 6.487 2.716 -2.891 1.00 0.00 C ATOM 240 CE LYS A 17 6.051 1.972 -4.146 1.00 0.00 C ATOM 241 NZ LYS A 17 7.181 1.721 -5.064 1.00 0.00 N ATOM 0 H LYS A 17 7.860 1.820 1.899 1.00 0.00 H new ATOM 0 HA LYS A 17 6.184 3.419 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.202 3.698 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.863 2.185 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.490 1.944 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.301 0.952 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.633 2.836 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.825 3.717 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.596 1.023 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.286 2.551 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.971 2.135 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.044 2.155 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.325 0.696 -5.165 1.00 0.00 H new ATOM 255 N VAL A 18 4.876 1.321 -0.267 1.00 0.00 N ATOM 256 CA VAL A 18 4.043 0.122 -0.385 1.00 0.00 C ATOM 257 C VAL A 18 3.528 -0.026 -1.799 1.00 0.00 C ATOM 258 O VAL A 18 3.158 0.983 -2.400 1.00 0.00 O ATOM 259 CB VAL A 18 2.863 0.244 0.567 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.703 -0.665 0.156 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.344 -0.084 1.970 1.00 0.00 C ATOM 0 H VAL A 18 4.427 2.174 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 18 4.642 -0.754 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 18 2.480 1.264 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.881 -0.547 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.364 -0.393 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.036 -1.703 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.511 -0.002 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.737 -1.100 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.129 0.615 2.258 1.00 0.00 H new ATOM 271 N ASP A 19 3.522 -1.287 -2.264 1.00 0.00 N ATOM 272 CA ASP A 19 3.293 -1.731 -3.634 1.00 0.00 C ATOM 273 C ASP A 19 2.265 -2.869 -3.704 1.00 0.00 C ATOM 274 O ASP A 19 1.738 -3.313 -2.684 1.00 0.00 O ATOM 275 CB ASP A 19 4.615 -2.267 -4.205 1.00 0.00 C ATOM 276 CG ASP A 19 5.732 -1.240 -4.302 1.00 0.00 C ATOM 277 OD1 ASP A 19 6.402 -1.018 -3.270 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.907 -0.689 -5.411 1.00 0.00 O ATOM 0 H ASP A 19 3.691 -2.075 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 19 2.916 -0.879 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.955 -3.094 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.427 -2.673 -5.199 1.00 0.00 H new ATOM 283 N ASN A 20 2.006 -3.328 -4.933 1.00 0.00 N ATOM 284 CA ASN A 20 1.116 -4.423 -5.300 1.00 0.00 C ATOM 285 C ASN A 20 -0.359 -4.111 -5.053 1.00 0.00 C ATOM 286 O ASN A 20 -0.798 -4.003 -3.911 1.00 0.00 O ATOM 287 CB ASN A 20 1.547 -5.737 -4.662 1.00 0.00 C ATOM 288 CG ASN A 20 0.996 -6.914 -5.462 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.721 -6.804 -6.653 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.818 -8.059 -4.818 1.00 0.00 N ATOM 0 H ASN A 20 2.447 -2.911 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 20 1.209 -4.543 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.635 -5.792 -4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.188 -5.786 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.446 -8.870 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.053 -8.129 -3.828 1.00 0.00 H new ATOM 297 N LEU A 21 -1.116 -3.973 -6.149 1.00 0.00 N ATOM 298 CA LEU A 21 -2.537 -3.653 -6.126 1.00 0.00 C ATOM 299 C LEU A 21 -3.301 -4.518 -7.121 1.00 0.00 C ATOM 300 O LEU A 21 -2.697 -5.187 -7.955 1.00 0.00 O ATOM 301 CB LEU A 21 -2.748 -2.198 -6.550 1.00 0.00 C ATOM 302 CG LEU A 21 -1.846 -1.198 -5.838 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.143 0.170 -6.441 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.087 -1.165 -4.334 1.00 0.00 C ATOM 0 H LEU A 21 -0.744 -4.084 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.897 -3.828 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.582 -2.118 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.787 -1.926 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.804 -1.488 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.518 0.923 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.931 0.150 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.193 0.417 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.419 -0.437 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.122 -0.883 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.893 -2.151 -3.913 1.00 0.00 H new ATOM 316 N THR A 22 -4.635 -4.496 -7.024 1.00 0.00 N ATOM 317 CA THR A 22 -5.510 -5.251 -7.915 1.00 0.00 C ATOM 318 C THR A 22 -6.431 -4.324 -8.702 1.00 0.00 C ATOM 319 O THR A 22 -7.430 -4.798 -9.236 1.00 0.00 O ATOM 320 CB THR A 22 -6.315 -6.283 -7.115 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.957 -7.178 -7.994 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.353 -5.620 -6.207 1.00 0.00 C ATOM 0 H THR A 22 -5.135 -3.951 -6.322 1.00 0.00 H new ATOM 0 HA THR A 22 -4.890 -5.781 -8.638 1.00 0.00 H new ATOM 0 HB THR A 22 -5.614 -6.825 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.339 -6.680 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.900 -6.387 -5.659 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.850 -4.959 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.049 -5.041 -6.813 1.00 0.00 H new ATOM 329 N TYR A 23 -6.094 -3.026 -8.760 1.00 0.00 N ATOM 330 CA TYR A 23 -6.834 -1.976 -9.468 1.00 0.00 C ATOM 331 C TYR A 23 -7.970 -1.393 -8.630 1.00 0.00 C ATOM 332 O TYR A 23 -8.590 -0.403 -9.017 1.00 0.00 O ATOM 333 CB TYR A 23 -7.307 -2.453 -10.844 1.00 0.00 C ATOM 334 CG TYR A 23 -8.795 -2.348 -11.096 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.698 -3.181 -10.419 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.267 -1.406 -12.020 1.00 0.00 C ATOM 337 CE1 TYR A 23 -11.074 -3.082 -10.674 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.641 -1.299 -12.277 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.550 -2.139 -11.608 1.00 0.00 C ATOM 340 OH TYR A 23 -12.885 -2.040 -11.857 1.00 0.00 O ATOM 0 H TYR A 23 -5.261 -2.667 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.137 -1.155 -9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.786 -1.876 -11.608 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.008 -3.493 -10.971 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.333 -3.900 -9.700 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.571 -0.761 -12.535 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.768 -3.727 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.002 -0.571 -12.989 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.042 -1.341 -12.525 1.00 0.00 H new ATOM 350 N ARG A 24 -8.231 -2.013 -7.480 1.00 0.00 N ATOM 351 CA ARG A 24 -9.329 -1.626 -6.599 1.00 0.00 C ATOM 352 C ARG A 24 -8.893 -1.532 -5.135 1.00 0.00 C ATOM 353 O ARG A 24 -9.713 -1.243 -4.264 1.00 0.00 O ATOM 354 CB ARG A 24 -10.453 -2.638 -6.829 1.00 0.00 C ATOM 355 CG ARG A 24 -11.743 -2.291 -6.087 1.00 0.00 C ATOM 356 CD ARG A 24 -12.861 -3.231 -6.547 1.00 0.00 C ATOM 357 NE ARG A 24 -14.116 -2.932 -5.846 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.261 -3.591 -6.043 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.324 -4.601 -6.905 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.353 -3.238 -5.371 1.00 0.00 N ATOM 0 H ARG A 24 -7.684 -2.801 -7.133 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.680 -0.621 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.662 -2.701 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.114 -3.624 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.594 -2.384 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.020 -1.255 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.007 -3.130 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.572 -4.265 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.113 -2.173 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.492 -4.881 -7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.204 -5.096 -7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.315 -2.465 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.228 -3.740 -5.520 1.00 0.00 H new ATOM 374 N THR A 25 -7.611 -1.771 -4.846 1.00 0.00 N ATOM 375 CA THR A 25 -7.098 -1.653 -3.484 1.00 0.00 C ATOM 376 C THR A 25 -7.223 -0.213 -2.979 1.00 0.00 C ATOM 377 O THR A 25 -7.547 -0.006 -1.818 1.00 0.00 O ATOM 378 CB THR A 25 -5.648 -2.133 -3.442 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.614 -3.518 -3.694 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.015 -1.852 -2.084 1.00 0.00 C ATOM 0 H THR A 25 -6.913 -2.047 -5.537 1.00 0.00 H new ATOM 0 HA THR A 25 -7.693 -2.282 -2.821 1.00 0.00 H new ATOM 0 HB THR A 25 -5.082 -1.594 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.686 -3.832 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.983 -2.204 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.032 -0.780 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.576 -2.371 -1.307 1.00 0.00 H new ATOM 387 N SER A 26 -6.967 0.766 -3.856 1.00 0.00 N ATOM 388 CA SER A 26 -7.087 2.203 -3.612 1.00 0.00 C ATOM 389 C SER A 26 -6.279 2.747 -2.423 1.00 0.00 C ATOM 390 O SER A 26 -5.953 2.022 -1.485 1.00 0.00 O ATOM 391 CB SER A 26 -8.571 2.554 -3.477 1.00 0.00 C ATOM 392 OG SER A 26 -9.236 2.247 -4.685 1.00 0.00 O ATOM 0 H SER A 26 -6.654 0.562 -4.805 1.00 0.00 H new ATOM 0 HA SER A 26 -6.639 2.698 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.015 1.996 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.686 3.613 -3.244 1.00 0.00 H new ATOM 0 HG SER A 26 -10.187 2.469 -4.601 1.00 0.00 H new ATOM 398 N PRO A 27 -5.947 4.052 -2.453 1.00 0.00 N ATOM 399 CA PRO A 27 -5.205 4.731 -1.394 1.00 0.00 C ATOM 400 C PRO A 27 -6.008 4.824 -0.101 1.00 0.00 C ATOM 401 O PRO A 27 -5.427 4.931 0.976 1.00 0.00 O ATOM 402 CB PRO A 27 -4.907 6.127 -1.943 1.00 0.00 C ATOM 403 CG PRO A 27 -5.947 6.359 -3.033 1.00 0.00 C ATOM 404 CD PRO A 27 -6.272 4.956 -3.540 1.00 0.00 C ATOM 0 HA PRO A 27 -4.299 4.182 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.982 6.882 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.896 6.184 