USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 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 168:sc= -0.834 (180deg=-0.823) USER MOD Set 1.2: A 89 MET CE :methyl 175:sc= -1.1 (180deg=-0.843) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= -0.0312 USER MOD Set 2.2: A 75 MET CE :methyl 180:sc= -2.46 (180deg=-2.42) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.621 USER MOD Set 3.2: A 29 THR OG1 : rot 85:sc= 0.662 USER MOD Set 4.1: A 13 MET CE :methyl 176:sc= -0.971 (180deg=-1.05) USER MOD Set 4.2: A 63 HIS : no HE2:sc= -3.08 X(o=-4,f=-4.4) USER MOD Single : A 3 TYR OH : rot 90:sc= 0.496 USER MOD Single : A 14 THR OG1 : rot 100:sc= 0 USER MOD Single : A 15 SER OG : rot -148:sc= 0.95 USER MOD Single : A 17 LYS NZ :NH3+ -122:sc= 0.53 (180deg=-0.197) USER MOD Single : A 20 ASN : amide:sc= -2.5! C(o=-2.5!,f=-5.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00359 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.427 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -12.443 14.505 2.910 1.00 0.00 N ATOM 30 CA TYR A 3 -11.216 15.087 2.388 1.00 0.00 C ATOM 31 C TYR A 3 -11.486 16.347 1.562 1.00 0.00 C ATOM 32 O TYR A 3 -10.630 17.228 1.484 1.00 0.00 O ATOM 33 CB TYR A 3 -10.514 14.032 1.529 1.00 0.00 C ATOM 34 CG TYR A 3 -10.206 12.739 2.258 1.00 0.00 C ATOM 35 CD1 TYR A 3 -11.240 11.830 2.535 1.00 0.00 C ATOM 36 CD2 TYR A 3 -8.894 12.447 2.654 1.00 0.00 C ATOM 37 CE1 TYR A 3 -10.966 10.643 3.230 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.610 11.255 3.339 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.650 10.356 3.646 1.00 0.00 C ATOM 40 OH TYR A 3 -9.388 9.217 4.342 1.00 0.00 O ATOM 0 HA TYR A 3 -10.584 15.387 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.140 13.808 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.583 14.451 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.248 12.045 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.098 13.142 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.764 9.948 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.595 11.028 3.630 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.169 8.495 3.717 1.00 0.00 H new ATOM 50 N GLY A 4 -12.671 16.435 0.948 1.00 0.00 N ATOM 51 CA GLY A 4 -13.093 17.585 0.159 1.00 0.00 C ATOM 52 C GLY A 4 -12.552 17.549 -1.269 1.00 0.00 C ATOM 53 O GLY A 4 -12.235 18.596 -1.835 1.00 0.00 O ATOM 0 H GLY A 4 -13.371 15.694 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.182 17.621 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.757 18.499 0.648 1.00 0.00 H new ATOM 57 N ARG A 5 -12.450 16.344 -1.846 1.00 0.00 N ATOM 58 CA ARG A 5 -11.940 16.088 -3.192 1.00 0.00 C ATOM 59 C ARG A 5 -10.817 17.033 -3.635 1.00 0.00 C ATOM 60 O ARG A 5 -10.893 17.616 -4.717 1.00 0.00 O ATOM 61 CB ARG A 5 -13.085 15.997 -4.199 1.00 0.00 C ATOM 62 CG ARG A 5 -13.889 17.281 -4.319 1.00 0.00 C ATOM 63 CD ARG A 5 -15.294 16.892 -4.763 1.00 0.00 C ATOM 64 NE ARG A 5 -15.306 16.180 -6.041 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.180 16.751 -7.242 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.036 18.069 -7.361 1.00 0.00 N ATOM 67 NH2 ARG A 5 -15.198 15.992 -8.332 1.00 0.00 N ATOM 0 H ARG A 5 -12.733 15.490 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.453 15.114 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.679 15.739 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.752 15.186 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.919 17.807 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.430 17.956 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.752 