USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 72 MET CE :methyl -138:sc= -1.57 (180deg=-3.66!) USER MOD Set 1.2: A 89 MET CE :methyl 164:sc= -0.946 (180deg=-0.492) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -105:sc= 1.92 (180deg=-0.333) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.0426 USER MOD Set 2.3: A 75 MET CE :methyl 176:sc= -2.54 (180deg=-2.44) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.394 USER MOD Set 3.2: A 29 THR OG1 : rot 87:sc= 0.43 USER MOD Set 4.1: A 13 MET CE :methyl -146:sc= -0.331 (180deg=-2.38!) USER MOD Set 4.2: A 15 SER OG : rot 74:sc= 0.522 USER MOD Single : A 3 TYR OH : rot 114:sc= 0.299 USER MOD Single : A 14 THR OG1 : rot 120:sc= -0.0704 USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= 1.27 (180deg=0.584) USER MOD Single : A 20 ASN : amide:sc= -3.99! C(o=-4!,f=-6.1!) USER MOD Single : A 22 THR OG1 : rot 150:sc= 1.31 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 44 TYR OH : rot 180:sc=-0.00925 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc=-0.00694 (180deg=-0.113) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.16 F(o=-4.6!,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0475) USER MOD Single : A 88 GLN : amide:sc= 0.875 K(o=0.88,f=-5.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -13.287 13.343 3.691 1.00 0.00 N ATOM 30 CA TYR A 3 -11.924 13.779 3.426 1.00 0.00 C ATOM 31 C TYR A 3 -11.917 15.201 2.866 1.00 0.00 C ATOM 32 O TYR A 3 -10.977 15.956 3.102 1.00 0.00 O ATOM 33 CB TYR A 3 -11.283 12.817 2.425 1.00 0.00 C ATOM 34 CG TYR A 3 -11.013 11.449 3.011 1.00 0.00 C ATOM 35 CD1 TYR A 3 -12.067 10.543 3.185 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.707 11.093 3.384 1.00 0.00 C ATOM 37 CE1 TYR A 3 -11.827 9.285 3.751 1.00 0.00 C ATOM 38 CE2 TYR A 3 -9.456 9.828 3.941 1.00 0.00 C ATOM 39 CZ TYR A 3 -10.518 8.926 4.141 1.00 0.00 C ATOM 40 OH TYR A 3 -10.289 7.711 4.712 1.00 0.00 O ATOM 0 HA TYR A 3 -11.356 13.777 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.937 12.713 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.346 13.244 2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.067 10.815 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.896 11.792 3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.642 8.590 3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.450 9.548 4.215 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.736 7.167 4.113 1.00 0.00 H new ATOM 50 N GLY A 4 -12.968 15.561 2.123 1.00 0.00 N ATOM 51 CA GLY A 4 -13.148 16.900 1.591 1.00 0.00 C ATOM 52 C GLY A 4 -12.350 17.146 0.314 1.00 0.00 C ATOM 53 O GLY A 4 -11.858 18.257 0.125 1.00 0.00 O ATOM 0 H GLY A 4 -13.721 14.919 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.206 17.066 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.850 17.628 2.345 1.00 0.00 H new ATOM 57 N ARG A 5 -12.229 16.124 -0.543 1.00 0.00 N ATOM 58 CA ARG A 5 -11.488 16.156 -1.806 1.00 0.00 C ATOM 59 C ARG A 5 -10.285 17.102 -1.774 1.00 0.00 C ATOM 60 O ARG A 5 -10.186 18.017 -2.590 1.00 0.00 O ATOM 61 CB ARG A 5 -12.412 16.368 -3.015 1.00 0.00 C ATOM 62 CG ARG A 5 -13.566 17.349 -2.794 1.00 0.00 C ATOM 63 CD ARG A 5 -13.141 18.815 -2.764 1.00 0.00 C ATOM 64 NE ARG A 5 -12.606 19.245 -4.064 1.00 0.00 N ATOM 65 CZ ARG A 5 -11.883 20.352 -4.249 1.00 0.00 C ATOM 66 NH1 ARG A 5 -11.599 21.165 -3.235 1.00 0.00 N ATOM 67 NH2 ARG A 5 -11.439 20.654 -5.466 1.00 0.00 N ATOM 0 H ARG A 5 -12.662 15.218 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.054 15.165 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.811 16.723 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.828 15.404 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.302 17.211 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.060 17.106 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.995 19.438 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.386 18.961 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.800 18.660 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.935 20.947 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.045 22.006 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.651 20.041 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.886 21.499 -5.612 1.00 0.00 H new ATOM 81 N PRO A 6 -9.356 16.889 -0.829 1.00 0.00 N ATOM 82 CA PRO A 6 -8.201 17.748 -0.641 1.00 0.00 C ATOM 83 C PRO A 6 -7.265 17.622 -1.843 1.00 0.00 C ATOM 84 O PRO A 6 -7.185 16.549 -2.440 1.00 0.00 O ATOM 85 CB PRO A 6 -7.547 17.249 0.650 1.00 0.00 C ATOM 86 CG PRO A 6 -7.960 15.777 0.721 1.00 0.00 C ATOM 87 CD PRO A 6 -9.358 15.788 0.114 1.00 0.00 C ATOM 0 HA PRO A 6 -8.459 18.804 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.463 17.360 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.899 17.806 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.280 15.139 0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.967 15.408 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.578 14.844 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.119 15.929 0.881 1.00 0.00 H new ATOM 95 N PRO A 7 -6.558 18.702 -2.206 1.00 0.00 N ATOM 96 CA PRO A 7 -5.665 18.729 -3.349 1.00 0.00 C ATOM 97 C PRO A 7 -4.390 17.933 -3.057 1.00 0.00 C ATOM 98 O PRO A 7 -3.610 18.314 -2.184 1.00 0.00 O ATOM 99 CB PRO A 7 -5.360 20.210 -3.577 1.00 0.00 C ATOM 100 CG PRO A 7 -5.484 20.818 -2.180 1.00 0.00 C ATOM 101 CD PRO A 7 -6.590 19.986 -1.532 1.00 0.00 C ATOM 0 HA PRO A 7 -6.109 18.271 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.362 20.355 -3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.064 20.662 -4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.549 20.746 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.748 21.875 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.418 19.871 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.562 20.466 -1.649 1.00 0.00 H new ATOM 109 N PRO A 8 -4.158 16.828 -3.776 1.00 0.00 N ATOM 110 CA PRO A 8 -2.970 16.006 -3.655 1.00 0.00 C ATOM 111 C PRO A 8 -1.864 16.537 -4.573 1.00 0.00 C ATOM 112 O PRO A 8 -1.924 17.679 -5.027 1.00 0.00 O ATOM 113 CB PRO A 8 -3.448 14.631 -4.111 1.00 0.00 C ATOM 114 CG PRO A 8 -4.362 14.991 -5.276 1.00 0.00 C ATOM 115 CD PRO A 8 -5.046 16.267 -4.782 1.00 0.00 C ATOM 0 HA PRO A 8 -2.549 15.994 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.621 13.993 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.981 14.101 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.800 15.162 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.082 14.200 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.202 16.969 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.026 16.047 -4.359 1.00 0.00 H new ATOM 123 N ASP A 9 -0.850 15.709 -4.850 1.00 0.00 N ATOM 124 CA ASP A 9 0.253 16.065 -5.732 1.00 0.00 C ATOM 125 C ASP A 9 0.564 14.930 -6.714 1.00 0.00 C ATOM 126 O ASP A 9 1.711 14.718 -7.103 1.00 0.00 O ATOM 127 CB ASP A 9 1.469 16.515 -4.917 1.00 0.00 C ATOM 128 CG ASP A 9 2.050 15.410 -4.035 1.00 0.00 C ATOM 129 OD1 ASP A 9 1.304 14.919 -3.158 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.237 15.068 -4.240 1.00 0.00 O ATOM 0 H ASP A 9 -0.777 14.768 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.042 16.917 -6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.242 16.871 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.184 17.359 -4.289 1.00 0.00 H new ATOM 135 N VAL A 10 -0.488 14.203 -7.109 1.00 0.00 N ATOM 136 CA VAL A 10 -0.429 13.063 -8.022 1.00 0.00 C ATOM 137 C VAL A 10 0.025 13.439 -9.434 1.00 0.00 C ATOM 138 O VAL A 10 0.006 12.592 -10.327 1.00 0.00 O ATOM 139 CB VAL A 10 -1.802 12.385 -8.095 1.00 0.00 C ATOM 140 CG1 VAL A 10 -2.327 12.083 -6.698 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.820 13.272 -8.804 1.00 0.00 C ATOM 0 H VAL A 10 -1.436 14.402 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 10 0.319 12.381 -7.618 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.671 11.460 -8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.302 11.602 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.633 11.418 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.422 13.012 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.783 12.763 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.925 14.211 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.480 13.477 -9.819 1.00 0.00 H new ATOM 151 N GLU A 11 0.430 14.694 -9.650 1.00 0.00 N ATOM 152 CA GLU A 11 0.785 15.221 -10.962 1.00 0.00 C ATOM 153 C GLU A 11 2.033 14.563 -11.559 1.00 0.00 C ATOM 154 O GLU A 11 2.474 14.953 -12.640 1.00 0.00 O ATOM 155 CB GLU A 11 0.987 16.734 -10.856 1.00 0.00 C ATOM 156 CG GLU A 11 -0.251 17.438 -10.292 1.00 0.00 C ATOM 157 CD GLU A 11 -1.488 17.235 -11.163 1.00 0.00 C ATOM 158 OE1 GLU A 11 -1.371 17.412 -12.397 1.00 0.00 O ATOM 159 OE2 GLU A 11 -2.549 16.902 -10.587 1.00 0.00 O ATOM 0 H GLU A 11 0.520 15.381 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.037 14.990 -11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.845 16.942 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.218 17.139 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.452 17.063 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.047 18.505 -10.199 1.00 0.00 H new ATOM 166 N GLY A 12 2.612 13.571 -10.875 1.00 0.00 N ATOM 167 CA GLY A 12 3.787 12.863 -11.369 1.00 0.00 C ATOM 168 C GLY A 12 4.414 11.920 -10.333 1.00 0.00 C ATOM 169 O GLY A 12 5.309 11.150 -10.685 1.00 0.00 O ATOM 0 H GLY A 12 2.278 13.241 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.510 12.287 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.534 13.591 -11.685 1.00 0.00 H new ATOM 173 N MET A 13 3.968 11.966 -9.073 1.00 0.00 N ATOM 174 CA MET A 13 4.519 11.114 -8.024 1.00 0.00 C ATOM 175 C MET A 13 4.226 9.635 -8.279 1.00 0.00 C ATOM 176 O MET A 13 3.441 9.292 -9.161 1.00 0.00 O ATOM 177 CB MET A 13 3.985 11.589 -6.674 1.00 0.00 C ATOM 178 CG MET A 13 2.548 11.137 -6.410 1.00 0.00 C ATOM 179 SD MET A 13 1.766 12.057 -5.065 1.00 0.00 S ATOM 180 CE MET A 13 0.476 10.884 -4.596 1.00 0.00 C ATOM 0 H MET A 13 3.224 12.588 -8.758 1.00 0.00 H new ATOM 0 HA MET A 13 5.606 11.200 -8.022 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.631 11.212 -5.881 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.032 12.677 -6.633 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.960 11.260 -7.319 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.544 10.074 -6.169 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.411 11.429 -4.273 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.225 10.257 -5.452 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.834 10.257 -3.780 1.00 0.00 H new ATOM 190 N THR A 14 4.861 8.748 -7.501 1.00 0.00 N ATOM 191 CA THR A 14 4.819 7.304 -7.736 1.00 0.00 C ATOM 192 C THR A 14 3.401 6.723 -7.720 1.00 0.00 C ATOM 193 O THR A 14 3.159 5.699 -8.358 1.00 0.00 O ATOM 194 CB THR A 14 5.729 6.607 -6.720 1.00 0.00 C ATOM 195 OG1 THR A 14 7.071 6.878 -7.054 1.00 0.00 O ATOM 196 CG2 THR A 14 5.531 5.093 -6.733 1.00 0.00 C ATOM 0 H THR A 14 5.419 9.015 -6.690 1.00 0.00 H new ATOM 0 HA THR A 14 5.185 7.119 -8.746 1.00 0.00 H new ATOM 0 HB THR A 14 5.480 6.983 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.506 7.343 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.193 4.633 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.496 4.859 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.762 4.704 -7.725 1.00 0.00 H new ATOM 203 N SER A 15 2.466 7.359 -7.010 1.00 0.00 N ATOM 204 CA SER A 15 1.064 6.948 -6.927 1.00 0.00 C ATOM 205 C SER A 15 0.859 5.441 -6.738 1.00 0.00 C ATOM 206 O SER A 15 -0.079 4.875 -7.293 1.00 0.00 O ATOM 207 CB SER A 15 0.305 7.453 -8.155 1.00 0.00 C ATOM 208 OG SER A 15 0.334 8.868 -8.197 1.00 0.00 O ATOM 0 H SER A 15 2.669 8.196 -6.463 1.00 0.00 H new ATOM 0 HA SER A 15 0.661 7.405 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.752 7.045 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.727 7.103 -8.124 1.00 0.00 H new ATOM 0 HG SER A 15 1.229 9.169 -8.460 1.00 0.00 H new ATOM 214 N LEU A 16 1.724 4.780 -5.960 1.00 0.00 N ATOM 215 CA LEU A 16 1.563 3.346 -5.694 1.00 0.00 C ATOM 216 C LEU A 16 0.255 3.156 -4.931 1.00 0.00 C ATOM 217 O LEU A 16 -0.023 3.923 -4.010 1.00 0.00 O ATOM 218 CB LEU A 16 2.803 2.851 -4.936 1.00 0.00 C ATOM 219 CG LEU A 16 2.778 1.440 -4.325 1.00 0.00 C ATOM 220 CD1 LEU A 16 1.892 1.340 -3.081 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.376 0.384 -5.344 1.00 0.00 C ATOM 0 H LEU A 16 2.532 5.208 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 16 1.495 2.751 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.650 2.901 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.002 3.557 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 16 3.803 1.244 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.917 0.320 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.260 2.024 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.867 1.605 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.372 -0.597 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.379 0.607 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.088 0.385 -6.169 1.00 0.00 H new ATOM 233 N LYS A 17 -0.547 2.152 -5.303 1.00 0.00 N ATOM 234 CA LYS A 17 -1.893 2.007 -4.755 1.00 0.00 C ATOM 235 C LYS A 17 -2.153 0.597 -4.255 1.00 0.00 C ATOM 236 O LYS A 17 -1.522 -0.357 -4.706 1.00 0.00 O ATOM 237 CB LYS A 17 -2.910 2.447 -5.816 1.00 0.00 C ATOM 238 CG LYS A 17 -2.881 1.532 -7.050 1.00 0.00 C ATOM 239 CD LYS A 17 -3.960 0.454 -6.949 1.00 0.00 C ATOM 240 CE LYS A 17 -3.593 -0.740 -7.828 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.621 -1.793 -7.740 1.00 0.00 N ATOM 0 H LYS A 17 -0.286 1.433 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.997 2.650 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.911 2.443 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.698 3.472 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.035 2.124 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.900 1.065 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.068 0.133 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.922 0.861 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.486 -0.416 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.628 -1.141 -7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.162 -2.715 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.255 -1.593 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.172 -1.814 -8.622 1.00 0.00 H new ATOM 255 N VAL A 18 -3.090 0.461 -3.312 1.00 0.00 N ATOM 256 CA VAL A 18 -3.364 -0.835 -2.687 1.00 0.00 C ATOM 257 C VAL A 18 -4.860 -1.104 -2.605 1.00 0.00 C ATOM 258 O VAL A 18 -5.660 -0.169 -2.640 1.00 0.00 O ATOM 259 CB VAL A 18 -2.732 -0.934 -1.288 1.00 0.00 C ATOM 260 CG1 VAL A 18 -1.490 -0.051 -1.158 1.00 0.00 C ATOM 261 CG2 VAL A 18 -3.729 -0.562 -0.197 1.00 0.00 C ATOM 0 H VAL A 18 -3.668 1.227 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.909 -1.596 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.435 -1.975 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.076 -0.151 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.745 -0.361 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.763 0.989 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.249 -0.643 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.070 0.462 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.583 -1.239 -0.238 1.00 0.00 H new ATOM 271 N ASP A 19 -5.225 -2.384 -2.490 1.00 0.00 N ATOM 272 CA ASP A 19 -6.609 -2.840 -2.447 1.00 0.00 C ATOM 273 C ASP A 19 -6.717 -4.183 -1.713 1.00 0.00 C ATOM 274 O ASP A 19 -5.726 -4.664 -1.162 1.00 0.00 O ATOM 275 CB ASP A 19 -7.105 -3.024 -3.885 1.00 0.00 C ATOM 276 CG ASP A 19 -6.967 -1.744 -4.698 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.863 -0.878 -4.565 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.967 -1.641 -5.437 1.00 0.00 O ATOM 0 H ASP A 19 -4.549 -3.145 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.210 -2.101 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.540 -3.823 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.149 -3.336 -3.872 1.00 0.00 H new ATOM 283 N ASN A 20 -7.925 -4.773 -1.720 1.00 0.00 N ATOM 284 CA ASN A 20 -8.209 -6.148 -1.298 1.00 0.00 C ATOM 285 C ASN A 20 -8.713 -6.241 0.145 1.00 0.00 C ATOM 286 O ASN A 20 -8.516 -7.259 0.808 1.00 0.00 O ATOM 287 CB ASN A 20 -6.997 -7.050 -1.538 1.00 0.00 C ATOM 288 CG ASN A 20 -7.403 -8.467 -1.896 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.469 -8.701 -2.452 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.552 -9.435 -1.575 1.00 0.00 N ATOM 0 H ASN A 20 -8.762 -4.281 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.029 -6.507 -1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.389 -6.634 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.375 -7.067 -0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.779 -10.406 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.672 -9.208 -1.112 1.00 0.00 H new ATOM 297 N LEU A 21 -9.363 -5.180 0.628 1.00 0.00 N ATOM 298 CA LEU A 21 -9.831 -5.054 2.003 1.00 0.00 C ATOM 299 C LEU A 21 -10.768 -6.207 2.336 1.00 0.00 C ATOM 300 O LEU A 21 -11.825 -6.347 1.726 1.00 0.00 O ATOM 301 CB LEU A 21 -10.583 -3.727 2.167 1.00 0.00 C ATOM 302 CG LEU A 21 -9.705 -2.471 2.214 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.304 -2.196 3.656 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.437 -2.563 1.361 1.00 0.00 C ATOM 0 H LEU A 21 -9.582 -4.365 0.055 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.975 -5.077 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.288 -3.625 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.170 -3.773 3.084 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.306 -1.662 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.679 -1.304 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.199 -2.040 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.747 -3.047 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.871 -1.635 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.825 -3.395 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.711 -2.724 0.318 1.00 0.00 H new ATOM 316 N THR A 22 -10.379 -7.029 3.307 1.00 0.00 N ATOM 317 CA THR A 22 -11.214 -8.115 3.782 1.00 0.00 C ATOM 318 C THR A 22 -12.401 -7.549 4.565 1.00 0.00 C ATOM 319 O THR A 22 -12.412 -6.370 4.918 1.00 0.00 O ATOM 320 CB THR A 22 -10.357 -9.060 4.628 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.149 -9.312 3.956 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.041 -10.403 4.866 1.00 0.00 C ATOM 0 H THR A 22 -9.479 -6.957 3.781 1.00 0.00 H new ATOM 0 HA THR A 22 -11.622 -8.684 2.947 1.00 0.00 H new ATOM 0 HB THR A 22 -10.194 -8.574 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.438 -9.475 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.394 -11.039 5.471 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.984 -10.243 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.234 -10.888 3.909 1.00 0.00 H new ATOM 329 N TYR A 23 -13.403 -8.387 4.839 1.00 0.00 N ATOM 330 CA TYR A 23 -14.635 -8.020 5.530 1.00 0.00 C ATOM 331 C TYR A 23 -14.420 -7.540 6.973 1.00 0.00 C ATOM 332 O TYR A 23 -15.386 -7.388 7.719 1.00 0.00 O ATOM 333 CB TYR A 23 -15.577 -9.227 5.507 1.00 0.00 C ATOM 334 CG TYR A 23 -15.066 -10.432 6.274 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.250 -11.378 5.631 1.00 0.00 C ATOM 336 CD2 TYR A 23 -15.408 -10.603 7.625 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.776 -12.492 6.336 1.00 0.00 C ATOM 338 CE2 TYR A 23 -14.934 -11.715 8.334 1.00 0.00 C ATOM 339 CZ TYR A 23 -14.115 -12.665 7.692 1.00 0.00 C ATOM 340 OH TYR A 23 -13.648 -13.746 8.377 1.00 0.00 O ATOM 0 H TYR A 23 -13.375 -9.372 4.576 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.067 -7.169 5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.540 -8.929 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.751 -9.517 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.988 -11.246 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.037 -9.877 8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.150 -13.219 5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.197 -11.844 9.374 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.974 -13.714 9.301 1.00 0.00 H new ATOM 350 N ARG A 24 -13.167 -7.301 7.376 1.00 0.00 N ATOM 351 CA ARG A 24 -12.809 -6.925 8.738 1.00 0.00 C ATOM 352 C ARG A 24 -11.906 -5.690 8.763 1.00 0.00 C ATOM 353 O ARG A 24 -11.249 -5.426 9.766 1.00 0.00 O ATOM 354 CB ARG A 24 -12.122 -8.124 9.393 1.00 0.00 C ATOM 355 CG ARG A 24 -10.775 -8.383 8.708 1.00 0.00 C ATOM 356 CD ARG A 24 -10.204 -9.704 9.206 1.00 0.00 C ATOM 357 NE ARG A 24 -8.841 -9.924 8.700 1.00 0.00 N ATOM 358 CZ ARG A 24 -7.886 -10.578 9.369 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.134 -11.128 10.555 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.669 -10.687 8.847 1.00 0.00 N ATOM 0 H ARG A 24 -12.364 -7.366 6.751 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.709 -6.659 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.970 -7.933 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.757 -9.007 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.904 -8.414 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.082 -7.570 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.195 -9.710 10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.848 -10.524 8.888 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.609 -9.553 7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.064 -11.054 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.394 -11.624 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.465 -10.272 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.939 -11.185 9.356 1.00 0.00 H new ATOM 374 N THR A 25 -11.876 -4.940 7.662 1.00 0.00 N ATOM 375 CA THR A 25 -10.950 -3.819 7.504 1.00 0.00 C ATOM 376 C THR A 25 -11.693 -2.536 7.125 1.00 0.00 C ATOM 377 O THR A 25 -12.883 -2.565 6.819 1.00 0.00 O ATOM 378 CB THR A 25 -9.885 -4.186 6.456 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.590 -5.564 6.525 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.590 -3.424 6.720 1.00 0.00 C ATOM 0 H THR A 25 -12.488 -5.090 6.860 1.00 0.00 H new ATOM 0 HA THR A 25 -10.455 -3.626 8.456 1.00 0.00 H new ATOM 0 HB THR A 25 -10.282 -3.927 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.913 -5.788 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.848 -3.696 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.782 -2.352 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.214 -3.679 7.711 1.00 0.00 H new ATOM 387 N SER A 26 -10.985 -1.400 7.147 1.00 0.00 N ATOM 388 CA SER A 26 -11.537 -0.082 6.849 1.00 0.00 C ATOM 389 C SER A 26 -10.424 0.823 6.309 1.00 0.00 C ATOM 390 O SER A 26 -9.249 0.496 6.470 1.00 0.00 O ATOM 391 CB SER A 26 -12.110 0.500 8.146 1.00 0.00 C ATOM 392 OG SER A 26 -11.071 0.762 9.062 1.00 0.00 O ATOM 0 H SER A 26 -9.992 -1.376 7.378 1.00 0.00 H new ATOM 0 HA SER A 26 -12.323 -0.154 6.098 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.656 1.419 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.823 -0.199 8.583 1.00 0.00 H new ATOM 0 HG SER A 26 -11.448 1.135 9.886 1.00 0.00 H new ATOM 398 N PRO A 27 -10.755 1.954 5.669 1.00 0.00 N ATOM 399 CA PRO A 27 -9.761 2.844 5.090 1.00 0.00 C ATOM 400 C PRO A 27 -8.948 3.562 6.168 1.00 0.00 C ATOM 401 O PRO A 27 -7.792 3.914 5.931 1.00 0.00 O ATOM 402 CB PRO A 27 -10.548 3.835 4.239 1.00 0.00 C ATOM 403 CG PRO A 27 -11.920 3.875 