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.833 6.856 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.555 6.990 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.324 4.874 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.691 4.719 -4.431 1.00 0.00 H new ATOM 412 N ASP A 28 -7.337 4.786 -0.193 1.00 0.00 N ATOM 413 CA ASP A 28 -8.209 4.888 0.967 1.00 0.00 C ATOM 414 C ASP A 28 -8.072 3.672 1.876 1.00 0.00 C ATOM 415 O ASP A 28 -7.913 3.810 3.092 1.00 0.00 O ATOM 416 CB ASP A 28 -9.644 4.979 0.456 1.00 0.00 C ATOM 417 CG ASP A 28 -9.888 6.297 -0.274 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.160 7.300 0.422 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.802 6.292 -1.523 1.00 0.00 O ATOM 0 H ASP A 28 -7.836 4.683 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.936 5.767 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.847 4.145 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.337 4.890 1.293 1.00 0.00 H new ATOM 424 N THR A 29 -8.131 2.475 1.285 1.00 0.00 N ATOM 425 CA THR A 29 -8.065 1.247 2.060 1.00 0.00 C ATOM 426 C THR A 29 -6.674 1.143 2.654 1.00 0.00 C ATOM 427 O THR A 29 -6.513 0.782 3.817 1.00 0.00 O ATOM 428 CB THR A 29 -8.312 0.040 1.162 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.501 0.239 0.429 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.458 -1.228 1.998 1.00 0.00 C ATOM 0 H THR A 29 -8.224 2.337 0.279 1.00 0.00 H new ATOM 0 HA THR A 29 -8.825 1.264 2.841 1.00 0.00 H new ATOM 0 HB THR A 29 -7.463 -0.071 0.487 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.297 0.249 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.634 -2.079 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.545 -1.394 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.300 -1.118 2.682 1.00 0.00 H new ATOM 437 N LEU A 30 -5.657 1.467 1.851 1.00 0.00 N ATOM 438 CA LEU A 30 -4.280 1.425 2.303 1.00 0.00 C ATOM 439 C LEU A 30 -4.073 2.406 3.449 1.00 0.00 C ATOM 440 O LEU A 30 -3.244 2.161 4.320 1.00 0.00 O ATOM 441 CB LEU A 30 -3.362 1.810 1.142 1.00 0.00 C ATOM 442 CG LEU A 30 -3.428 0.812 -0.014 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.776 1.453 -1.232 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.690 -0.473 0.339 1.00 0.00 C ATOM 0 H LEU A 30 -5.771 1.762 0.881 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.048 0.418 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.637 2.800 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.335 1.876 1.502 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.469 0.561 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.811 0.758 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.312 2.366 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.738 1.694 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.750 -1.169 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.645 -0.246 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.147 -0.925 1.220 1.00 0.00 H new ATOM 456 N ARG A 31 -4.824 3.514 3.469 1.00 0.00 N ATOM 457 CA ARG A 31 -4.649 4.519 4.504 1.00 0.00 C ATOM 458 C ARG A 31 -4.921 3.909 5.867 1.00 0.00 C ATOM 459 O ARG A 31 -4.063 3.937 6.742 1.00 0.00 O ATOM 460 CB ARG A 31 -5.597 5.699 4.247 1.00 0.00 C ATOM 461 CG ARG A 31 -5.048 7.025 4.783 1.00 0.00 C ATOM 462 CD ARG A 31 -4.521 6.928 6.214 1.00 0.00 C ATOM 463 NE ARG A 31 -4.126 8.248 6.715 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.928 9.070 7.403 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.180 8.720 7.685 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.474 10.252 7.806 1.00 0.00 N ATOM 0 H ARG A 31 -5.549 3.729 2.785 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.622 4.883 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.775 5.790 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.561 5.494 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.245 7.368 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.835 7.778 4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.289 6.504 6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.667 6.251 6.247 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.174 8.562 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.539 7.816 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.781 9.355 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.517 10.531 7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.083 10.880 8.330 1.00 0.00 H new ATOM 480 N ARG A 32 -6.120 3.351 6.051 1.00 0.00 N ATOM 481 CA ARG A 32 -6.521 2.791 7.340 1.00 0.00 C ATOM 482 C ARG A 32 -5.971 1.380 7.561 1.00 0.00 C ATOM 483 O ARG A 32 -6.140 0.813 8.638 1.00 0.00 O ATOM 484 CB ARG A 32 -8.046 2.816 7.424 1.00 0.00 C ATOM 485 CG ARG A 32 -8.665 1.911 6.355 1.00 0.00 C ATOM 486 CD ARG A 32 -9.923 2.561 5.793 1.00 0.00 C ATOM 487 NE ARG A 32 -10.946 2.749 6.828 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.075 3.440 6.642 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.341 4.005 5.468 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.946 3.569 7.641 1.00 0.00 N ATOM 0 H ARG A 32 -6.829 3.276 5.322 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.095 3.401 8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.366 2.489 8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.405 3.837 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.947 1.735 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.908 0.939 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.669 3.525 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.326 1.942 4.992 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.786 2.328 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.680 3.914 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.206 4.530 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.751 3.141 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.808 4.096 7.501 1.00 0.00 H new ATOM 504 N VAL A 33 -5.313 0.811 6.553 1.00 0.00 N ATOM 505 CA VAL A 33 -4.640 -0.485 6.664 1.00 0.00 C ATOM 506 C VAL A 33 -3.191 -0.310 7.106 1.00 0.00 C ATOM 507 O VAL A 33 -2.559 -1.265 7.551 1.00 0.00 O ATOM 508 CB VAL A 33 -4.706 -1.179 5.306 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.656 -2.274 5.149 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.087 -1.813 5.165 1.00 0.00 C ATOM 0 H VAL A 33 -5.230 1.237 5.630 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.139 -1.093 7.418 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.515 -0.429 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.752 -2.731 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.661 -1.842 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.804 -3.033 5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.160 -2.316 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.238 -2.538 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.851 -1.038 5.228 1.00 0.00 H new ATOM 520 N PHE A 34 -2.654 0.902 6.992 1.00 0.00 N ATOM 521 CA PHE A 34 -1.259 1.161 7.311 1.00 0.00 C ATOM 522 C PHE A 34 -1.120 2.200 8.400 1.00 0.00 C ATOM 523 O PHE A 34 -0.246 2.071 9.256 1.00 0.00 O ATOM 524 CB PHE A 34 -0.555 1.617 6.038 1.00 0.00 C ATOM 525 CG PHE A 34 -0.038 0.478 5.201 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.137 -0.171 5.587 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.725 0.076 4.052 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.629 -1.236 4.824 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.234 -0.985 3.281 1.00 0.00 C ATOM 530 CZ PHE A 34 0.941 -1.648 3.676 1.00 0.00 C ATOM 0 H PHE A 34 -3.171 1.723 6.678 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.801 0.247 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.247 2.211 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.277 2.269 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.665 0.149 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.633 0.583 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.538 -1.739 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.756 -1.293 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.314 -2.477 3.093 1.00 0.00 H new ATOM 540 N GLU A 35 -1.958 3.235 8.397 1.00 0.00 N ATOM 541 CA GLU A 35 -1.859 4.242 9.433 1.00 0.00 C ATOM 542 C GLU A 35 -2.251 3.651 10.782 1.00 0.00 C ATOM 543 O GLU A 35 -1.939 4.221 11.827 1.00 0.00 O ATOM 544 CB GLU A 35 -2.710 5.471 9.097 1.00 0.00 C ATOM 545 CG GLU A 35 -4.186 5.334 9.481 1.00 0.00 C ATOM 546 CD GLU A 35 -4.447 5.658 10.953 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.955 6.712 11.414 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.141 4.848 11.608 1.00 0.00 O ATOM 0 H GLU A 35 -2.692 3.391 7.706 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.822 4.573 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.292 6.339 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.641 5.666 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.783 5.998 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.518 4.317 9.273 1.00 0.00 H new ATOM 555 N LYS A 36 -2.932 2.502 10.749 1.00 0.00 N ATOM 556 CA LYS A 36 -3.434 1.853 11.947 1.00 0.00 C ATOM 557 C LYS A 36 -2.306 1.484 12.896 1.00 0.00 C ATOM 558 O LYS A 36 -2.487 1.502 14.113 1.00 0.00 O ATOM 559 CB LYS A 36 -4.218 0.605 11.544 1.00 0.00 C ATOM 560 CG LYS A 36 -3.316 -0.450 10.886 1.00 0.00 C ATOM 561 CD LYS A 36 -4.124 -1.578 10.239 1.00 0.00 C ATOM 562 CE LYS A 36 -5.202 -2.120 11.172 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.808 -3.349 10.626 1.00 0.00 N ATOM 0 H LYS A 36 -3.147 2.001 9.887 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.087 2.549 12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.696 0.176 12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.014 0.884 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.692 0.028 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.644 -0.870 11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.588 -1.212 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.452 -2.387 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.769 -2.328 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.974 -1.364 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.538 -3.696 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.240 -3.142 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.073 -4.076 10.509 1.00 0.00 H new ATOM 577 N TYR A 37 -1.140 1.150 12.339 1.00 0.00 N ATOM 578 CA TYR A 37 0.006 0.793 13.151 1.00 0.00 C ATOM 579 C TYR A 37 0.646 2.023 13.782 1.00 0.00 C ATOM 580 O TYR A 37 1.361 1.910 14.776 1.00 0.00 O ATOM 581 CB TYR A 37 1.026 0.064 12.285 1.00 0.00 C ATOM 582 CG TYR A 37 0.492 -1.229 11.720 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.589 -2.407 12.472 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.105 -1.245 10.453 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.075 -3.608 11.965 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.612 -2.442 9.935 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.531 -3.627 10.694 1.00 0.00 C ATOM 588 OH TYR A 37 -1.044 -4.790 10.198 1.00 0.00 O ATOM 0 H TYR A 37 -0.973 1.122 11.333 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.332 0.143 13.958 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.332 0.715 11.466 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.917 -0.144 12.877 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.060 -2.389 13.444 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.174 -0.334 9.876 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.143 -4.515 12.547 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.065 -2.458 8.955 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.356 -5.255 9.677 1.00 0.00 H new ATOM 598 N GLY A 38 0.393 3.204 13.210 1.00 0.00 N ATOM 599 CA GLY A 38 0.871 4.456 13.779 1.00 0.00 C ATOM 600 C GLY A 38 0.331 5.655 13.012 1.00 0.00 C ATOM 601 O GLY A 38 -0.467 6.418 13.558 1.00 0.00 O ATOM 0 H GLY A 38 -0.143 3.313 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.566 4.523 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.961 4.472 13.763 1.00 0.00 H new ATOM 605 N ARG A 39 0.760 5.825 11.755 1.00 0.00 N ATOM 606 CA ARG A 39 0.271 6.897 10.894 1.00 0.00 C ATOM 607 C ARG A 39 0.729 6.679 9.460 1.00 0.00 C ATOM 608 O ARG A 39 1.589 5.843 9.195 1.00 0.00 O ATOM 609 CB ARG A 39 0.811 8.244 11.397 1.00 0.00 C ATOM 610 CG ARG A 39 -0.110 9.420 11.075 1.00 0.00 C ATOM 611 CD ARG A 39 -1.463 9.240 11.760 1.00 0.00 C ATOM 612 NE ARG A 39 -2.252 10.473 11.690 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.587 10.528 11.711 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.325 9.426 11.779 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.203 11.709 11.665 1.00 0.00 N ATOM 0 H ARG A 39 1.454 5.223 11.312 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.819 6.898 10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.957 8.190 12.476 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.790 8.425 10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.350 10.351 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.249 9.497 9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.010 8.426 11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.313 8.958 12.802 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.744 11.355 11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.874 8.512 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.343 9.494 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.656 12.568 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.222 11.754 11.681 1.00 0.00 H new ATOM 629 N VAL A 40 0.144 7.448 8.541 1.00 0.00 N ATOM 630 CA VAL A 40 0.503 7.437 7.134 1.00 0.00 C ATOM 631 C VAL A 40 0.713 8.874 6.687 1.00 0.00 C ATOM 632 O VAL A 40 -0.242 9.594 6.401 1.00 0.00 O ATOM 633 CB VAL A 40 -0.591 6.746 6.316 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.394 6.950 4.823 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.549 5.239 6.525 1.00 0.00 C ATOM 0 H VAL A 40 -0.604 8.105 8.763 1.00 0.00 H new ATOM 0 HA VAL A 40 1.424 6.876 6.977 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.532 7.182 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.191 6.444 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.418 8.016 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.569 6.537 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.335 4.768 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.421 4.855 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.703 5.014 7.580 1.00 0.00 H new ATOM 645 N GLY A 41 1.983 9.281 6.634 1.00 0.00 N ATOM 646 CA GLY A 41 2.371 10.612 6.200 1.00 0.00 C ATOM 647 C GLY A 41 1.967 10.878 4.747 1.00 0.00 C ATOM 648 O GLY A 41 1.758 12.032 4.377 1.00 0.00 O ATOM 0 H GLY A 41 2.771 8.688 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.906 11.355 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.450 10.728 6.304 1.00 0.00 H new ATOM 652 N ASP A 42 1.855 9.827 3.927 1.00 0.00 N ATOM 653 CA ASP A 42 1.480 9.939 2.526 1.00 0.00 C ATOM 654 C ASP A 42 0.867 8.624 2.064 1.00 0.00 C ATOM 655 O ASP A 42 1.311 7.554 2.472 1.00 0.00 O ATOM 656 CB ASP A 42 2.736 10.205 1.689 1.00 0.00 C ATOM 657 CG ASP A 42 3.156 11.667 1.698 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.330 12.515 1.296 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.311 11.931 2.112 1.00 0.00 O ATOM 0 H ASP A 42 2.026 8.867 4.228 1.00 0.00 H new ATOM 0 HA ASP A 42 0.764 10.752 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.555 9.595 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.555 9.891 0.661 1.00 0.00 H new ATOM 664 N VAL A 43 -0.152 8.692 1.206 1.00 0.00 N ATOM 665 CA VAL A 43 -0.758 7.498 0.636 1.00 0.00 C ATOM 666 C VAL A 43 -1.306 7.864 -0.740 1.00 0.00 C ATOM 667 O VAL A 43 -2.219 8.682 -0.858 1.00 0.00 O ATOM 668 CB VAL A 43 -1.813 6.931 1.607 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.248 7.350 1.311 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.742 5.411 1.695 1.00 0.00 C ATOM 0 H VAL A 43 -0.573 9.567 0.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.032 6.696 0.498 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.549 7.375 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.917 6.902 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.328 8.436 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.527 7.012 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.501 5.051 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.918 4.981 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.755 5.113 2.050 1.00 0.00 H new ATOM 680 N TYR A 44 -0.745 7.267 -1.792 1.00 0.00 N ATOM 681 CA TYR A 44 -1.233 7.513 -3.142 1.00 0.00 C ATOM 682 C TYR A 44 -0.888 6.360 -4.074 1.00 0.00 C ATOM 683 O TYR A 44 -0.102 5.483 -3.714 1.00 0.00 O ATOM 684 CB TYR A 44 -0.655 8.824 -3.676 1.00 0.00 C ATOM 685 CG TYR A 44 0.724 8.711 -4.284 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.876 8.846 -3.491 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.846 8.478 -5.659 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.146 8.781 -4.084 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.111 8.391 -6.256 1.00 0.00 C ATOM 690 CZ TYR A 44 3.270 8.557 -5.470 1.00 0.00 C ATOM 691 OH TYR A 44 4.501 8.507 -6.046 1.00 0.00 O ATOM 0 H TYR A 44 0.039 6.617 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.319 7.593 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.336 9.225 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.619 9.547 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.784 9.000 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.041 8.364 -6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.031 8.903 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.198 8.197 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 44 4.954 7.680 -5.778 1.00 0.00 H new ATOM 701 N ILE A 45 -1.476 6.367 -5.272 1.00 0.00 N ATOM 702 CA ILE A 45 -1.247 5.331 -6.264 1.00 0.00 C ATOM 703 C ILE A 45 -0.723 5.976 -7.551 1.00 0.00 C ATOM 704 O ILE A 45 -1.450 6.731 -8.199 1.00 0.00 O ATOM 705 CB ILE A 45 -2.544 4.544 -6.529 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.865 3.505 -5.449 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.392 3.759 -7.834 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.089 4.095 -4.064 1.00 0.00 C ATOM 0 H ILE A 45 -2.124 7.094 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.503 4.626 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.342 5.286 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.757 2.953 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.047 2.786 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.306 3.198 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.208 4.451 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.554 3.068 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.311 3.294 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.191 4.622 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.927 4.792 -4.096 1.00 0.00 H new ATOM 720 N PRO A 46 0.527 5.687 -7.927 1.00 0.00 N ATOM 721 CA PRO A 46 1.144 6.104 -9.180 1.00 0.00 C ATOM 722 C PRO A 46 0.555 5.319 -10.356 1.00 0.00 C ATOM 723 O PRO A 46 1.251 4.519 -10.984 1.00 0.00 O ATOM 724 CB PRO A 46 2.640 5.849 -8.996 1.00 0.00 C ATOM 725 CG PRO A 46 2.674 4.674 -8.033 1.00 0.00 C ATOM 726 CD PRO A 46 1.473 4.915 -7.133 1.00 0.00 C ATOM 0 HA PRO A 46 0.958 7.153 -9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.127 5.610 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.150 6.721 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.597 3.722 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.603 4.649 -7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.033 3.972 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.762 5.458 -6.233 1.00 0.00 H new ATOM 734 N ARG A 47 -0.730 5.553 -10.647 1.00 0.00 N ATOM 735 CA ARG A 47 -1.468 4.919 -11.733 1.00 0.00 C ATOM 736 C ARG A 47 -0.853 5.129 -13.118 1.00 0.00 C ATOM 737 O ARG A 47 0.247 5.657 -13.276 1.00 0.00 O ATOM 738 CB ARG A 47 -2.901 5.464 -11.729 1.00 0.00 C ATOM 739 CG ARG A 47 -3.906 4.413 -11.274 1.00 0.00 C ATOM 740 CD ARG A 47 -5.305 5.018 -11.344 1.00 0.00 C ATOM 741 NE ARG A 47 -5.674 5.296 -12.737 1.00 0.00 N ATOM 742 CZ ARG A 47 -6.769 5.946 -13.131 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.669 6.374 -12.250 1.00 0.00 N ATOM 744 NH2 ARG A 47 -6.964 6.164 -14.426 1.00 0.00 N ATOM 0 H ARG A 47 -1.298 6.211 -10.113 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.437 3.845 -11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.958 6.331 -11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.162 5.807 -12.730 