4.912 1.00 0.00 C ATOM 404 CD PRO A 27 -12.097 2.455 5.437 1.00 0.00 C ATOM 0 HA PRO A 27 -9.033 2.291 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.077 4.818 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.619 3.506 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.951 4.608 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.706 4.143 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.683 2.447 6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.628 1.834 4.716 1.00 0.00 H new ATOM 412 N ASP A 28 -9.525 3.782 7.352 1.00 0.00 N ATOM 413 CA ASP A 28 -8.782 4.406 8.441 1.00 0.00 C ATOM 414 C ASP A 28 -7.683 3.468 8.920 1.00 0.00 C ATOM 415 O ASP A 28 -6.615 3.914 9.339 1.00 0.00 O ATOM 416 CB ASP A 28 -9.716 4.719 9.603 1.00 0.00 C ATOM 417 CG ASP A 28 -8.975 5.443 10.726 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.767 6.668 10.584 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.625 4.764 11.718 1.00 0.00 O ATOM 0 H ASP A 28 -10.490 3.540 7.576 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.339 5.333 8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.543 5.336 9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.148 3.794 9.985 1.00 0.00 H new ATOM 424 N THR A 29 -7.942 2.160 8.859 1.00 0.00 N ATOM 425 CA THR A 29 -6.943 1.185 9.255 1.00 0.00 C ATOM 426 C THR A 29 -5.896 1.092 8.157 1.00 0.00 C ATOM 427 O THR A 29 -4.704 1.112 8.444 1.00 0.00 O ATOM 428 CB THR A 29 -7.596 -0.176 9.495 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.563 -0.068 10.512 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.531 -1.179 9.934 1.00 0.00 C ATOM 0 H THR A 29 -8.826 1.762 8.542 1.00 0.00 H new ATOM 0 HA THR A 29 -6.469 1.496 10.186 1.00 0.00 H new ATOM 0 HB THR A 29 -8.069 -0.512 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.420 0.203 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.995 -2.150 10.106 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.774 -1.271 9.155 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.063 -0.833 10.855 1.00 0.00 H new ATOM 437 N LEU A 30 -6.334 0.995 6.900 1.00 0.00 N ATOM 438 CA LEU A 30 -5.423 0.921 5.768 1.00 0.00 C ATOM 439 C LEU A 30 -4.479 2.123 5.728 1.00 0.00 C ATOM 440 O LEU A 30 -3.431 2.061 5.090 1.00 0.00 O ATOM 441 CB LEU A 30 -6.250 0.814 4.480 1.00 0.00 C ATOM 442 CG LEU A 30 -6.086 -0.528 3.754 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.740 -0.592 3.045 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.205 -1.718 4.705 1.00 0.00 C ATOM 0 H LEU A 30 -7.321 0.966 6.645 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.792 0.038 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.303 0.961 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.962 1.620 3.805 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.895 -0.590 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.642 -1.551 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.675 0.215 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.938 -0.486 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.082 -2.645 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.432 -1.651 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.186 -1.708 5.179 1.00 0.00 H new ATOM 456 N ARG A 31 -4.846 3.214 6.409 1.00 0.00 N ATOM 457 CA ARG A 31 -4.012 4.399 6.479 1.00 0.00 C ATOM 458 C ARG A 31 -2.910 4.130 7.490 1.00 0.00 C ATOM 459 O ARG A 31 -1.731 4.240 7.172 1.00 0.00 O ATOM 460 CB ARG A 31 -4.869 5.587 6.926 1.00 0.00 C ATOM 461 CG ARG A 31 -4.232 6.959 6.656 1.00 0.00 C ATOM 462 CD ARG A 31 -2.848 7.138 7.282 1.00 0.00 C ATOM 463 NE ARG A 31 -2.439 8.548 7.263 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.820 9.458 8.164 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.627 9.131 9.171 1.00 0.00 N ATOM 466 NH2 ARG A 31 -2.399 10.713 8.060 1.00 0.00 N ATOM 0 H ARG A 31 -5.725 3.292 6.921 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.575 4.632 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.831 5.539 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.069 5.495 7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.154 7.106 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.894 7.737 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.860 6.773 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.119 6.537 6.739 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.822 8.854 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.964 8.173 9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.908 9.839 9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.784 10.983 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.690 11.407 8.748 1.00 0.00 H new ATOM 480 N ARG A 32 -3.305 3.771 8.714 1.00 0.00 N ATOM 481 CA ARG A 32 -2.401 3.525 9.824 1.00 0.00 C ATOM 482 C ARG A 32 -1.472 2.346 9.523 1.00 0.00 C ATOM 483 O ARG A 32 -0.336 2.317 9.991 1.00 0.00 O ATOM 484 CB ARG A 32 -3.287 3.275 11.052 1.00 0.00 C ATOM 485 CG ARG A 32 -2.913 2.014 11.827 1.00 0.00 C ATOM 486 CD ARG A 32 -4.054 1.612 12.749 1.00 0.00 C ATOM 487 NE ARG A 32 -4.421 2.691 13.681 1.00 0.00 N ATOM 488 CZ ARG A 32 -5.505 3.464 13.563 1.00 0.00 C ATOM 489 NH1 ARG A 32 -6.360 3.302 12.557 1.00 0.00 N ATOM 490 NH2 ARG A 32 -5.736 4.414 14.461 1.00 0.00 N ATOM 0 H ARG A 32 -4.287 3.642 8.959 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.742 4.374 10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.221 4.135 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.326 3.200 10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.692 1.203 11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.009 2.190 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.923 1.339 12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.766 0.727 13.316 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.803 2.861 14.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.194 2.578 11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.182 3.902 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.088 4.551 15.236 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.562 5.007 14.376 1.00 0.00 H new ATOM 504 N VAL A 33 -1.959 1.376 8.743 1.00 0.00 N ATOM 505 CA VAL A 33 -1.232 0.144 8.485 1.00 0.00 C ATOM 506 C VAL A 33 -0.196 0.324 7.383 1.00 0.00 C ATOM 507 O VAL A 33 0.853 -0.317 7.422 1.00 0.00 O ATOM 508 CB VAL A 33 -2.239 -0.948 8.107 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.538 -2.221 7.638 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.090 -1.284 9.329 1.00 0.00 C ATOM 0 H VAL A 33 -2.865 1.429 8.278 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.690 -0.144 9.386 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.855 -0.571 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.284 -2.973 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.927 -1.999 6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.902 -2.602 8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.810 -2.060 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.447 -1.640 10.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.622 -0.392 9.658 1.00 0.00 H new ATOM 520 N PHE A 34 -0.471 1.184 6.399 1.00 0.00 N ATOM 521 CA PHE A 34 0.459 1.443 5.312 1.00 0.00 C ATOM 522 C PHE A 34 1.269 2.724 5.544 1.00 0.00 C ATOM 523 O PHE A 34 2.234 2.974 4.827 1.00 0.00 O ATOM 524 CB PHE A 34 -0.326 1.480 4.003 1.00 0.00 C ATOM 525 CG PHE A 34 -0.511 0.124 3.356 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.500 -0.744 3.835 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.297 -0.275 2.279 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.704 -1.988 3.221 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.104 -1.525 1.671 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.908 -2.377 2.133 1.00 0.00 C ATOM 0 H PHE A 34 -1.340 1.714 6.339 1.00 0.00 H new ATOM 0 HA PHE A 34 1.195 0.641 5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.306 1.918 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.187 2.138 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.107 -0.454 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.072 0.384 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.476 -2.649 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.734 -1.830 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.075 -3.330 1.653 1.00 0.00 H new ATOM 540 N GLU A 35 0.896 3.545 6.531 1.00 0.00 N ATOM 541 CA GLU A 35 1.629 4.759 6.857 1.00 0.00 C ATOM 542 C GLU A 35 2.957 4.449 7.541 1.00 0.00 C ATOM 543 O GLU A 35 3.901 5.226 7.433 1.00 0.00 O ATOM 544 CB GLU A 35 0.752 5.633 7.754 1.00 0.00 C ATOM 545 CG GLU A 35 1.494 6.844 8.316 1.00 0.00 C ATOM 546 CD GLU A 35 0.547 7.792 9.043 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.084 7.339 10.024 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.461 8.966 8.616 1.00 0.00 O ATOM 0 H GLU A 35 0.080 3.382 7.121 1.00 0.00 H new ATOM 0 HA GLU A 35 1.864 5.289 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.113 5.975 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.372 5.031 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.272 6.509 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.991 7.376 7.505 1.00 0.00 H new ATOM 555 N LYS A 36 3.051 3.317 8.247 1.00 0.00 N ATOM 556 CA LYS A 36 4.264 2.970 8.975 1.00 0.00 C ATOM 557 C LYS A 36 5.431 2.675 8.034 1.00 0.00 C ATOM 558 O LYS A 36 6.592 2.771 8.434 1.00 0.00 O ATOM 559 CB LYS A 36 3.987 1.784 9.897 1.00 0.00 C ATOM 560 CG LYS A 36 3.680 0.496 9.134 1.00 0.00 C ATOM 561 CD LYS A 36 3.255 -0.582 10.134 1.00 0.00 C ATOM 562 CE LYS A 36 2.966 -1.901 9.420 1.00 0.00 C ATOM 563 NZ LYS A 36 4.200 -2.515 8.892 1.00 0.00 N ATOM 0 H LYS A 36 2.301 2.631 8.326 1.00 0.00 H new ATOM 0 HA LYS A 36 4.558 3.830 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.851 1.621 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.146 2.024 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.887 0.669 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.558 0.169 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.042 -0.729 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.367 -0.254 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.483 -2.591 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.267 -1.727 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.238 -2.386 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.028 -2.061 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.205 -3.531 9.114 1.00 0.00 H new ATOM 577 N TYR A 37 5.133 2.314 6.783 1.00 0.00 N ATOM 578 CA TYR A 37 6.151 2.071 5.770 1.00 0.00 C ATOM 579 C TYR A 37 6.768 3.380 5.285 1.00 0.00 C ATOM 580 O TYR A 37 7.852 3.366 4.706 1.00 0.00 O ATOM 581 CB TYR A 37 5.538 1.317 4.593 1.00 0.00 C ATOM 582 CG TYR A 37 5.107 -0.079 4.976 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.858 -0.278 5.584 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.955 -1.171 4.736 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.465 -1.569 5.965 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.565 -2.462 5.119 1.00 0.00 C ATOM 587 CZ TYR A 37 4.319 -2.665 5.740 1.00 0.00 C ATOM 588 OH TYR A 37 3.944 -3.917 6.129 1.00 0.00 O ATOM 0 H TYR A 37 4.178 2.183 6.449 1.00 0.00 H new ATOM 0 HA TYR A 37 6.942 1.468 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.678 1.871 4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.263 1.262 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.201 0.561 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.910 -1.017 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.504 -1.723 6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.221 -3.301 4.937 1.00 0.00 H new ATOM 0 HH TYR A 37 4.649 -4.557 5.897 1.00 0.00 H new ATOM 598 N GLY A 38 6.089 4.507 5.516 1.00 0.00 N ATOM 599 CA GLY A 38 6.636 5.811 