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.843 3.529 -11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.683 4.091 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.027 4.333 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.339 5.939 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.040 4.964 -13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.527 6.207 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.501 6.870 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.280 5.835 -15.107 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.798 6.660 -14.740 1.00 0.00 H new ATOM 758 N ASP A 48 -1.616 4.684 -14.119 1.00 0.00 N ATOM 759 CA ASP A 48 -1.311 4.767 -15.536 1.00 0.00 C ATOM 760 C ASP A 48 -1.082 6.199 -16.030 1.00 0.00 C ATOM 761 O ASP A 48 -1.067 7.155 -15.252 1.00 0.00 O ATOM 762 CB ASP A 48 -2.495 4.173 -16.299 1.00 0.00 C ATOM 763 CG ASP A 48 -3.667 5.163 -16.316 1.00 0.00 C ATOM 764 OD1 ASP A 48 -4.388 5.246 -15.301 1.00 0.00 O ATOM 765 OD2 ASP A 48 -3.822 5.830 -17.362 1.00 0.00 O ATOM 0 H ASP A 48 -2.513 4.231 -13.945 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.382 4.223 -15.708 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.196 3.935 -17.320 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.806 3.239 -15.832 1.00 0.00 H new ATOM 770 N ARG A 49 -0.907 6.335 -17.351 1.00 0.00 N ATOM 771 CA ARG A 49 -0.790 7.627 -18.013 1.00 0.00 C ATOM 772 C ARG A 49 -1.530 7.633 -19.358 1.00 0.00 C ATOM 773 O ARG A 49 -1.564 8.659 -20.040 1.00 0.00 O ATOM 774 CB ARG A 49 0.694 7.967 -18.160 1.00 0.00 C ATOM 775 CG ARG A 49 0.878 9.417 -18.609 1.00 0.00 C ATOM 776 CD ARG A 49 2.320 9.834 -18.355 1.00 0.00 C ATOM 777 NE ARG A 49 2.549 11.225 -18.773 1.00 0.00 N ATOM 778 CZ ARG A 49 3.730 11.840 -18.705 1.00 0.00 C ATOM 779 NH1 ARG A 49 4.805 11.204 -18.246 1.00 0.00 N ATOM 780 NH2 ARG A 49 3.846 13.108 -19.100 1.00 0.00 N ATOM 0 H ARG A 49 -0.843 5.542 -17.989 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.266 8.399 -17.408 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.204 7.809 -17.210 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.155 7.296 -18.885 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.638 9.517 -19.668 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.196 10.070 -18.064 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.552 9.726 -17.295 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.995 9.172 -18.898 1.00 0.00 H new ATOM 0 HE ARG A 49 1.755 11.752 -19.137 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.732 10.234 -17.941 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.702 11.687 -18.200 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.031 13.608 -19.455 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.750 13.578 -19.048 1.00 0.00 H new ATOM 794 N TYR A 50 -2.120 6.499 -19.751 1.00 0.00 N ATOM 795 CA TYR A 50 -2.776 6.369 -21.041 1.00 0.00 C ATOM 796 C TYR A 50 -3.841 5.266 -21.072 1.00 0.00 C ATOM 797 O TYR A 50 -4.228 4.826 -22.152 1.00 0.00 O ATOM 798 CB TYR A 50 -1.703 6.102 -22.101 1.00 0.00 C ATOM 799 CG TYR A 50 -0.895 4.841 -21.880 1.00 0.00 C ATOM 800 CD1 TYR A 50 0.201 4.859 -21.003 1.00 0.00 C ATOM 801 CD2 TYR A 50 -1.236 3.661 -22.559 1.00 0.00 C ATOM 802 CE1 TYR A 50 0.951 3.693 -20.795 1.00 0.00 C ATOM 803 CE2 TYR A 50 -0.486 2.494 -22.354 1.00 0.00 C ATOM 804 CZ TYR A 50 0.607 2.503 -21.466 1.00 0.00 C ATOM 805 OH TYR A 50 1.329 1.367 -21.254 1.00 0.00 O ATOM 0 H TYR A 50 -2.152 5.654 -19.181 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.306 7.300 -21.244 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.183 6.043 -23.078 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.022 6.953 -22.132 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.466 5.771 -20.489 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.075 3.652 -23.239 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.794 3.707 -20.120 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.747 1.587 -22.878 1.00 0.00 H new ATOM 0 HH TYR A 50 0.958 0.638 -21.794 1.00 0.00 H new ATOM 815 N THR A 51 -4.323 4.806 -19.914 1.00 0.00 N ATOM 816 CA THR A 51 -5.277 3.698 -19.839 1.00 0.00 C ATOM 817 C THR A 51 -6.362 3.963 -18.793 1.00 0.00 C ATOM 818 O THR A 51 -6.508 5.085 -18.308 1.00 0.00 O ATOM 819 CB THR A 51 -4.551 2.383 -19.535 1.00 0.00 C ATOM 820 OG1 THR A 51 -4.017 2.419 -18.235 1.00 0.00 O ATOM 821 CG2 THR A 51 -3.419 2.118 -20.524 1.00 0.00 C ATOM 0 H THR A 51 -4.063 5.190 -19.005 1.00 0.00 H new ATOM 0 HA THR A 51 -5.764 3.614 -20.811 1.00 0.00 H new ATOM 0 HB THR A 51 -5.283 1.580 -19.624 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.556 1.575 -18.047 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.930 1.177 -20.274 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.825 2.059 -21.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.693 2.929 -20.472 1.00 0.00 H new ATOM 828 N LYS A 52 -7.130 2.921 -18.456 1.00 0.00 N ATOM 829 CA LYS A 52 -8.243 2.984 -17.516 1.00 0.00 C ATOM 830 C LYS A 52 -7.980 2.082 -16.307 1.00 0.00 C ATOM 831 O LYS A 52 -8.917 1.627 -15.653 1.00 0.00 O ATOM 832 CB LYS A 52 -9.535 2.566 -18.231 1.00 0.00 C ATOM 833 CG LYS A 52 -9.808 3.371 -19.504 1.00 0.00 C ATOM 834 CD LYS A 52 -9.895 4.871 -19.231 1.00 0.00 C ATOM 835 CE LYS A 52 -11.016 5.219 -18.245 1.00 0.00 C ATOM 836 NZ LYS A 52 -12.344 4.888 -18.792 1.00 0.00 N ATOM 0 H LYS A 52 -6.987 1.988 -18.843 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.348 4.006 -17.153 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.476 1.507 -18.484 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.375 2.684 -17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.016 3.181 -20.229 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.741 3.031 -19.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.943 5.221 -18.833 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.062 5.400 -20.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.861 4.677 -17.312 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.975 6.282 -18.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.082 5.244 -18.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.454 5.330 -19.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.434 3.856 -18.884 1.00 0.00 H new ATOM 850 N GLU A 53 -6.702 1.824 -16.013 1.00 0.00 N ATOM 851 CA GLU A 53 -6.283 0.929 -14.945 1.00 0.00 C ATOM 852 C GLU A 53 -5.078 1.523 -14.212 1.00 0.00 C ATOM 853 O GLU A 53 -4.891 2.735 -14.236 1.00 0.00 O ATOM 854 CB GLU A 53 -5.997 -0.463 -15.525 1.00 0.00 C ATOM 855 CG GLU A 53 -4.888 -0.439 -16.579 1.00 0.00 C ATOM 856 CD GLU A 53 -4.645 -1.840 -17.138 1.00 0.00 C ATOM 857 OE1 GLU A 53 -3.912 -2.608 -16.474 1.00 0.00 O ATOM 858 OE2 GLU A 53 -5.195 -2.138 -18.225 1.00 0.00 O ATOM 0 H GLU A 53 -5.922 2.241 -16.522 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.080 0.817 -14.210 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.713 -1.139 -14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.908 -0.863 -15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.163 0.238 -17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.969 -0.053 -16.138 1.00 0.00 H new ATOM 865 N SER A 54 -4.259 0.696 -13.561 1.00 0.00 N ATOM 866 CA SER A 54 -3.104 1.168 -12.810 1.00 0.00 C ATOM 867 C SER A 54 -1.872 0.330 -13.140 1.00 0.00 C ATOM 868 O SER A 54 -1.970 -0.712 -13.787 1.00 0.00 O ATOM 869 CB SER A 54 -3.403 1.072 -11.312 1.00 0.00 C ATOM 870 OG SER A 54 -2.344 1.635 -10.571 1.00 0.00 O ATOM 0 H SER A 54 -4.380 -0.317 -13.542 1.00 0.00 H new ATOM 0 HA SER A 54 -2.903 2.204 -13.083 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.333 1.592 -11.085 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.543 0.029 -11.027 1.00 0.00 H new ATOM 0 HG SER A 54 -2.544 1.571 -9.614 1.00 0.00 H new ATOM 876 N ARG A 55 -0.704 0.796 -12.690 1.00 0.00 N ATOM 877 CA ARG A 55 0.566 0.110 -12.891 1.00 0.00 C ATOM 878 C ARG A 55 0.703 -1.102 -11.980 1.00 0.00 C ATOM 879 O ARG A 55 1.686 -1.836 -12.069 1.00 0.00 O ATOM 880 CB ARG A 55 1.698 1.103 -12.669 1.00 0.00 C ATOM 881 CG ARG A 55 1.708 2.005 -13.902 1.00 0.00 C ATOM 882 CD ARG A 55 3.016 2.775 -14.034 1.00 0.00 C ATOM 883 NE ARG A 55 3.059 3.934 -13.139 1.00 0.00 N ATOM 884 CZ ARG A 55 4.026 4.854 -13.163 1.00 0.00 C ATOM 885 NH1 ARG A 55 5.063 4.737 -13.990 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.961 5.900 -12.350 1.00 0.00 N ATOM 0 H ARG A 55 -0.617 1.670 -12.171 1.00 0.00 H new ATOM 0 HA ARG A 55 0.610 -0.269 -13.912 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.536 1.684 -11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.652 0.589 -12.553 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.551 1.400 -14.795 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.877 2.708 -13.844 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.852 2.112 -13.810 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.140 3.107 -15.065 1.00 0.00 H new ATOM 0 HE ARG A 55 2.307 4.044 -12.459 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.127 3.936 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.793 5.449 -13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.174 6.000 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.698 6.605 -12.366 1.00 0.00 H new ATOM 900 N GLY A 56 -0.282 -1.318 -11.105 1.00 0.00 N ATOM 901 CA GLY A 56 -0.316 -2.499 -10.253 1.00 0.00 C ATOM 902 C GLY A 56 0.412 -2.292 -8.930 1.00 0.00 C ATOM 903 O GLY A 56 0.707 -3.266 -8.242 1.00 0.00 O ATOM 0 H GLY A 56 -1.069 -0.683 -10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.353 -2.768 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.135 -3.338 -10.784 1.00 0.00 H new ATOM 907 N PHE A 57 0.712 -1.045 -8.559 1.00 0.00 N ATOM 908 CA PHE A 57 1.402 -0.753 -7.313 1.00 0.00 C ATOM 909 C PHE A 57 0.992 0.608 -6.781 1.00 0.00 C ATOM 910 O PHE A 57 0.576 1.491 -7.534 1.00 0.00 O ATOM 911 CB PHE A 57 2.916 -0.815 -7.534 1.00 0.00 C ATOM 912 CG PHE A 57 3.537 0.419 -8.159 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.327 0.737 -9.513 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.341 1.253 -7.368 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.937 1.874 -10.063 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.949 2.388 -7.920 1.00 0.00 C ATOM 917 CZ PHE A 57 4.745 2.699 -9.268 1.00 0.00 C ATOM 0 H PHE A 57 