5.184 1.00 0.00 C ATOM 600 C GLY A 38 5.587 6.910 5.284 1.00 0.00 C ATOM 601 O GLY A 38 5.549 7.635 6.278 1.00 0.00 O ATOM 0 H GLY A 38 5.158 4.535 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.465 6.038 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.042 5.788 4.173 1.00 0.00 H new ATOM 605 N ARG A 39 4.735 7.032 4.259 1.00 0.00 N ATOM 606 CA ARG A 39 3.696 8.047 4.204 1.00 0.00 C ATOM 607 C ARG A 39 2.593 7.628 3.233 1.00 0.00 C ATOM 608 O ARG A 39 2.780 6.716 2.427 1.00 0.00 O ATOM 609 CB ARG A 39 4.321 9.387 3.798 1.00 0.00 C ATOM 610 CG ARG A 39 5.306 9.213 2.639 1.00 0.00 C ATOM 611 CD ARG A 39 5.813 10.560 2.132 1.00 0.00 C ATOM 612 NE ARG A 39 6.623 11.249 3.146 1.00 0.00 N ATOM 613 CZ ARG A 39 7.761 11.903 2.888 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.250 11.975 1.653 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.422 12.493 3.880 1.00 0.00 N ATOM 0 H ARG A 39 4.754 6.421 3.443 1.00 0.00 H new ATOM 0 HA ARG A 39 3.239 8.159 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.535 10.084 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.836 9.824 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.149 8.604 2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.821 8.675 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.408 10.410 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.966 11.187 1.854 1.00 0.00 H new ATOM 0 HE ARG A 39 6.295 11.227 4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.756 11.527 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.119 12.479 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.061 12.446 4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.290 12.993 3.688 1.00 0.00 H new ATOM 629 N VAL A 40 1.452 8.308 3.321 1.00 0.00 N ATOM 630 CA VAL A 40 0.287 8.054 2.479 1.00 0.00 C ATOM 631 C VAL A 40 -0.237 9.391 1.972 1.00 0.00 C ATOM 632 O VAL A 40 -0.283 10.363 2.724 1.00 0.00 O ATOM 633 CB VAL A 40 -0.792 7.318 3.284 1.00 0.00 C ATOM 634 CG1 VAL A 40 -2.067 7.129 2.461 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.290 5.941 3.725 1.00 0.00 C ATOM 0 H VAL A 40 1.309 9.064 3.991 1.00 0.00 H new ATOM 0 HA VAL A 40 0.561 7.424 1.633 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.015 7.931 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.812 6.604 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.458 8.103 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.841 6.545 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.069 5.435 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.039 5.347 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.596 6.059 4.349 1.00 0.00 H new ATOM 645 N GLY A 41 -0.626 9.438 0.699 1.00 0.00 N ATOM 646 CA GLY A 41 -1.127 10.657 0.083 1.00 0.00 C ATOM 647 C GLY A 41 -2.644 10.609 -0.009 1.00 0.00 C ATOM 648 O GLY A 41 -3.298 11.653 -0.021 1.00 0.00 O ATOM 0 H GLY A 41 -0.602 8.634 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.817 11.523 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.698 10.774 -0.912 1.00 0.00 H new ATOM 652 N ASP A 42 -3.208 9.400 -0.070 1.00 0.00 N ATOM 653 CA ASP A 42 -4.647 9.229 -0.011 1.00 0.00 C ATOM 654 C ASP A 42 -4.996 7.779 0.318 1.00 0.00 C ATOM 655 O ASP A 42 -4.171 6.880 0.159 1.00 0.00 O ATOM 656 CB ASP A 42 -5.264 9.627 -1.358 1.00 0.00 C ATOM 657 CG ASP A 42 -6.786 9.671 -1.293 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.318 9.960 -0.198 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.416 9.419 -2.342 1.00 0.00 O ATOM 0 H ASP A 42 -2.683 8.530 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.051 9.868 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.885 10.604 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.953 8.917 -2.124 1.00 0.00 H new ATOM 664 N VAL A 43 -6.227 7.569 0.775 1.00 0.00 N ATOM 665 CA VAL A 43 -6.782 6.259 1.078 1.00 0.00 C ATOM 666 C VAL A 43 -8.278 6.409 1.301 1.00 0.00 C ATOM 667 O VAL A 43 -8.698 6.989 2.298 1.00 0.00 O ATOM 668 CB VAL A 43 -6.110 5.652 2.316 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.921 6.639 3.466 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.908 4.454 2.833 1.00 0.00 C ATOM 0 H VAL A 43 -6.883 8.330 0.949 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.598 5.583 0.243 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.120 5.345 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.440 6.134 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.296 7.468 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.892 7.020 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.413 4.039 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.914 4.776 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.966 3.692 2.055 1.00 0.00 H new ATOM 680 N TYR A 44 -9.098 5.887 0.385 1.00 0.00 N ATOM 681 CA TYR A 44 -10.536 5.929 0.617 1.00 0.00 C ATOM 682 C TYR A 44 -11.311 4.869 -0.163 1.00 0.00 C ATOM 683 O TYR A 44 -10.736 4.124 -0.960 1.00 0.00 O ATOM 684 CB TYR A 44 -11.060 7.357 0.437 1.00 0.00 C ATOM 685 CG TYR A 44 -11.580 7.775 -0.917 1.00 0.00 C ATOM 686 CD1 TYR A 44 -10.803 7.693 -2.086 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.882 8.284 -0.971 1.00 0.00 C ATOM 688 CE1 TYR A 44 -11.327 8.143 -3.303 1.00 0.00 C ATOM 689 CE2 TYR A 44 -13.403 8.753 -2.181 1.00 0.00 C ATOM 690 CZ TYR A 44 -12.620 8.704 -3.349 1.00 0.00 C ATOM 691 OH TYR A 44 -13.118 9.196 -4.515 1.00 0.00 O ATOM 0 H TYR A 44 -8.804 5.449 -0.488 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.717 5.653 1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.862 7.508 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.255 8.041 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.804 7.284 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.486 8.315 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.741 8.061 -4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.406 9.153 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.022 9.543 -4.364 1.00 0.00 H new ATOM 701 N ILE A 45 -12.625 4.819 0.082 1.00 0.00 N ATOM 702 CA ILE A 45 -13.512 3.790 -0.440 1.00 0.00 C ATOM 703 C ILE A 45 -14.658 4.474 -1.187 1.00 0.00 C ATOM 704 O ILE A 45 -15.718 4.725 -0.618 1.00 0.00 O ATOM 705 CB ILE A 45 -13.991 2.887 0.702 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.754 2.269 1.370 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.919 1.779 0.198 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.103 1.149 2.345 1.00 0.00 C ATOM 0 H ILE A 45 -13.105 5.509 0.660 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.993 3.142 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.561 3.485 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.088 1.879 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.206 3.048 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.237 1.161 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.794 2.225 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.388 1.162 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.188 0.752 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.745 1.540 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.625 0.353 1.813 1.00 0.00 H new ATOM 720 N PRO A 46 -14.432 4.780 -2.468 1.00 0.00 N ATOM 721 CA PRO A 46 -15.321 5.579 -3.290 1.00 0.00 C ATOM 722 C PRO A 46 -16.590 4.842 -3.696 1.00 0.00 C ATOM 723 O PRO A 46 -17.592 5.486 -3.996 1.00 0.00 O ATOM 724 CB PRO A 46 -14.507 5.900 -4.541 1.00 0.00 C ATOM 725 CG PRO A 46 -13.532 4.732 -4.656 1.00 0.00 C ATOM 726 CD PRO A 46 -13.248 4.378 -3.206 1.00 0.00 C ATOM 0 HA PRO A 46 -15.654 6.457 -2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.143 5.977 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.982 6.850 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.969 3.893 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.624 5.016 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.059 3.311 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.363 4.899 -2.841 1.00 0.00 H new ATOM 734 N ARG A 47 -16.565 3.507 -3.712 1.00 0.00 N ATOM 735 CA ARG A 47 -17.722 2.743 -4.143 1.00 0.00 C ATOM 736 C ARG A 47 -18.867 3.002 -3.170 1.00 0.00 C ATOM 737 O ARG A 47 -18.767 2.650 -1.996 1.00 0.00 O ATOM 738 CB ARG A 47 -17.346 1.259 -4.243 1.00 0.00 C ATOM 739 CG ARG A 47 -18.264 0.500 -5.209 1.00 0.00 C ATOM 740 CD ARG A 47 -18.180 1.051 -6.637 1.00 0.00 C ATOM 741 NE ARG A 47 -16.797 1.048 -7.136 1.00 0.00 N ATOM 742 CZ ARG A 47 -16.096 2.131 -7.481 1.00 0.00 C ATOM 743 NH1 ARG A 47 -16.615 3.352 -7.417 1.00 0.00 N ATOM 744 NH2 ARG A 47 -14.847 2.024 -7.904 1.00 0.00 N ATOM 0 H ARG A 47 -15.762 2.944 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.054 3.052 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -16.313 1.168 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.402 0.803 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.993 -0.556 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.293 0.564 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.807 0.451 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.574 2.067 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.334 0.143 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.575 3.482 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.054 4.160 -7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.408 1.106 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.323 2.860 -8.164 1.00 0.00 H new ATOM 758 N ASP A 48 -19.944 3.616 -3.668 1.00 0.00 N ATOM 759 CA ASP A 48 -21.026 4.149 -2.852 1.00 0.00 C ATOM 760 C ASP A 48 -20.460 4.849 -1.615 1.00 0.00 C ATOM 761 O ASP A 48 -20.608 4.375 -0.496 1.00 0.00 O ATOM 762 CB ASP A 48 -22.059 3.077 -2.535 1.00 0.00 C ATOM 763 CG ASP A 48 -22.521 2.352 -3.801 1.00 0.00 C ATOM 764 OD1 ASP A 48 -23.254 2.983 -4.591 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.132 1.173 -3.965 1.00 0.00 O ATOM 0 H ASP A 48 -20.086 3.756 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.565 4.909 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.634 2.356 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.918 3.532 -2.041 1.00 0.00 H new ATOM 770 N ARG A 49 -19.804 5.988 -1.859 1.00 0.00 N ATOM 771 CA ARG A 49 -19.009 6.767 -0.911 1.00 0.00 C ATOM 772 C ARG A 49 -19.709 7.190 0.390 1.00 0.00 C ATOM 773 O ARG A 49 -19.127 7.932 1.178 1.00 0.00 O ATOM 774 CB ARG A 49 -18.447 7.972 -1.680 1.00 0.00 C ATOM 775 CG ARG A 49 -19.474 9.080 -1.864 1.00 0.00 C ATOM 776 CD ARG A 49 -18.901 10.153 -2.784 1.00 0.00 C ATOM 777 NE ARG A 49 -19.732 11.359 -2.760 1.00 0.00 N ATOM 778 CZ ARG A 49 -20.656 11.682 -3.669 1.00 0.00 C ATOM 779 NH1 ARG A 49 -20.911 10.892 -4.707 1.00 0.00 N ATOM 780 NH2 ARG A 49 -21.333 12.821 -3.532 1.00 0.00 N ATOM 0 H ARG A 49 -19.817 6.416 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.222 6.113 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.583 8.368 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.095 7.642 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -20.392 8.673 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -19.734 9.514 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.886 10.400 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.839 9.769 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.594 12.006 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.397 10.019 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -21.621 11.159 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.143 13.435 -2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -22.041 13.079 -4.219 1.00 0.00 H new ATOM 794 N TYR A 50 -20.938 6.734 0.624 1.00 0.00 N ATOM 795 CA TYR A 50 -21.730 7.060 1.806 1.00 0.00 C ATOM 796 C TYR A 50 -22.557 5.855 2.255 1.00 0.00 C ATOM 797 O TYR A 50 -23.391 5.977 3.156 1.00 0.00 O ATOM 798 CB TYR A 50 -22.638 8.242 1.475 1.00 0.00 C ATOM 799 CG TYR A 50 -23.241 8.074 0.105 1.00 0.00 C ATOM 800 CD1 TYR A 50 -24.366 7.269 -0.084 1.00 0.00 C ATOM 801 CD2 TYR A 50 -22.624 8.697 -0.987 1.00 0.00 C ATOM 802 CE1 TYR A 50 -24.838 7.026 -1.382 1.00 0.00 C ATOM 803 CE2 TYR A 50 -23.068 8.448 -2.291 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.188 7.614 -2.492 1.00 0.00 C ATOM 805 OH TYR A 50 -24.639 7.377 -3.755 1.00 0.00 O ATOM 0 H TYR A 50 -21.423 6.111 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 50 -21.065 7.326 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -23.429 8.321 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -22.067 9.170 1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -24.871 6.835 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -21.799 9.375 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -25.698 6.390 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -22.558 8.890 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.078 7.859 -4.398 1.00 0.00 H new ATOM 815 N THR A 51 -22.337 4.688 1.640 1.00 0.00 N ATOM 816 CA THR A 51 -22.956 3.433 2.063 1.00 0.00 C ATOM 817 C THR A 51 -21.859 2.407 2.321 1.00 0.00 C ATOM 818 O THR A 51 -21.947 1.619 3.258 1.00 0.00 O ATOM 819 CB THR A 51 -23.950 2.896 1.023 1.00 0.00 C ATOM 820 OG1 THR A 51 -23.280 2.162 0.028 1.00 0.00 O ATOM 821 CG2 THR A 51 -24.734 4.011 0.340 1.00 0.00 C ATOM 0 H THR A 51 -21.722 4.590 0.832 1.00 0.00 H new ATOM 0 HA THR A 51 -23.523 3.621 2.975 1.00 0.00 H new ATOM 0 HB THR A 51 -24.645 2.258 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 -23.930 1.827 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.423 3.579 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 51 -25.298 4.570 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 51 -24.043 4.682 -0.170 1.00 0.00 H new ATOM 828 N LYS A 52 -20.829 2.444 1.469 1.00 0.00 N ATOM 829 CA LYS A 52 -19.614 1.646 1.522 1.00 0.00 C ATOM 830 C LYS A 52 -19.878 0.168 1.810 1.00 0.00 C ATOM 831 O LYS A 52 -19.000 -0.521 2.326 1.00 0.00 O ATOM 832 CB LYS A 52 -18.658 2.257 2.551 1.00 0.00 C ATOM 833 CG LYS A 52 -18.547 3.780 2.411 1.00 0.00 C ATOM 834 CD LYS A 52 -19.161 4.509 3.615 1.00 0.00 C ATOM 835 CE LYS A 52 -18.411 4.211 4.914 1.00 0.00 C ATOM 836 NZ LYS A 52 -17.034 4.743 4.880 1.00 0.00 N ATOM 0 H LYS A 52 -20.829 3.079 0.671 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.154 1.669 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.003 2.011 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.670 1.811 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.498 4.061 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.050 4.099 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.152 5.583 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.204 4.213 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.950 4.648 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.382 3.134 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.612 4.675 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.465 4.190 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.054 5.739 4.580 1.00 0.00 H new ATOM 850 N GLU A 53 -21.078 -0.321 1.485 1.00 0.00 N ATOM 851 CA GLU A 53 -21.495 -1.676 1.820 1.00 0.00 C ATOM 852 C GLU A 53 -20.665 -2.739 1.105 1.00 0.00 C ATOM 853 O GLU A 53 -20.612 -3.883 1.552 1.00 0.00 O ATOM 854 CB GLU A 53 -22.969 -1.853 1.451 1.00 0.00 C ATOM 855 CG GLU A 53 -23.817 -0.767 2.101 1.00 0.00 C ATOM 856 CD GLU A 53 -25.300 -1.014 1.855 1.00 0.00 C ATOM 857 OE1 GLU A 53 -25.793 -0.579 0.790 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.938 -1.638 2.736 1.00 0.00 O ATOM 0 H GLU A 53 -21.785 0.216 0.982 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.343 -1.811 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.086 -1.814 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.315 -2.835 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.622 -0.741 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.536 0.207 1.702 1.00 0.00 H new ATOM 865 N SER A 54 -20.018 -2.361 0.000 1.00 0.00 N ATOM 866 CA SER A 54 -19.197 -3.276 -0.779 1.00 0.00 C ATOM 867 C SER A 54 -17.852 -3.513 -0.097 1.00 0.00 C ATOM 868 O SER A 54 -17.444 -4.663 0.070 1.00 0.00 O ATOM 869 CB SER A 54 -18.995 -2.666 -2.163 1.00 0.00 C ATOM 870 OG SER A 54 -18.198 -3.519 -2.954 1.00 0.00 O ATOM 0 H SER A 54 -20.052 -1.413 -0.375 1.00 0.00 H new ATOM 0 HA SER A 54 -19.694 -4.242 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.960 -2.507 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.519 -1.690 -2.073 1.00 0.00 H new ATOM 0 HG SER A 54 -18.074 -3.121 -3.841 1.00 0.00 H new ATOM 876 N ARG A 55 -17.177 -2.421 0.290 1.00 0.00 N ATOM 877 CA ARG A 55 -15.888 -2.391 0.977 1.00 0.00 C ATOM 878 C ARG A 55 -14.896 -3.468 0.528 1.00 0.00 C ATOM 879 O ARG A 55 -14.088 -3.934 1.331 1.00 0.00 O ATOM 880 CB ARG A 55 -16.124 -2.444 2.488 1.00 0.00 C ATOM 881 CG ARG A 55 -14.994 -1.726 3.223 1.00 0.00 C ATOM 882 CD ARG A 55 -15.074 -1.963 4.729 1.00 0.00 C ATOM 883 NE ARG A 55 -16.333 -1.480 5.297 1.00 0.00 N ATOM 884 CZ ARG A 55 -16.574 -1.412 6.609 1.00 0.00 C ATOM 885 NH1 ARG A 55 -15.639 -1.781 7.482 1.00 0.00 N ATOM 886 NH2 ARG A 55 -17.751 -0.977 7.048 1.00 0.00 N ATOM 0 H ARG A 55 -17.541 -1.484 0.120 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.407 -1.453 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.079 -1.979 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.182 -3.481 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.033 -2.077 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.045 -0.657 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.970 -3.029 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.240 -1.461 5.219 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.067 -1.179 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.735 -2.117 7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.827 -1.728 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.471 -0.695 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.934 -0.925 8.050 1.00 0.00 H new ATOM 900 N GLY A 56 -14.937 -3.879 -0.740 1.00 0.00 N ATOM 901 CA GLY A 56 -14.035 -4.909 -1.242 1.00 0.00 C ATOM 902 C GLY A 56 -12.605 -4.396 -1.387 1.00 0.00 C ATOM 903 O GLY A 56 -11.691 -5.187 -1.619 1.00 0.00 O ATOM 0 H GLY A 56 -15.586 -3.513 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.047 -5.763 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.392 -5.264 -2.209 1.00 0.00 H new ATOM 907 N PHE A 57 -12.403 -3.081 -1.260 1.00 0.00 N ATOM 908 CA PHE A 57 -11.102 -2.463 -1.445 1.00 0.00 C ATOM 909 C PHE A 57 -11.071 -1.059 -0.847 1.00 0.00 C ATOM 910 O PHE A 57 -12.107 -0.507 -0.478 1.00 0.00 O ATOM 911 CB PHE A 57 -10.794 -2.385 -2.942 1.00 0.00 C ATOM 912 CG PHE A 57 -11.706 -1.468 -3.727 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.066 -1.779 -3.897 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.185 -0.299 -4.304 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.892 -0.928 -4.646 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.014 0.554 -5.049 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.369 0.240 -5.216 1.00 0.00 C ATOM 0 H PHE A 57 -13.144 -2.420 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.353 -3.069 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.765 -2.049 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.857 -3.388 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.475 -2.673 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.141 -0.055 -4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.935 -1.174 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.608 1.451 -5.493 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.010 0.898 -5.784 1.00 0.00 H new ATOM 927 N ALA A 58 -9.864 -0.499 -0.764 1.00 0.00 N ATOM 928 CA ALA A 58 -9.620 0.869 -0.345 1.00 0.00 C ATOM 929 C ALA A 58 -8.360 1.356 -1.047 1.00 0.00 C ATOM 930 O ALA A 58 -7.251 0.999 -0.657 1.00 0.00 O ATOM 931 CB ALA A 58 -9.465 0.952 1.174 1.00 0.00 C ATOM 0 H ALA A 58 -9.009 -1.005 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.466 1.501 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.283 1.986 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.377 0.595 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.624 0.333 1.488 1.00 0.00 H new ATOM 937 N PHE A 59 -8.548 2.164 -2.090 1.00 0.00 N ATOM 938 CA PHE A 59 -7.486 2.665 -2.942 1.00 0.00 C ATOM 939 C PHE A 59 -6.622 3.628 -2.135 1.00 0.00 C ATOM 940 O PHE A 59 -6.924 4.817 -2.018 1.00 0.00 O ATOM 941 CB PHE A 59 -8.112 3.303 -4.185 1.00 0.00 C ATOM 942 CG PHE A 59 -7.146 3.989 -5.128 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.497 3.279 -6.154 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.907 5.363 -4.981 1.00 0.00 C ATOM 945 CE1 PHE A 59 -5.594 3.940 -7.002 1.00 0.00 C ATOM 946 CE2 PHE A 59 -6.021 6.025 -5.839 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.348 5.308 -6.835 1.00 0.00 C ATOM 0 H PHE A 59 -9.472 2.494 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.832 1.865 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.644 2.530 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.855 4.032 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.693 2.226 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.410 5.914 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.089 3.393 -7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.857 7.087 -5.733 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.638 5.811 -7.475 1.00 0.00 H new ATOM 957 N VAL A 60 -5.537 3.088 -1.575 1.00 0.00 N ATOM 958 CA VAL A 60 -4.502 3.886 -0.936 1.00 0.00 C ATOM 959 C VAL A 60 -3.597 4.415 -2.035 1.00 0.00 C ATOM 960 O VAL A 60 -3.600 3.864 -3.137 1.00 0.00 O ATOM 961 CB VAL A 60 -3.706 3.020 0.043 1.00 0.00 C ATOM 962 CG1 VAL A 60 -2.616 3.811 0.764 1.00 0.00 C ATOM 963 CG2 VAL A 60 -4.637 2.461 1.108 1.00 0.00 C ATOM 0 H VAL A 60 -5.356 2.084 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.938 4.711 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.243 2.228 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.080 3.152 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.919 4.220 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.070 4.626 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.066 1.845 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.104 3.283 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.409 1.854 0.634 1.00 0.00 H new ATOM 973 N ARG A 61 -2.833 5.467 -1.741 1.00 0.00 N ATOM 974 CA ARG A 61 -1.913 6.069 -2.692 1.00 0.00 C ATOM 975 C ARG A 61 -0.654 6.544 -1.971 1.00 0.00 C ATOM 976 O ARG A 61 -0.753 7.160 -0.911 1.00 0.00 O ATOM 977 CB ARG A 61 -2.629 7.230 -3.382 1.00 0.00 C ATOM 978 CG ARG A 61 -1.872 7.651 -4.633 1.00 0.00 C ATOM 979 CD ARG A 61 -2.609 8.810 -5.293 1.00 0.00 C ATOM 980 NE ARG A 61 -2.227 8.919 -6.707 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.105 8.950 -7.713 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.413 8.959 -7.475 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.680 8.969 -8.973 1.00 0.00 N ATOM 0 H ARG A 61 -2.839 5.925 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.606 5.340 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.644 6.934 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.711 8.074 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.856 7.949 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.793 6.813 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.685 8.659 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.377 9.740 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.234 8.974 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.757 8.942 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.073 8.983 