0.483 -0.220 -9.113 1.00 0.00 H new ATOM 0 HA PHE A 57 1.124 -1.501 -6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.398 -0.996 -6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.138 -1.673 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.699 0.108 -10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.493 1.018 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.783 2.115 -11.104 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.573 3.021 -7.306 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.210 3.575 -9.697 1.00 0.00 H new ATOM 927 N ALA A 58 1.114 0.768 -5.464 1.00 0.00 N ATOM 928 CA ALA A 58 0.770 1.988 -4.767 1.00 0.00 C ATOM 929 C ALA A 58 2.050 2.665 -4.311 1.00 0.00 C ATOM 930 O ALA A 58 3.136 2.374 -4.805 1.00 0.00 O ATOM 931 CB ALA A 58 -0.131 1.661 -3.575 1.00 0.00 C ATOM 0 H ALA A 58 1.462 0.034 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 58 0.226 2.663 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.389 2.581 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.041 1.177 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.395 0.991 -2.894 1.00 0.00 H new ATOM 937 N PHE A 59 1.909 3.576 -3.357 1.00 0.00 N ATOM 938 CA PHE A 59 3.020 4.292 -2.781 1.00 0.00 C ATOM 939 C PHE A 59 2.565 4.852 -1.459 1.00 0.00 C ATOM 940 O PHE A 59 2.427 6.063 -1.298 1.00 0.00 O ATOM 941 CB PHE A 59 3.471 5.373 -3.767 1.00 0.00 C ATOM 942 CG PHE A 59 4.948 5.687 -3.759 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.666 5.864 -2.564 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.607 5.800 -4.989 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.033 6.171 -2.613 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.973 6.103 -5.036 1.00 0.00 C ATOM 947 CZ PHE A 59 7.687 6.293 -3.846 1.00 0.00 C ATOM 0 H PHE A 59 1.005 3.836 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 59 3.881 3.649 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.189 5.062 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.922 6.289 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.167 5.764 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.058 5.653 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.585 6.314 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.475 6.190 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.739 6.533 -3.879 1.00 0.00 H new ATOM 957 N VAL A 60 2.327 3.954 -0.498 1.00 0.00 N ATOM 958 CA VAL A 60 2.133 4.531 0.825 1.00 0.00 C ATOM 959 C VAL A 60 3.513 4.935 1.304 1.00 0.00 C ATOM 960 O VAL A 60 4.466 4.198 1.072 1.00 0.00 O ATOM 961 CB VAL A 60 1.428 3.646 1.854 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.345 2.742 1.263 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.364 2.937 2.828 1.00 0.00 C ATOM 0 H VAL A 60 2.269 2.940 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 60 1.443 5.369 0.730 1.00 0.00 H new ATOM 0 HB VAL A 60 0.884 4.354 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.106 2.147 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.422 3.355 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.790 2.079 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.778 2.332 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.047 2.294 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.936 3.677 3.387 1.00 0.00 H new ATOM 973 N ARG A 61 3.623 6.090 1.960 1.00 0.00 N ATOM 974 CA ARG A 61 4.893 6.557 2.484 1.00 0.00 C ATOM 975 C ARG A 61 4.732 7.014 3.907 1.00 0.00 C ATOM 976 O ARG A 61 3.791 7.710 4.279 1.00 0.00 O ATOM 977 CB ARG A 61 5.529 7.609 1.569 1.00 0.00 C ATOM 978 CG ARG A 61 6.446 8.560 2.351 1.00 0.00 C ATOM 979 CD ARG A 61 7.179 9.514 1.410 1.00 0.00 C ATOM 980 NE ARG A 61 8.241 10.235 2.123 1.00 0.00 N ATOM 981 CZ ARG A 61 8.147 11.489 2.579 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.032 12.200 2.449 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.195 12.042 3.174 1.00 0.00 N ATOM 0 H ARG A 61 2.839 6.718 2.139 1.00 0.00 H new ATOM 0 HA ARG A 61 5.598 5.726 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.102 7.112 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.745 8.183 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.856 9.132 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.170 7.982 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.608 8.954 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.472 10.226 0.984 1.00 0.00 H new ATOM 0 HE ARG A 61 9.119 9.741 2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.217 11.792 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.991 13.154 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.060 11.512 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.136 12.998 3.526 1.00 0.00 H new ATOM 997 N PHE A 62 5.712 6.584 4.694 1.00 0.00 N ATOM 998 CA PHE A 62 5.697 6.871 6.117 1.00 0.00 C ATOM 999 C PHE A 62 6.771 7.889 6.435 1.00 0.00 C ATOM 1000 O PHE A 62 7.874 7.806 5.901 1.00 0.00 O ATOM 1001 CB PHE A 62 5.918 5.593 6.916 1.00 0.00 C ATOM 1002 CG PHE A 62 4.661 4.775 7.102 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.741 4.599 6.051 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.408 4.204 8.353 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.556 3.881 6.256 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.244 3.459 8.557 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.327 3.303 7.514 1.00 0.00 C ATOM 0 H PHE A 62 6.515 6.043 4.373 1.00 0.00 H new ATOM 0 HA PHE A 62 4.725 7.280 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.668 4.983 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.323 5.851 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.951 5.021 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.112 4.339 9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.833 3.774 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.053 3.005 9.518 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.428 2.728 7.679 1.00 0.00 H new ATOM 1017 N HIS A 63 6.405 8.830 7.307 1.00 0.00 N ATOM 1018 CA HIS A 63 7.237 9.933 7.769 1.00 0.00 C ATOM 1019 C HIS A 63 8.107 9.512 8.957 1.00 0.00 C ATOM 1020 O HIS A 63 8.949 10.287 9.409 1.00 0.00 O ATOM 1021 CB HIS A 63 6.298 11.065 8.204 1.00 0.00 C ATOM 1022 CG HIS A 63 5.246 10.595 9.179 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.429 9.601 10.142 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.957 11.049 9.258 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.250 9.467 10.763 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.352 10.333 10.264 1.00 0.00 N ATOM 0 H HIS A 63 5.476 8.841 7.728 1.00 0.00 H new ATOM 0 HA HIS A 63 7.902 10.251 6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.883 11.863 8.661 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.812 11.489 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.504 11.818 8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.049 8.761 11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.387 10.441 10.578 1.00 0.00 H new ATOM 1034 N ASP A 64 7.906 8.291 9.460 1.00 0.00 N ATOM 1035 CA ASP A 64 8.606 7.784 10.626 1.00 0.00 C ATOM 1036 C ASP A 64 8.824 6.281 10.470 1.00 0.00 C ATOM 1037 O ASP A 64 7.872 5.499 10.464 1.00 0.00 O ATOM 1038 CB ASP A 64 7.797 8.092 11.886 1.00 0.00 C ATOM 1039 CG ASP A 64 8.557 7.729 13.163 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.528 6.947 13.069 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.156 8.240 14.233 1.00 0.00 O ATOM 0 H ASP A 64 7.244 7.626 9.060 1.00 0.00 H new ATOM 0 HA ASP A 64 9.578 8.269 10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.545 9.152 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.857 7.541 11.856 1.00 0.00 H new ATOM 1046 N LYS A 65 10.092 5.890 10.343 1.00 0.00 N ATOM 1047 CA LYS A 65 10.496 4.508 10.159 1.00 0.00 C ATOM 1048 C LYS A 65 9.992 3.584 11.261 1.00 0.00 C ATOM 1049 O LYS A 65 9.857 2.389 11.031 1.00 0.00 O ATOM 1050 CB LYS A 65 12.019 4.445 10.061 1.00 0.00 C ATOM 1051 CG LYS A 65 12.681 4.756 11.405 1.00 0.00 C ATOM 1052 CD LYS A 65 14.111 5.268 11.213 1.00 0.00 C ATOM 1053 CE LYS A 65 14.982 4.269 10.452 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.309 4.843 10.165 1.00 0.00 N ATOM 0 H LYS A 65 10.877 6.541 10.366 1.00 0.00 H new ATOM 0 HA LYS A 65 10.040 4.150 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.322 3.453 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.366 5.155 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.093 5.503 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.693 3.859 12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.087 6.214 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.557 5.469 12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.094 3.357 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.492 3.990 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.917 4.115 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.207 5.639 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.740 5.180 11.049 1.00 0.00 H new ATOM 1068 N ARG A 66 9.709 4.107 12.458 1.00 0.00 N ATOM 1069 CA ARG A 66 9.249 3.273 13.562 1.00 0.00 C ATOM 1070 C ARG A 66 7.844 2.761 13.278 1.00 0.00 C ATOM 1071 O ARG A 66 7.571 1.567 13.423 1.00 0.00 O ATOM 1072 CB ARG A 66 9.259 4.093 14.853 1.00 0.00 C ATOM 1073 CG ARG A 66 10.676 4.539 15.232 1.00 0.00 C ATOM 1074 CD ARG A 66 11.577 3.342 15.536 1.00 0.00 C ATOM 1075 NE ARG A 66 11.077 2.578 16.689 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.066 1.244 16.778 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.514 0.482 15.786 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.598 0.662 17.882 1.00 0.00 N ATOM 0 H ARG A 66 9.791 5.099 12.682 1.00 0.00 H new ATOM 0 HA ARG A 66 9.915 2.417 13.672 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.622 4.969 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.835 3.500 15.664 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.106 5.121 14.417 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.632 5.193 16.103 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.631 2.693 14.662 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.590 3.689 15.738 1.00 0.00 H new ATOM 0 HE ARG A 66 10.711 3.106 17.481 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.876 0.913 14.935 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.496 -0.534 15.875 