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.680 8.960 -9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.354 8.993 -9.738 1.00 0.00 H new ATOM 997 N PHE A 62 0.521 6.257 -2.543 1.00 0.00 N ATOM 998 CA PHE A 62 1.818 6.639 -2.000 1.00 0.00 C ATOM 999 C PHE A 62 2.526 7.578 -2.966 1.00 0.00 C ATOM 1000 O PHE A 62 2.348 7.469 -4.177 1.00 0.00 O ATOM 1001 CB PHE A 62 2.696 5.405 -1.828 1.00 0.00 C ATOM 1002 CG PHE A 62 2.424 4.547 -0.614 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.197 3.883 -0.467 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.417 4.409 0.364 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.971 3.062 0.647 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.198 3.583 1.473 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.982 2.902 1.607 1.00 0.00 C ATOM 0 H PHE A 62 0.592 5.739 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 62 1.656 7.127 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.588 4.783 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.736 5.729 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.425 4.004 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.352 4.940 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.024 2.556 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.966 3.471 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.821 2.250 2.453 1.00 0.00 H new ATOM 1017 N HIS A 63 3.329 8.495 -2.420 1.00 0.00 N ATOM 1018 CA HIS A 63 3.972 9.545 -3.194 1.00 0.00 C ATOM 1019 C HIS A 63 5.425 9.234 -3.533 1.00 0.00 C ATOM 1020 O HIS A 63 5.939 9.719 -4.539 1.00 0.00 O ATOM 1021 CB HIS A 63 3.958 10.871 -2.424 1.00 0.00 C ATOM 1022 CG HIS A 63 3.183 10.937 -1.126 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.337 10.127 -0.029 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.199 11.888 -0.854 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.456 10.593 0.916 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 1.800 11.647 0.404 1.00 0.00 N flip ATOM 0 H HIS A 63 3.548 8.525 -1.424 1.00 0.00 H new ATOM 0 HA HIS A 63 3.400 9.615 -4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.992 11.142 -2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.560 11.638 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.834 12.658 -1.518 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.315 10.181 1.904 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.095 12.190 0.903 1.00 0.00 H new ATOM 1034 N ASP A 64 6.091 8.434 -2.706 1.00 0.00 N ATOM 1035 CA ASP A 64 7.519 8.194 -2.841 1.00 0.00 C ATOM 1036 C ASP A 64 7.782 6.740 -3.196 1.00 0.00 C ATOM 1037 O ASP A 64 7.209 5.830 -2.602 1.00 0.00 O ATOM 1038 CB ASP A 64 8.189 8.566 -1.525 1.00 0.00 C ATOM 1039 CG ASP A 64 8.406 10.075 -1.431 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.403 10.549 -2.024 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.581 10.742 -0.772 1.00 0.00 O ATOM 0 H ASP A 64 5.657 7.937 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 64 7.930 8.803 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.573 8.231 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.146 8.051 -1.441 1.00 0.00 H new ATOM 1046 N LYS A 65 8.662 6.541 -4.181 1.00 0.00 N ATOM 1047 CA LYS A 65 8.954 5.230 -4.734 1.00 0.00 C ATOM 1048 C LYS A 65 9.510 4.284 -3.679 1.00 0.00 C ATOM 1049 O LYS A 65 9.065 3.142 -3.617 1.00 0.00 O ATOM 1050 CB LYS A 65 9.929 5.408 -5.902 1.00 0.00 C ATOM 1051 CG LYS A 65 10.474 4.085 -6.452 1.00 0.00 C ATOM 1052 CD LYS A 65 9.373 3.125 -6.914 1.00 0.00 C ATOM 1053 CE LYS A 65 8.482 3.739 -7.993 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.244 4.047 -9.218 1.00 0.00 N ATOM 0 H LYS A 65 9.192 7.296 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 65 8.032 4.772 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.426 5.947 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.764 6.028 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.140 4.294 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.073 3.598 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.828 2.212 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.760 2.840 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.672 3.050 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.023 4.651 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.593 4.383 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.946 4.786 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.730 3.189 -9.549 1.00 0.00 H new ATOM 1068 N ARG A 66 10.464 4.724 -2.853 1.00 0.00 N ATOM 1069 CA ARG A 66 11.108 3.829 -1.899 1.00 0.00 C ATOM 1070 C ARG A 66 10.123 3.301 -0.855 1.00 0.00 C ATOM 1071 O ARG A 66 10.253 2.164 -0.400 1.00 0.00 O ATOM 1072 CB ARG A 66 12.341 4.511 -1.289 1.00 0.00 C ATOM 1073 CG ARG A 66 12.029 5.756 -0.453 1.00 0.00 C ATOM 1074 CD ARG A 66 11.731 5.424 1.010 1.00 0.00 C ATOM 1075 NE ARG A 66 12.909 4.882 1.690 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.873 4.353 2.915 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.734 4.300 3.602 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.985 3.877 3.465 1.00 0.00 N ATOM 0 H ARG A 66 10.802 5.686 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 66 11.459 2.943 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.867 3.790 -0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.022 4.790 -2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.875 6.442 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.173 6.274 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.393 6.323 1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.916 4.702 1.061 1.00 0.00 H new ATOM 0 HE ARG A 66 13.804 4.910 1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.874 4.666 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.721 3.893 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.865 3.916 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.958 3.473 4.401 1.00 0.00 H new ATOM 1092 N ASP A 67 9.138 4.119 -0.470 1.00 0.00 N ATOM 1093 CA ASP A 67 8.150 3.712 0.519 1.00 0.00 C ATOM 1094 C ASP A 67 7.061 2.872 -0.149 1.00 0.00 C ATOM 1095 O ASP A 67 6.399 2.067 0.501 1.00 0.00 O ATOM 1096 CB ASP A 67 7.521 4.945 1.163 1.00 0.00 C ATOM 1097 CG ASP A 67 8.569 5.815 1.855 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.263 5.287 2.749 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.665 7.005 1.480 1.00 0.00 O ATOM 0 H ASP A 67 9.009 5.064 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 67 8.643 3.117 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.006 5.531 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.769 4.634 1.888 1.00 0.00 H new ATOM 1104 N ALA A 68 6.880 3.069 -1.458 1.00 0.00 N ATOM 1105 CA ALA A 68 5.879 2.393 -2.246 1.00 0.00 C ATOM 1106 C ALA A 68 6.317 0.969 -2.574 1.00 0.00 C ATOM 1107 O ALA A 68 5.543 0.027 -2.415 1.00 0.00 O ATOM 1108 CB ALA A 68 5.723 3.192 -3.536 1.00 0.00 C ATOM 0 H ALA A 68 7.446 3.722 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 68 4.940 2.330 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.973 2.718 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.408 4.208 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.676 3.221 -4.063 1.00 0.00 H new ATOM 1114 N GLU A 69 7.561 0.802 -3.031 1.00 0.00 N ATOM 1115 CA GLU A 69 8.034 -0.515 -3.413 1.00 0.00 C ATOM 1116 C GLU A 69 8.305 -1.371 -2.181 1.00 0.00 C ATOM 1117 O GLU A 69 8.216 -2.594 -2.264 1.00 0.00 O ATOM 1118 CB GLU A 69 9.268 -0.425 -4.317 1.00 0.00 C ATOM 1119 CG GLU A 69 10.469 0.197 -3.600 1.00 0.00 C ATOM 1120 CD GLU A 69 11.751 0.007 -4.409 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.948 0.786 -5.365 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.522 -0.916 -4.064 1.00 0.00 O ATOM 0 H GLU A 69 8.242 1.553 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 69 7.247 -1.000 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.533 -1.423 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.027 0.168 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.290 1.260 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.585 -0.258 -2.616 1.00 0.00 H new ATOM 1129 N ASP A 70 8.632 -0.759 -1.041 1.00 0.00 N ATOM 1130 CA ASP A 70 8.833 -1.541 0.166 1.00 0.00 C ATOM 1131 C ASP A 70 7.500 -2.083 0.673 1.00 0.00 C ATOM 1132 O ASP A 70 7.422 -3.229 1.111 1.00 0.00 O ATOM 1133 CB ASP A 70 9.512 -0.669 1.223 1.00 0.00 C ATOM 1134 CG ASP A 70 9.870 -1.487 2.463 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.713 -2.404 2.329 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.298 -1.189 3.537 1.00 0.00 O ATOM 0 H ASP A 70 8.759 0.247 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 70 9.476 -2.394 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.414 -0.222 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.850 0.151 1.503 1.00 0.00 H new ATOM 1141 N ALA A 71 6.438 -1.271 0.617 1.00 0.00 N ATOM 1142 CA ALA A 71 5.144 -1.695 1.125 1.00 0.00 C ATOM 1143 C ALA A 71 4.575 -2.850 0.302 1.00 0.00 C ATOM 1144 O ALA A 71 3.876 -3.701 0.855 1.00 0.00 O ATOM 1145 CB ALA A 71 4.185 -0.504 1.118 1.00 0.00 C ATOM 0 H ALA A 71 6.455 -0.328 0.228 1.00 0.00 H new ATOM 0 HA ALA A 71 5.269 -2.055 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.213 -0.817 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.584 0.288 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.073 -0.133 0.099 1.00 0.00 H new ATOM 1151 N MET A 72 4.856 -2.904 -1.005 1.00 0.00 N ATOM 1152 CA MET A 72 4.337 -3.999 -1.816 1.00 0.00 C ATOM 1153 C MET A 72 5.188 -5.245 -1.594 1.00 0.00 C ATOM 1154 O MET A 72 4.673 -6.361 -1.549 1.00 0.00 O ATOM 1155 CB MET A 72 4.289 -3.603 -3.292 1.00 0.00 C ATOM 1156 CG MET A 72 5.543 -3.968 -4.086 1.00 0.00 C ATOM 1157 SD MET A 72 5.395 -3.610 -5.857 1.00 0.00 S ATOM 1158 CE MET A 72 5.550 -1.812 -5.793 1.00 0.00 C ATOM 0 H MET A 72 5.423 -2.222 -1.508 1.00 0.00 H new ATOM 0 HA MET A 72 3.315 -4.223 -1.511 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.428 -4.083 -3.756 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.130 -2.527 -3.362 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.394 -3.420 -3.681 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.754 -5.029 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.826 -1.360 -6.471 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.360 -1.466 -4.777 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.557 -1.523 -6.093 1.00 0.00 H new ATOM 1168 N ASP A 73 6.499 -5.045 -1.450 1.00 0.00 N ATOM 1169 CA ASP A 73 7.447 -6.120 -1.212 1.00 0.00 C ATOM 1170 C ASP A 73 7.407 -6.600 0.241 1.00 0.00 C ATOM 1171 O ASP A 73 8.140 -7.516 0.599 1.00 0.00 O ATOM 1172 CB ASP A 73 8.848 -5.625 -1.582 1.00 0.00 C ATOM 1173 CG ASP A 73 9.885 -6.747 -1.534 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.694 -7.743 -2.267 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.863 -6.597 -0.770 1.00 0.00 O ATOM 0 H ASP A 73 6.930 -4.122 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 73 7.177 -6.975 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.827 -5.194 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.143 -4.829 -0.898 1.00 0.00 H new ATOM 1180 N ALA A 74 6.561 -5.999 1.089 1.00 0.00 N ATOM 1181 CA ALA A 74 6.518 -6.345 2.497 1.00 0.00 C ATOM 1182 C ALA A 74 5.112 -6.636 3.015 1.00 0.00 C ATOM 1183 O ALA A 74 4.975 -7.031 4.173 1.00 0.00 O ATOM 1184 CB ALA A 74 7.130 -5.200 3.286 1.00 0.00 C ATOM 0 H ALA A 74 5.901 -5.272 0.814 1.00 0.00 H new ATOM 0 HA ALA A 74 7.081 -7.269 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.108 -5.438 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.162 -5.050 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.559 -4.289 3.107 1.00 0.00 H new ATOM 1190 N MET A 75 4.070 -6.455 2.196 1.00 0.00 N ATOM 1191 CA MET A 75 2.728 -6.785 2.648 1.00 0.00 C ATOM 1192 C MET A 75 1.851 -7.498 1.624 1.00 0.00 C ATOM 1193 O MET A 75 0.935 -8.212 2.023 1.00 0.00 O ATOM 1194 CB MET A 75 2.012 -5.515 3.082 1.00 0.00 C ATOM 1195 CG MET A 75 1.069 -5.861 4.228 1.00 0.00 C ATOM 1196 SD MET A 75 -0.178 -4.602 4.593 1.00 0.00 S ATOM 1197 CE MET A 75 0.912 -3.209 4.947 1.00 0.00 C ATOM 0 H MET A 75 4.132 -6.092 1.245 1.00 0.00 H new ATOM 0 HA MET A 75 2.873 -7.486 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.734 -4.762 3.399 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.454 -5.090 2.247 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.562 -6.797 3.992 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.661 -6.037 5.126 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.314 -2.315 5.126 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.509 -3.430 5.832 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.573 -3.039 4.097 1.00 0.00 H new ATOM 1207 N ASP A 76 2.088 -7.335 0.320 1.00 0.00 N ATOM 1208 CA ASP A 76 1.219 -8.013 -0.632 1.00 0.00 C ATOM 1209 C ASP A 76 1.352 -9.526 -0.475 1.00 0.00 C ATOM 1210 O ASP A 76 2.447 -10.056 -0.308 1.00 0.00 O ATOM 1211 CB ASP A 76 1.526 -7.572 -2.064 1.00 0.00 C ATOM 1212 CG ASP A 76 1.015 -8.576 -3.089 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.226 -8.664 -3.228 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.859 -9.244 -3.728 1.00 0.00 O ATOM 0 H ASP A 76 2.835 -6.769 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 76 0.186 -7.736 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.070 -6.599 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.602 -7.448 -2.183 1.00 0.00 H new ATOM 1219 N GLY A 77 0.206 -10.212 -0.537 1.00 0.00 N ATOM 1220 CA GLY A 77 0.143 -11.665 -0.441 1.00 0.00 C ATOM 1221 C GLY A 77 0.404 -12.180 0.975 1.00 0.00 C ATOM 1222 O GLY A 77 0.654 -13.372 1.153 1.00 0.00 O ATOM 0 H GLY A 77 -0.705 -9.769 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.840 -12.003 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.875 -12.101 -1.121 1.00 0.00 H new ATOM 1226 N ALA A 78 0.349 -11.303 1.983 1.00 0.00 N ATOM 1227 CA ALA A 78 0.591 -11.678 3.375 1.00 0.00 C ATOM 1228 C ALA A 78 -0.680 -12.255 3.996 1.00 0.00 C ATOM 1229 O ALA A 78 -0.986 -12.031 5.164 1.00 0.00 O ATOM 1230 CB ALA A 78 1.075 -10.451 4.153 1.00 0.00 C ATOM 0 H ALA A 78 0.135 -10.314 1.854 1.00 0.00 H new ATOM 0 HA ALA A 78 1.362 -12.447 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.256 -10.727 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.999 -10.080 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.315 -9.671 4.112 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.425 -13.000 3.182 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.770 -13.457 3.483 1.00 0.00 C ATOM 1238 C VAL A 79 -2.855 -14.548 4.534 1.00 0.00 C ATOM 1239 O VAL A 79 -1.847 -15.047 5.028 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.423 -13.909 2.183 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.895 -15.255 1.695 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.930 -13.900 2.227 1.00 0.00 C ATOM 0 H VAL A 79 -1.094 -13.309 2.268 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.301 -12.614 3.925 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.131 -13.156 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.396 -15.527 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.821 -15.183 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.091 -16.018 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.324 -14.233 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.275 -14.571 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.282 -12.889 2.432 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.099 -14.905 4.860 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.373 -15.987 5.801 1.00 0.00 C ATOM 1254 C LEU A 80 -5.706 -16.693 5.555 1.00 0.00 C ATOM 1255 O LEU A 80 -6.034 -17.636 6.277 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.274 -15.475 7.246 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.568 -14.861 7.795 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.324 -14.389 9.227 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.054 -13.670 6.974 1.00 0.00 C ATOM 0 H LEU A 80 -4.934 -14.457 4.483 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.607 -16.744 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.977 -16.302 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.482 -14.728 7.300 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.336 -15.633 7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.239 -13.951 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.028 -15.237 9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.531 -13.642 9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.973 -13.278 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.291 -12.892 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.246 -13.989 5.949 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.481 -16.257 4.557 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.789 -16.844 4.299 1.00 0.00 C ATOM 1273 C ASP A 81 -8.128 -16.908 2.809 1.00 0.00 C ATOM 1274 O ASP A 81 -9.198 -17.396 2.445 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.841 -16.042 5.077 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.213 -16.713 5.038 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.301 -17.872 5.501 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.162 -16.063 4.545 1.00 0.00 O ATOM 0 H ASP A 81 -6.222 -15.503 3.920 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.778 -17.880 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.520 -15.932 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.916 -15.039 4.658 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.235 -16.425 1.940 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.454 -16.493 0.500 1.00 0.00 C ATOM 1285 C GLY A 82 -7.293 -15.125 -0.154 1.00 0.00 C ATOM 1286 O GLY A 82 -7.091 -15.042 -1.366 1.00 0.00 O ATOM 0 H GLY A 82 -6.356 -15.984 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.748 -17.195 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.454 -16.878 0.301 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.381 -14.059 0.652 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.116 -12.695 0.207 1.00 0.00 C ATOM 1292 C ARG A 83 -6.971 -11.822 1.445 1.00 0.00 C ATOM 1293 O ARG A 83 -7.752 -11.938 2.388 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.236 -12.208 -0.715 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.483 -11.805 0.052 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.558 -10.309 0.364 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.941 -9.920 0.657 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.666 -9.079 -0.088 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -11.155 -8.505 -1.171 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.919 -8.807 0.261 1.00 0.00 N ATOM 0 H ARG A 83 -7.640 -14.125 1.636 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.195 -12.647 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.880 -11.358 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.488 -12.997 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.362 -12.091 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.520 -12.364 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.919 -10.076 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.183 -9.734 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.381 -10.319 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.193 -8.703 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.724 -7.866 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.322 -9.239 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.478 -8.166 -0.303 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.964 -10.949 1.445 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.769 -9.999 2.527 1.00 0.00 C ATOM 1316 C GLU A 84 -5.231 -8.699 1.948 1.00 0.00 C ATOM 1317 O GLU A 84 -5.651 -7.611 2.338 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.757 -10.504 3.550 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.394 -11.362 4.645 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.253 -10.527 5.593 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.663 -9.791 6.413 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.494 -10.633 5.495 1.00 0.00 O ATOM 0 H GLU A 84 -5.270 -10.884 0.701 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.730 -9.857 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.991 -11.087 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.256 -9.652 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.007 -12.138 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.612 -11.866 5.212 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.293 -8.840 1.003 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.632 -7.712 0.359 1.00 0.00 C ATOM 1331 C LEU A 85 -3.436 -7.947 -1.135 1.00 0.00 C ATOM 1332 O LEU A 85 -3.281 -9.084 -1.581 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.219 -7.506 0.926 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.075 -6.771 2.266 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.919 -5.502 2.280 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.421 -7.664 3.449 1.00 0.00 C ATOM 0 H LEU A 85 -3.974 -9.748 0.666 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.276 -6.852 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.757 -8.487 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.638 -6.960 0.183 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.026 -6.492 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.802 -4.997 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.592 -4.839 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.967 -5.761 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.305 -7.102 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.452 -8.005 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.754 -8.526 3.462 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.438 -6.841 -1.885 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.040 -6.751 -3.285 1.00 0.00 C ATOM 1350 C ARG A 86 -2.541 -5.327 -3.507 1.00 0.00 C ATOM 1351 O ARG A 86 -3.339 -4.392 -3.528 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.203 -7.056 -4.237 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.540 -8.548 -4.352 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.369 -9.363 -4.907 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.052 -8.963 -6.285 1.00 0.00 N ATOM 1356 CZ ARG A 86 -1.840 -8.611 -6.724 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.787 -8.587 -5.917 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -1.679 -8.279 -8.001 1.00 0.00 N ATOM 0 H ARG A 86 -3.733 -5.940 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.267 -7.490 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.088 -6.519 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.959 -6.672 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.816 -8.933 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.408 -8.674 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.493 -9.224 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.616 -10.424 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.817 -8.953 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.891 -8.841 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.127 -8.314 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.477 -8.294 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.758 -8.009 -8.345 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.226 -5.162 -3.673 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.630 -3.847 -3.902 1.00 0.00 C ATOM 1374 