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.251 1.234 18.652 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.587 -0.355 17.957 1.00 0.00 H new ATOM 1092 N ASP A 67 6.949 3.660 12.870 1.00 0.00 N ATOM 1093 CA ASP A 67 5.594 3.274 12.517 1.00 0.00 C ATOM 1094 C ASP A 67 5.622 2.425 11.249 1.00 0.00 C ATOM 1095 O ASP A 67 4.741 1.596 11.033 1.00 0.00 O ATOM 1096 CB ASP A 67 4.732 4.518 12.295 1.00 0.00 C ATOM 1097 CG ASP A 67 4.604 5.367 13.556 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.478 4.773 14.649 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.633 6.611 13.420 1.00 0.00 O ATOM 0 H ASP A 67 7.142 4.657 12.778 1.00 0.00 H new ATOM 0 HA ASP A 67 5.163 2.693 13.332 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.166 5.120 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.740 4.215 11.962 1.00 0.00 H new ATOM 1104 N ALA A 68 6.642 2.633 10.410 1.00 0.00 N ATOM 1105 CA ALA A 68 6.787 1.886 9.178 1.00 0.00 C ATOM 1106 C ALA A 68 7.333 0.486 9.435 1.00 0.00 C ATOM 1107 O ALA A 68 6.974 -0.447 8.723 1.00 0.00 O ATOM 1108 CB ALA A 68 7.750 2.652 8.280 1.00 0.00 C ATOM 0 H ALA A 68 7.379 3.320 10.573 1.00 0.00 H new ATOM 0 HA ALA A 68 5.810 1.776 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.880 2.113 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.346 3.644 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.714 2.749 8.779 1.00 0.00 H new ATOM 1114 N GLU A 69 8.193 0.332 10.448 1.00 0.00 N ATOM 1115 CA GLU A 69 8.778 -0.951 10.794 1.00 0.00 C ATOM 1116 C GLU A 69 7.703 -1.942 11.195 1.00 0.00 C ATOM 1117 O GLU A 69 7.681 -3.059 10.687 1.00 0.00 O ATOM 1118 CB GLU A 69 9.738 -0.778 11.974 1.00 0.00 C ATOM 1119 CG GLU A 69 11.153 -0.465 11.485 1.00 0.00 C ATOM 1120 CD GLU A 69 12.115 -0.332 12.662 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.659 -1.374 13.091 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.303 0.812 13.135 1.00 0.00 O ATOM 0 H GLU A 69 8.498 1.100 11.047 1.00 0.00 H new ATOM 0 HA GLU A 69 9.310 -1.327 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.386 0.026 12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.749 -1.687 12.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.495 -1.256 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.147 0.460 10.908 1.00 0.00 H new ATOM 1129 N ASP A 70 6.808 -1.539 12.102 1.00 0.00 N ATOM 1130 CA ASP A 70 5.801 -2.476 12.583 1.00 0.00 C ATOM 1131 C ASP A 70 4.768 -2.762 11.492 1.00 0.00 C ATOM 1132 O ASP A 70 4.375 -3.909 11.290 1.00 0.00 O ATOM 1133 CB ASP A 70 5.122 -1.913 13.827 1.00 0.00 C ATOM 1134 CG ASP A 70 6.119 -1.596 14.940 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.971 -2.469 15.214 1.00 0.00 O ATOM 1136 OD2 ASP A 70 6.022 -0.485 15.506 1.00 0.00 O ATOM 0 H ASP A 70 6.762 -0.603 12.504 1.00 0.00 H new ATOM 0 HA ASP A 70 6.290 -3.415 12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.577 -1.007 13.562 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.388 -2.631 14.194 1.00 0.00 H new ATOM 1141 N ALA A 71 4.324 -1.720 10.784 1.00 0.00 N ATOM 1142 CA ALA A 71 3.349 -1.887 9.722 1.00 0.00 C ATOM 1143 C ALA A 71 3.893 -2.820 8.646 1.00 0.00 C ATOM 1144 O ALA A 71 3.189 -3.721 8.205 1.00 0.00 O ATOM 1145 CB ALA A 71 2.996 -0.519 9.133 1.00 0.00 C ATOM 0 H ALA A 71 4.628 -0.758 10.932 1.00 0.00 H new ATOM 0 HA ALA A 71 2.444 -2.337 10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.264 -0.644 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.577 0.116 9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.895 -0.053 8.730 1.00 0.00 H new ATOM 1151 N MET A 72 5.144 -2.614 8.227 1.00 0.00 N ATOM 1152 CA MET A 72 5.776 -3.437 7.208 1.00 0.00 C ATOM 1153 C MET A 72 5.940 -4.867 7.712 1.00 0.00 C ATOM 1154 O MET A 72 5.701 -5.815 6.966 1.00 0.00 O ATOM 1155 CB MET A 72 7.132 -2.810 6.888 1.00 0.00 C ATOM 1156 CG MET A 72 8.022 -3.725 6.054 1.00 0.00 C ATOM 1157 SD MET A 72 9.398 -2.863 5.253 1.00 0.00 S ATOM 1158 CE MET A 72 9.929 -1.797 6.619 1.00 0.00 C ATOM 0 H MET A 72 5.742 -1.871 8.588 1.00 0.00 H new ATOM 0 HA MET A 72 5.162 -3.479 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.977 -1.874 6.352 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.642 -2.564 7.819 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.420 -4.512 6.694 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.415 -4.211 5.290 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.918 -1.393 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.220 -0.977 6.737 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.968 -2.378 7.540 1.00 0.00 H new ATOM 1168 N ASP A 73 6.345 -5.035 8.974 1.00 0.00 N ATOM 1169 CA ASP A 73 6.492 -6.355 9.570 1.00 0.00 C ATOM 1170 C ASP A 73 5.130 -7.026 9.772 1.00 0.00 C ATOM 1171 O ASP A 73 5.064 -8.192 10.165 1.00 0.00 O ATOM 1172 CB ASP A 73 7.238 -6.220 10.900 1.00 0.00 C ATOM 1173 CG ASP A 73 7.566 -7.585 11.510 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.313 -8.344 10.854 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.070 -7.856 12.626 1.00 0.00 O ATOM 0 H ASP A 73 6.577 -4.265 9.601 1.00 0.00 H new ATOM 0 HA ASP A 73 7.066 -6.990 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.160 -5.661 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.631 -5.645 11.600 1.00 0.00 H new ATOM 1180 N ALA A 74 4.039 -6.302 9.503 1.00 0.00 N ATOM 1181 CA ALA A 74 2.684 -6.802 9.663 1.00 0.00 C ATOM 1182 C ALA A 74 1.840 -6.616 8.399 1.00 0.00 C ATOM 1183 O ALA A 74 0.639 -6.873 8.428 1.00 0.00 O ATOM 1184 CB ALA A 74 2.058 -6.084 10.859 1.00 0.00 C ATOM 0 H ALA A 74 4.080 -5.341 9.164 1.00 0.00 H new ATOM 0 HA ALA A 74 2.716 -7.877 9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.038 -6.440 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.645 -6.289 11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.045 -5.010 10.672 1.00 0.00 H new ATOM 1190 N MET A 75 2.448 -6.173 7.290 1.00 0.00 N ATOM 1191 CA MET A 75 1.721 -5.945 6.044 1.00 0.00 C ATOM 1192 C MET A 75 2.454 -6.472 4.814 1.00 0.00 C ATOM 1193 O MET A 75 1.834 -6.632 3.765 1.00 0.00 O ATOM 1194 CB MET A 75 1.454 -4.453 5.860 1.00 0.00 C ATOM 1195 CG MET A 75 0.315 -3.965 6.751 1.00 0.00 C ATOM 1196 SD MET A 75 -1.280 -4.745 6.399 1.00 0.00 S ATOM 1197 CE MET A 75 -1.305 -4.546 4.597 1.00 0.00 C ATOM 0 H MET A 75 3.445 -5.966 7.236 1.00 0.00 H new ATOM 0 HA MET A 75 0.786 -6.499 6.130 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.360 -3.891 6.088 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.210 -4.254 4.817 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.577 -4.151 7.793 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.214 -2.886 6.635 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.297 -4.791 4.218 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.063 -3.514 4.341 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.570 -5.213 4.147 1.00 0.00 H new ATOM 1207 N ASP A 76 3.756 -6.752 4.909 1.00 0.00 N ATOM 1208 CA ASP A 76 4.483 -7.326 3.787 1.00 0.00 C ATOM 1209 C ASP A 76 3.976 -8.741 3.508 1.00 0.00 C ATOM 1210 O ASP A 76 4.096 -9.630 4.352 1.00 0.00 O ATOM 1211 CB ASP A 76 5.982 -7.322 4.081 1.00 0.00 C ATOM 1212 CG ASP A 76 6.769 -7.772 2.856 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.458 -7.251 1.761 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.666 -8.625 3.028 1.00 0.00 O ATOM 0 H ASP A 76 4.319 -6.591 5.744 1.00 0.00 H new ATOM 0 HA ASP A 76 4.312 -6.723 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.298 -6.321 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.195 -7.984 4.921 1.00 0.00 H new ATOM 1219 N GLY A 77 3.404 -8.947 2.322 1.00 0.00 N ATOM 1220 CA GLY A 77 2.847 -10.231 1.916 1.00 0.00 C ATOM 1221 C GLY A 77 1.591 -10.570 2.710 1.00 0.00 C ATOM 1222 O GLY A 77 1.280 -11.745 2.917 1.00 0.00 O ATOM 0 H GLY A 77 3.315 -8.220 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.611 -10.207 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.592 -11.014 2.059 1.00 0.00 H new ATOM 1226 N ALA A 78 0.862 -9.544 3.161 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.325 -9.714 3.991 1.00 0.00 C ATOM 1228 C ALA A 78 -1.586 -9.958 3.159 1.00 0.00 C ATOM 1229 O ALA A 78 -2.679 -10.028 3.717 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.485 -8.488 4.882 1.00 0.00 C ATOM 0 H ALA A 78 1.084 -8.569 2.957 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.191 -10.603 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.370 -8.605 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.395 -8.382 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.594 -7.599 4.261 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.423 -10.080 1.835 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.494 -10.341 0.873 1.00 0.00 C ATOM 1238 C VAL A 79 -3.823 -9.700 1.288 1.00 0.00 C ATOM 1239 O VAL A 79 -4.764 -10.369 1.711 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.566 -11.842 0.548 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.600 -12.724 1.792 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.704 -12.154 -0.404 1.00 0.00 C ATOM 0 H VAL A 79 -0.508 -9.996 1.392 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.256 -9.843 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.635 -12.088 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.651 -13.771 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.698 -12.557 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.476 -12.474 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.723 -13.224 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.649 -11.855 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.559 -11.607 -1.336 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.867 -8.374 1.154 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.026 -7.543 1.453 1.00 0.00 C ATOM 1254 C LEU A 80 -6.224 -7.870 0.546 1.00 0.00 C ATOM 1255 O LEU A 80 -7.345 -7.473 0.862 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.539 -6.093 1.338 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.624 -5.025 1.197 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.032 -3.693 1.644 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.031 -4.867 -0.264 1.00 0.00 C ATOM 0 H LEU A 80 -3.068 -7.834 0.823 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.411 -7.730 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.943 -5.861 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.875 -6.022 0.477 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.489 -5.315 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.786 -2.911 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.710 -3.768 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.176 -3.446 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.804 -4.103 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.163 -4.570 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.417 -5.815 -0.639 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.010 -8.583 -0.566 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.097 -8.935 -1.479 1.00 0.00 C ATOM 1273 C ASP A 81 -6.959 -10.363 -2.010 1.00 0.00 C ATOM 1274 O ASP A 81 -7.934 -11.113 -1.996 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.120 -7.937 -2.638 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.253 -8.269 -3.609 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.395 -7.836 -3.335 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.968 -8.954 -4.616 1.00 0.00 O ATOM 0 H ASP A 81 -5.093 -8.926 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.036 -8.889 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.249 -6.926 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.165 -7.959 -3.163 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.765 -10.741 -2.472 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.519 -12.101 -2.951 1.00 0.00 C ATOM 1285 C GLY A 82 -4.371 -12.182 -3.953 1.00 0.00 C ATOM 1286 O GLY A 82 -4.365 -13.057 -4.819 1.00 0.00 O ATOM 0 H GLY A 82 -4.954 -10.124 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.297 -12.745 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.427 -12.487 -3.415 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.400 -11.271 -3.839 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.246 -11.220 -4.726 1.00 0.00 C ATOM 1292 C ARG A 83 -0.938 -11.008 -3.964 1.00 0.00 C ATOM 1293 O ARG A 83 0.132 -11.269 -4.509 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.462 -10.107 -5.747 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.924 -8.826 -5.049 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.716 -7.654 -5.994 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.350 -7.910 -7.295 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.697 -8.032 -8.456 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.376 -7.885 -8.528 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.377 -8.305 -9.566 1.00 0.00 N ATOM 0 H ARG A 83 -3.398 -10.546 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.156 -12.181 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.536 -9.919 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.206 -10.417 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.975 -8.905 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.361 -8.673 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.133 -6.748 -5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.649 -7.479 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.366 -8.002 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.840 -7.675 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.900 -7.983 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.390 -8.420 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.886 -8.399 -10.455 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.039 -10.538 -2.712 1.00 0.00 N ATOM 1315 CA GLU A 84 0.021 -10.515 -1.712 1.00 0.00 C ATOM 1316 C GLU A 84 0.702 -9.151 -1.670 1.00 0.00 C ATOM 1317 O GLU A 84 1.666 -8.899 -2.388 1.00 0.00 O ATOM 1318 CB GLU A 84 1.000 -11.687 -1.882 1.00 0.00 C ATOM 1319 CG GLU A 84 1.164 -12.423 -0.551 1.00 0.00 C ATOM 1320 CD GLU A 84 2.336 -13.398 -0.602 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.452 -12.935 -0.919 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.110 -14.597 -0.323 1.00 0.00 O ATOM 0 H GLU A 84 -1.911 -10.145 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.433 -10.663 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.631 -12.373 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.967 -11.318 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.323 -11.701 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.247 -12.964 -0.316 1.00 0.00 H new ATOM 1329 N LEU A 85 0.176 -8.268 -0.814 1.00 0.00 N ATOM 1330 CA LEU A 85 0.662 -6.909 -0.592 1.00 0.00 C ATOM 1331 C LEU A 85 2.184 -6.892 -0.445 1.00 0.00 C ATOM 1332 O LEU A 85 2.791 -7.900 -0.092 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.059 -6.402 0.668 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.415 -4.910 0.725 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.811 -4.009 0.794 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.275 -4.493 -0.463 1.00 0.00 C ATOM 0 H LEU A 85 -0.633 -8.494 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 85 0.448 -6.256 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.981 -6.973 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.567 -6.632 1.530 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.981 -4.782 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.495 -2.967 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.387 -4.246 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.430 -4.168 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.507 -3.431 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.732 -4.682 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.201 -5.068 -0.461 1.00 0.00 H new ATOM 1348 N ARG A 86 2.816 -5.749 -0.716 1.00 0.00 N ATOM 1349 CA ARG A 86 4.261 -5.609 -0.652 1.00 0.00 C ATOM 1350 C ARG A 86 4.615 -4.343 0.111 1.00 0.00 C ATOM 1351 O ARG A 86 4.035 -3.287 -0.139 1.00 0.00 O ATOM 1352 CB ARG A 86 4.817 -5.527 -2.073 1.00 0.00 C ATOM 1353 CG ARG A 86 4.657 -6.836 -2.845 1.00 0.00 C ATOM 1354 CD ARG A 86 5.465 -7.943 -2.168 1.00 0.00 C ATOM 1355 NE ARG A 86 5.372 -9.203 -2.906 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.811 -10.316 -2.423 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.245 -10.336 -1.221 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.806 -11.430 -3.142 1.00 0.00 N ATOM 0 H ARG A 86 2.332 -4.893 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 86 4.693 -6.468 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.309 -4.728 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.873 -5.262 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.605 -7.117 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.994 -6.705 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.509 -7.640 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.103 -8.089 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 86 5.760 -9.234 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.233 -9.492 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.822 -11.196 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.232 -11.441 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.376 -12.276 -2.768 1.00 0.00 H new ATOM 1372 N VAL A 87 5.568 -4.451 1.038 1.00 0.00 N ATOM 1373 CA VAL A 87 5.982 -3.312 1.840 1.00 0.00 C ATOM 1374 C VAL A 87 7.501 -3.275 1.963 1.00 0.00 C ATOM 1375 O VAL A 87 8.148 -4.306 2.133 1.00 0.00 O ATOM 1376 CB VAL A 87 5.327 -3.384 3.217 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.568 -2.070 3.950 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.830 -3.682 3.130 1.00 0.00 C ATOM 0 H VAL A 87 6.064 -5.317 1.248 1.00 0.00 H new ATOM 0 HA VAL A 87 5.660 -2.393 1.349 1.00 0.00 H new ATOM 0 HB VAL A 87 5.779 -4.208 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.103 -2.112 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.640 -1.907 4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.133 -1.250 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.408 -3.724 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.335 -2.895 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.678 -4.640 2.633 1.00 0.00 H new ATOM 1388 N GLN A 88 8.060 -2.065 1.869 1.00 0.00 N ATOM 1389 CA GLN A 88 9.500 -1.854 1.857 1.00 0.00 C ATOM 1390 C GLN A 88 9.821 -0.370 2.017 1.00 0.00 C ATOM 1391 O GLN A 88 9.043 0.491 1.623 1.00 0.00 O ATOM 1392 CB GLN A 88 10.060 -2.351 0.519 1.00 0.00 C ATOM 1393 CG GLN A 88 9.252 -1.822 -0.669 1.00 0.00 C ATOM 1394 CD GLN A 88 9.831 -2.261 -2.010 1.00 0.00 C ATOM 1395 OE1 GLN A 88 10.993 -2.660 -2.103 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.032 -2.190 -3.069 1.00 0.00 N ATOM 0 H GLN A 88 7.518 -1.203 1.799 1.00 0.00 H new ATOM 0 HA GLN A 88 9.951 -2.402 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.099 -2.036 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.055 -3.441 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.223 -2.172 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.223 -0.733 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.074 -1.856 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.376 -2.470 -3.987 1.00 0.00 H new ATOM 1405 N MET A 89 10.980 -0.062 2.602 1.00 0.00 N ATOM 1406 CA MET A 89 11.484 1.296 2.680 1.00 0.00 C ATOM 1407 C MET A 89 11.506 1.912 1.282 1.00 0.00 C ATOM 1408 O MET A 89 11.821 1.237 0.305 1.00 0.00 O ATOM 1409 CB MET A 89 12.876 1.262 3.308 1.00 0.00 C ATOM 1410 CG MET A 89 12.706 0.912 4.785 1.00 0.00 C ATOM 1411 SD MET A 89 12.185 2.325 5.792 1.00 0.00 S ATOM 1412 CE MET A 89 11.528 1.438 7.224 1.00 0.00 C ATOM 0 H MET A 89 11.592 -0.755 3.034 1.00 0.00 H new ATOM 0 HA MET A 89 10.839 1.916 3.302 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.504 0.524 2.809 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.370 2.227 3.197 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.970 0.113 4.881 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.649 0.525 5.172 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.389 2.134 8.051 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.570 0.987 6.965 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.228 0.657 7.521 1.00 0.00 H new ATOM 1422 N ALA A 90 11.172 3.198 1.187 1.00 0.00 N ATOM 1423 CA ALA A 90 11.066 3.897 -0.086 1.00 0.00 C ATOM 1424 C ALA A 90 12.428 4.311 -0.643 1.00 0.00 C ATOM 1425 O ALA A 90 12.478 4.833 -1.751 1.00 0.00 O ATOM 1426 CB ALA A 90 10.165 5.119 0.097 1.00 0.00 C ATOM 0 H ALA A 90 10.967 3.784 1.996 1.00 0.00 H new ATOM 0 HA ALA A 90 10.632 3.213 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.077 5.652 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.177 4.797 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.598 5.781 0.847 1.00 0.00 H new ATOM 1432 N ARG A 91 13.511 4.082 0.115 1.00 0.00 N ATOM 1433 CA ARG A 91 14.882 4.500 -0.196 1.00 0.00 C ATOM 1434 C ARG A 91 15.115 5.978 0.082 1.00 0.00 C ATOM 1435 O ARG A 91 16.116 6.530 -0.376 1.00 0.00 O ATOM 1436 CB ARG A 91 15.323 4.178 -1.630 1.00 0.00 C ATOM 1437 CG ARG A 91 15.628 2.705 -1.809 1.00 0.00 C ATOM 1438 CD ARG A 91 14.374 1.839 -1.835 1.00 0.00 C ATOM 1439 NE ARG A 91 14.699 0.500 -2.344 1.00 0.00 N ATOM 1440 CZ ARG A 91 13.888 -0.557 -2.270 1.00 0.00 C ATOM 1441 NH1 ARG A 91 12.704 -0.469 -1.674 1.00 0.00 N ATOM 1442 NH2 ARG A 91 14.256 -1.721 -2.798 1.00 0.00 N ATOM 0 H ARG A 91 13.450 3.578 1.000 1.00 0.00 H new ATOM 0 HA ARG A 91 15.499 3.905 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.538 4.474 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 91 16.207 4.765 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 91 16.180 2.564 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 91 16.277 2.372 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.953 1.764 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.615 2.302 -2.465 1.00 0.00 H new ATOM 0 HE ARG A 91 15.609 0.369 -2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.404 0.416 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.095 -1.286 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.161 -1.808 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.634 -2.527 -2.740 1.00 0.00 H new ATOM 1456 N TYR A 92 14.218 6.632 0.820 1.00 0.00 N ATOM 1457 CA TYR A 92 14.377 8.048 1.084 1.00 0.00 C ATOM 1458 C TYR A 92 14.299 8.342 2.579 1.00 0.00 C ATOM 1459 O TYR A 92 13.990 7.460 3.378 1.00 0.00 O ATOM 1460 CB TYR A 92 13.313 8.831 0.315 1.00 0.00 C ATOM 1461 CG TYR A 92 13.272 8.535 -1.164 1.00 0.00 C ATOM 1462 CD1 TYR A 92 14.187 9.138 -2.037 1.00 0.00 C ATOM 1463 CD2 TYR A 92 12.314 7.644 -1.662 1.00 0.00 C ATOM 1464 CE1 TYR A 92 14.141 8.851 -3.412 1.00 0.00 C ATOM 1465 CE2 TYR A 92 12.268 7.339 -3.030 1.00 0.00 C ATOM 1466 CZ TYR A 92 13.182 7.948 -3.915 1.00 0.00 C ATOM 1467 OH TYR A 92 13.139 7.667 -5.248 1.00 0.00 O ATOM 0 H TYR A 92 13.390 6.206 1.236 1.00 0.00 H new ATOM 0 HA TYR A 92 15.364 8.362 0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.336 8.612 0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.491 9.897 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.928 9.824 -1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.605 7.188 -0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.842 9.323 -4.085 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.535 6.640 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 92 12.420 7.025 -5.424 1.00 0.00 H new ATOM 1477 N GLY A 93 14.577 9.591 2.955 1.00 0.00 N ATOM 1478 CA GLY A 93 14.561 10.026 4.345 1.00 0.00 C ATOM 1479 C GLY A 93 14.164 11.494 4.477 1.00 0.00 C ATOM 1480 O GLY A 93 14.422 12.112 5.512 1.00 0.00 O ATOM 0 H GLY A 93 14.821 10.331 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.863 9.409 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.547 9.876 4.784 1.00 0.00 H new ATOM 1484 N ARG A 94 13.536 12.055 3.434 1.00 0.00 N ATOM 1485 CA ARG A 94 13.074 13.436 3.427 1.00 0.00 C ATOM 1486 C ARG A 94 12.020 13.647 4.521 1.00 0.00 C ATOM 1487 O ARG A 94 11.407 12.682 4.976 1.00 0.00 O ATOM 1488 CB ARG A 94 12.480 13.743 2.047 1.00 0.00 C ATOM 1489 CG ARG A 94 13.511 13.609 0.919 1.00 0.00 C ATOM 1490 CD ARG A 94 14.672 14.591 1.093 1.00 0.00 C ATOM 1491 NE ARG A 94 15.598 14.517 -0.041 1.00 0.00 N ATOM 1492 CZ ARG A 94 16.710 15.245 -0.147 1.00 0.00 C ATOM 1493 NH1 ARG A 94 17.048 16.112 0.807 1.00 0.00 N ATOM 1494 NH2 ARG A 94 17.494 15.110 -1.211 1.00 0.00 N ATOM 0 H ARG A 94 13.337 11.553 2.569 1.00 0.00 H new ATOM 0 HA ARG A 94 13.908 14.108 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.647 13.067 1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.075 14.755 2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.897 12.590 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.025 13.786 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.284 15.606 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.205 14.369 2.017 1.00 0.00 H new ATOM 0 HE ARG A 94 15.378 13.868 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.454 16.224 1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.901 16.664 0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 94 17.245 14.449 -1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 94 18.345 15.667 -1.292 1.00 0.00 H new ATOM 1508 N PRO A 95 11.797 14.899 4.951 1.00 0.00 N ATOM 1509 CA PRO A 95 10.778 15.244 5.935 1.00 0.00 C ATOM 1510 C PRO A 95 9.378 15.011 5.364 1.00 0.00 C ATOM 1511 O PRO A 95 9.229 14.769 4.167 1.00 0.00 O ATOM 1512 CB PRO A 95 11.021 16.721 6.254 1.00 0.00 C ATOM 1513 CG PRO A 95 11.689 17.259 4.994 1.00 0.00 C ATOM 1514 CD PRO A 95 12.524 16.079 4.517 1.00 0.00 C ATOM 0 HA PRO A 95 10.839 14.628 6.832 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.088 17.243 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.660 16.842 7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.956 17.562 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.307 18.131 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.642 16.092 3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.525 16.105 4.947 1.00 0.00 H new ATOM 1522 N PRO A 96 8.338 15.081 6.208 1.00 0.00 N ATOM 1523 CA PRO A 96 6.963 14.909 5.777 1.00 0.00 C ATOM 1524 C PRO A 96 6.488 16.085 4.921 1.00 0.00 C ATOM 1525 O PRO A 96 5.576 15.923 4.115 1.00 0.00 O ATOM 1526 CB PRO A 96 6.156 14.801 7.071 1.00 0.00 C ATOM 1527 CG PRO A 96 6.978 15.609 8.072 1.00 0.00 C ATOM 1528 CD PRO A 96 8.413 15.318 7.638 1.00 0.00 C ATOM 0 HA PRO A 96 6.845 14.028 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.152 15.209 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.043 13.764 7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.747 16.673 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.793 15.292 9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.071 16.157 7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.814 14.449 8.161 1.00 0.00 H new ATOM 1536 N ASP A 97 7.100 17.263 5.087 1.00 0.00 N ATOM 1537 CA ASP A 97 6.776 18.438 4.284 1.00 0.00 C ATOM 1538 C ASP A 97 7.867 19.505 4.398 1.00 0.00 C ATOM 1539 O ASP A 97 8.157 20.196 3.422 1.00 0.00 O ATOM 1540 CB ASP A 97 5.448 19.026 4.764 1.00 0.00 C ATOM 1541 CG ASP A 97 5.048 20.241 3.931 1.00 0.00 C ATOM 1542 OD1 ASP A 97 4.655 20.036 2.760 1.00 0.00 O ATOM 1543 OD2 ASP A 97 5.136 21.366 4.471 1.00 0.00 O ATOM 0 H ASP A 97 7.831 17.424 5.780 1.00 0.00 H new ATOM 0 HA ASP A 97 6.702 18.131 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.668 18.267 4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.532 19.312 5.812 1.00 0.00 H new ATOM 1548 N SER A 98 8.475 19.644 5.584 1.00 0.00 N ATOM 1549 CA SER A 98 9.510 20.637 5.828 1.00 0.00 C ATOM 1550 C SER A 98 10.284 20.285 7.099 1.00 0.00 C ATOM 1551 O SER A 98 9.890 19.382 7.837 1.00 0.00 O ATOM 1552 CB SER A 98 8.856 22.012 5.981 1.00 0.00 C ATOM 1553 OG SER A 98 9.840 23.020 6.085 1.00 0.00 O ATOM 0 H SER A 98 8.257 19.067 6.397 1.00 0.00 H new ATOM 0 HA SER A 98 10.205 20.653 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.212 22.212 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.221 22.023 6.867 1.00 0.00 H new ATOM 0 HG SER A 98 9.405 23.893 6.180 1.00 0.00 H new ATOM 1559 N HIS A 99 11.384 20.996 7.358 1.00 0.00 N ATOM 1560 CA HIS A 99 12.218 20.779 8.533 1.00 0.00 C ATOM 1561 C HIS A 99 12.898 22.079 8.954 1.00 0.00 C ATOM 1562 O HIS A 99 12.832 23.081 8.241 1.00 0.00 O ATOM 1563 CB HIS A 99 13.264 19.705 8.222 1.00 0.00 C ATOM 1564 CG HIS A 99 14.249 20.135 7.166 1.00 0.00 C ATOM 1565 ND1 HIS A 99 13.997 20.175 5.793 1.00 0.00 N ATOM 1566 CD2 HIS A 99 15.531 20.543 7.397 1.00 0.00 C ATOM 1567 CE1 HIS A 99 15.138 20.606 5.231 1.00 0.00 C ATOM 1568 NE2 HIS A 99 16.073 20.839 6.169 1.00 0.00 N ATOM 0 H HIS A 99 11.720 21.743 6.751 1.00 0.00 H new ATOM 0 HA HIS A 99 11.592 20.442 9.359 1.00 0.00 H new ATOM 0 HB2 HIS A 99 13.804 19.455 9.135 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.759 18.797 7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.023 20.618 8.356 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.285 20.746 4.170 1.00 0.00 H new ATOM 0 HE2 HIS A 99 17.020 21.177 5.999 1.00 0.00 H new ATOM 1576 N HIS A 100 13.554 22.067 10.118 1.00 0.00 N ATOM 1577 CA HIS A 100 14.239 23.234 10.662 1.00 0.00 C ATOM 1578 C HIS A 100 15.456 22.838 11.504 1.00 0.00 C ATOM 1579 O HIS A 100 16.098 23.703 12.102 1.00 0.00 O ATOM 1580 CB HIS A 100 13.247 24.041 11.501 1.00 0.00 C ATOM 1581 CG HIS A 100 12.648 23.257 12.641 1.00 0.00 C ATOM 1582 ND1 HIS A 100 13.258 23.017 13.875 1.00 0.00 N ATOM 1583 CD2 HIS A 100 11.416 22.667 12.627 1.00 0.00 C ATOM 1584 CE1 HIS A 100 12.373 22.288 14.573 1.00 0.00 C ATOM 1585 NE2 HIS A 100 11.261 22.062 13.850 1.00 0.00 N ATOM 0 H HIS A 100 13.623 21.239 10.710 1.00 0.00 H new ATOM 0 HA HIS A 100 14.608 23.840 9.835 1.00 0.00 H new ATOM 0 HB2 HIS A 100 13.752 24.920 11.901 1.00 0.00 H new ATOM 0 HB3 HIS A 100 12.445 24.400 10.856 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.704 22.675 11.815 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.532 21.931 15.580 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.445 21.533 14.157 1.00 0.00 H new ATOM 1593 N SER A 101 15.770 21.538 11.555 1.00 0.00 N ATOM 1594 CA SER A 101 16.892 21.002 12.323 1.00 0.00 C ATOM 1595 C SER A 101 17.490 19.800 11.602 1.00 0.00 C ATOM 1596 O SER A 101 18.734 19.762 11.486 1.00 0.00 O ATOM 1597 CB SER A 101 16.420 20.576 13.716 1.00 0.00 C ATOM 1598 OG SER A 101 15.998 21.699 14.458 1.00 0.00 O ATOM 1599 OXT SER A 101 16.695 18.935 11.175 1.00 0.00 O ATOM 0 H SER A 101 15.242 20.822 11.056 1.00 0.00 H new ATOM 0 HA SER A 101 17.650 21.779 12.422 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.601 19.863 13.627 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.229 20.068 14.241 1.00 0.00 H new ATOM 0 HG SER A 101 15.115 21.986 14.143 1.00 0.00 H new TER 1605 SER A 101