C VAL A 87 0.396 -3.893 -5.029 1.00 0.00 C ATOM 1375 O VAL A 87 1.236 -4.790 -5.091 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.038 -3.271 -2.606 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.766 -4.274 -1.797 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.856 -2.067 -2.894 1.00 0.00 C ATOM 0 H VAL A 87 -0.553 -5.928 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.423 -3.170 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.904 -2.978 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.150 -3.792 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.126 -5.110 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.599 -4.641 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.260 -1.682 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.676 -2.370 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.271 -1.289 -3.385 1.00 0.00 H new ATOM 1388 N GLN A 88 0.306 -2.895 -5.913 1.00 0.00 N ATOM 1389 CA GLN A 88 1.196 -2.691 -7.043 1.00 0.00 C ATOM 1390 C GLN A 88 0.965 -1.283 -7.580 1.00 0.00 C ATOM 1391 O GLN A 88 0.000 -0.613 -7.214 1.00 0.00 O ATOM 1392 CB GLN A 88 0.902 -3.728 -8.132 1.00 0.00 C ATOM 1393 CG GLN A 88 2.118 -3.953 -9.031 1.00 0.00 C ATOM 1394 CD GLN A 88 1.810 -4.947 -10.142 1.00 0.00 C ATOM 1395 OE1 GLN A 88 1.004 -4.669 -11.024 1.00 0.00 O ATOM 1396 NE2 GLN A 88 2.447 -6.113 -10.111 1.00 0.00 N ATOM 0 H GLN A 88 -0.421 -2.182 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 88 2.235 -2.807 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.610 -4.671 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.058 -3.395 -8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.431 -3.004 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.952 -4.320 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.111 -6.312 -9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.272 -6.809 -10.835 1.00 0.00 H new ATOM 1405 N MET A 89 1.864 -0.840 -8.454 1.00 0.00 N ATOM 1406 CA MET A 89 1.873 0.504 -9.005 1.00 0.00 C ATOM 1407 C MET A 89 0.589 0.778 -9.786 1.00 0.00 C ATOM 1408 O MET A 89 0.074 -0.103 -10.470 1.00 0.00 O ATOM 1409 CB MET A 89 3.114 0.620 -9.883 1.00 0.00 C ATOM 1410 CG MET A 89 4.341 0.471 -8.980 1.00 0.00 C ATOM 1411 SD MET A 89 4.843 2.024 -8.192 1.00 0.00 S ATOM 1412 CE MET A 89 6.036 1.379 -6.997 1.00 0.00 C ATOM 0 H MET A 89 2.624 -1.423 -8.805 1.00 0.00 H new ATOM 0 HA MET A 89 1.910 1.253 -8.214 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.111 -0.151 -10.653 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.131 1.582 -10.395 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.128 -0.268 -8.208 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.173 0.085 -9.569 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.652 2.196 -6.621 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.504 0.913 -6.167 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.672 0.638 -7.482 1.00 0.00 H new ATOM 1422 N ALA A 90 0.082 2.007 -9.681 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.130 2.421 -10.365 1.00 0.00 C ATOM 1424 C ALA A 90 -0.920 2.447 -11.878 1.00 0.00 C ATOM 1425 O ALA A 90 0.206 2.594 -12.357 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.547 3.802 -9.863 1.00 0.00 C ATOM 0 H ALA A 90 0.507 2.742 -9.115 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.920 1.702 -10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.457 4.116 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.731 3.759 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.751 4.519 -10.066 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.016 2.309 -12.630 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.014 2.422 -14.084 1.00 0.00 C ATOM 1434 C ARG A 91 -3.264 3.175 -14.542 1.00 0.00 C ATOM 1435 O ARG A 91 -3.553 3.226 -15.736 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.963 1.037 -14.732 1.00 0.00 C ATOM 1437 CG ARG A 91 -0.677 0.285 -14.377 1.00 0.00 C ATOM 1438 CD ARG A 91 -0.690 -1.073 -15.074 1.00 0.00 C ATOM 1439 NE ARG A 91 0.509 -1.855 -14.755 1.00 0.00 N ATOM 1440 CZ ARG A 91 0.653 -2.603 -13.657 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -0.295 -2.641 -12.724 1.00 0.00 N ATOM 1442 NH2 ARG A 91 1.758 -3.322 -13.480 1.00 0.00 N ATOM 0 H ARG A 91 -2.937 2.114 -12.238 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.127 2.976 -14.393 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.825 0.454 -14.409 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.036 1.140 -15.815 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.195 0.860 -14.689 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.603 0.154 -13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.578 -1.629 -14.773 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.755 -0.929 -16.152 1.00 0.00 H new ATOM 0 HE ARG A 91 1.285 -1.826 -15.416 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.148 -2.094 -12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.169 -3.217 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.497 -3.303 -14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.866 -3.892 -12.641 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.998 3.756 -13.590 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.214 4.509 -13.847 1.00 0.00 C ATOM 1458 C TYR A 92 -5.149 5.844 -13.105 1.00 0.00 C ATOM 1459 O TYR A 92 -4.266 6.044 -12.272 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.434 3.707 -13.402 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.576 2.326 -14.008 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.328 2.102 -15.370 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -6.961 1.257 -13.185 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.455 0.815 -15.908 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -7.081 -0.037 -13.710 1.00 0.00 C ATOM 1466 CZ TYR A 92 -6.830 -0.261 -15.079 1.00 0.00 C ATOM 1467 OH TYR A 92 -6.944 -1.517 -15.606 1.00 0.00 O ATOM 0 H TYR A 92 -3.753 3.711 -12.601 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.304 4.700 -14.916 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.401 3.605 -12.317 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.329 4.281 -13.641 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.038 2.925 -16.006 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.166 1.432 -12.139 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.266 0.647 -16.958 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.364 -0.859 -13.069 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.209 -2.144 -14.902 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.076 6.761 -13.398 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.047 8.102 -12.837 1.00 0.00 C ATOM 1479 C GLY A 93 -7.381 8.479 -12.201 1.00 0.00 C ATOM 1480 O GLY A 93 -8.309 7.673 -12.158 1.00 0.00 O ATOM 0 H GLY A 93 -6.860 6.590 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.257 8.166 -12.089 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.803 8.819 -13.621 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.464 9.716 -11.701 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.666 10.242 -11.060 1.00 0.00 C ATOM 1486 C ARG A 94 -9.862 10.137 -12.000 1.00 0.00 C ATOM 1487 O ARG A 94 -9.703 10.296 -13.212 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.423 11.696 -10.649 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.399 11.774 -9.511 1.00 0.00 C ATOM 1490 CD ARG A 94 -7.028 13.225 -9.207 1.00 0.00 C ATOM 1491 NE ARG A 94 -6.257 13.818 -10.313 1.00 0.00 N ATOM 1492 CZ ARG A 94 -5.422 14.850 -10.178 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -5.274 15.468 -9.010 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -4.723 15.275 -11.226 1.00 0.00 N ATOM 0 H ARG A 94 -6.692 10.382 -11.732 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.889 9.653 -10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.065 12.266 -11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.361 12.151 -10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.808 11.304 -8.616 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.504 11.215 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.934 13.807 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.444 13.269 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.369 13.413 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.804 15.155 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.631 16.255 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.826 14.813 -12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.084 16.064 -11.127 1.00 0.00 H new ATOM 1508 N PRO A 95 -11.063 9.874 -11.464 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.269 9.696 -12.252 1.00 0.00 C ATOM 1510 C PRO A 95 -12.746 11.007 -12.889 1.00 0.00 C ATOM 1511 O PRO A 95 -12.595 12.075 -12.294 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.304 9.172 -11.266 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.848 9.731 -9.918 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.330 9.700 -10.048 1.00 0.00 C ATOM 0 HA PRO A 95 -12.097 9.015 -13.086 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.307 9.514 -11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.331 8.082 -11.258 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.221 10.741 -9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.197 9.120 -9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.869 10.494 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.923 8.756 -9.684 1.00 0.00 H new ATOM 1522 N PRO A 96 -13.323 10.934 -14.096 1.00 0.00 N ATOM 1523 CA PRO A 96 -13.858 12.079 -14.826 1.00 0.00 C ATOM 1524 C PRO A 96 -15.264 12.456 -14.359 1.00 0.00 C ATOM 1525 O PRO A 96 -15.688 13.600 -14.536 1.00 0.00 O ATOM 1526 CB PRO A 96 -13.937 11.596 -16.272 1.00 0.00 C ATOM 1527 CG PRO A 96 -14.247 10.107 -16.126 1.00 0.00 C ATOM 1528 CD PRO A 96 -13.469 9.715 -14.873 1.00 0.00 C ATOM 0 HA PRO A 96 -13.234 12.961 -14.680 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.716 12.117 -16.829 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.000 11.762 -16.804 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -15.316 9.927 -16.010 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.921 9.540 -16.998 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.002 8.952 -14.306 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.496 9.298 -15.132 1.00 0.00 H new ATOM 1536 N ASP A 97 -15.988 11.501 -13.769 1.00 0.00 N ATOM 1537 CA ASP A 97 -17.348 11.678 -13.279 1.00 0.00 C ATOM 1538 C ASP A 97 -17.571 10.749 -12.086 1.00 0.00 C ATOM 1539 O ASP A 97 -16.783 9.831 -11.873 1.00 0.00 O ATOM 1540 CB ASP A 97 -18.330 11.352 -14.408 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.774 11.617 -13.994 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -20.224 12.768 -14.180 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.418 10.665 -13.495 1.00 0.00 O ATOM 0 H ASP A 97 -15.629 10.558 -13.617 1.00 0.00 H new ATOM 0 HA ASP A 97 -17.508 12.707 -12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.087 11.951 -15.286 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.220 10.306 -14.695 1.00 0.00 H new ATOM 1548 N SER A 98 -18.628 10.978 -11.303 1.00 0.00 N ATOM 1549 CA SER A 98 -18.819 10.231 -10.072 1.00 0.00 C ATOM 1550 C SER A 98 -19.325 8.806 -10.276 1.00 0.00 C ATOM 1551 O SER A 98 -18.936 7.915 -9.525 1.00 0.00 O ATOM 1552 CB SER A 98 -19.784 10.967 -9.139 1.00 0.00 C ATOM 1553 OG SER A 98 -21.022 11.181 -9.785 1.00 0.00 O ATOM 0 H SER A 98 -19.353 11.667 -11.502 1.00 0.00 H new ATOM 0 HA SER A 98 -17.826 10.158 -9.628 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.936 10.386 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.353 11.922 -8.838 1.00 0.00 H new ATOM 0 HG SER A 98 -21.631 11.651 -9.178 1.00 0.00 H new