16.265 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.906 17.790 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.420 15.167 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.021 18.658 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.941 18.490 -8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.307 14.981 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.102 16.420 -9.253 1.00 0.00 H new ATOM 81 N PRO A 6 -9.771 17.203 -2.817 1.00 0.00 N ATOM 82 CA PRO A 6 -8.706 18.156 -3.078 1.00 0.00 C ATOM 83 C PRO A 6 -7.788 17.649 -4.191 1.00 0.00 C ATOM 84 O PRO A 6 -7.642 16.440 -4.371 1.00 0.00 O ATOM 85 CB PRO A 6 -7.940 18.256 -1.756 1.00 0.00 C ATOM 86 CG PRO A 6 -8.107 16.859 -1.164 1.00 0.00 C ATOM 87 CD PRO A 6 -9.526 16.479 -1.581 1.00 0.00 C ATOM 0 HA PRO A 6 -9.091 19.121 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.891 18.506 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.356 19.024 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.369 16.161 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.992 16.863 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.617 15.403 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.249 16.756 -0.813 1.00 0.00 H new ATOM 95 N PRO A 7 -7.160 18.562 -4.943 1.00 0.00 N ATOM 96 CA PRO A 7 -6.172 18.233 -5.956 1.00 0.00 C ATOM 97 C PRO A 7 -4.822 17.920 -5.302 1.00 0.00 C ATOM 98 O PRO A 7 -4.242 18.784 -4.649 1.00 0.00 O ATOM 99 CB PRO A 7 -6.077 19.490 -6.819 1.00 0.00 C ATOM 100 CG PRO A 7 -6.377 20.621 -5.835 1.00 0.00 C ATOM 101 CD PRO A 7 -7.384 19.997 -4.872 1.00 0.00 C ATOM 0 HA PRO A 7 -6.446 17.353 -6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.088 19.597 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.795 19.470 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.477 20.951 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.792 21.493 -6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.236 20.367 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.406 20.248 -5.157 1.00 0.00 H new ATOM 109 N PRO A 8 -4.315 16.693 -5.467 1.00 0.00 N ATOM 110 CA PRO A 8 -3.006 16.284 -4.990 1.00 0.00 C ATOM 111 C PRO A 8 -1.921 16.792 -5.944 1.00 0.00 C ATOM 112 O PRO A 8 -2.186 17.606 -6.829 1.00 0.00 O ATOM 113 CB PRO A 8 -3.073 14.755 -4.989 1.00 0.00 C ATOM 114 CG PRO A 8 -3.967 14.460 -6.189 1.00 0.00 C ATOM 115 CD PRO A 8 -4.983 15.598 -6.138 1.00 0.00 C ATOM 0 HA PRO A 8 -2.761 16.683 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.086 14.306 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.498 14.369 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.405 14.461 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.447 13.485 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.297 15.887 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.880 15.297 -5.597 1.00 0.00 H new ATOM 123 N ASP A 9 -0.693 16.305 -5.761 1.00 0.00 N ATOM 124 CA ASP A 9 0.446 16.646 -6.604 1.00 0.00 C ATOM 125 C ASP A 9 1.019 15.368 -7.222 1.00 0.00 C ATOM 126 O ASP A 9 2.176 15.327 -7.635 1.00 0.00 O ATOM 127 CB ASP A 9 1.492 17.386 -5.767 1.00 0.00 C ATOM 128 CG ASP A 9 0.935 18.694 -5.211 1.00 0.00 C ATOM 129 OD1 ASP A 9 0.877 19.675 -5.987 1.00 0.00 O ATOM 130 OD2 ASP A 9 0.568 18.709 -4.015 1.00 0.00 O ATOM 0 H ASP A 9 -0.462 15.653 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 9 0.135 17.304 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.819 16.749 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.370 17.593 -6.379 1.00 0.00 H new ATOM 135 N VAL A 10 0.192 14.318 -7.277 1.00 0.00 N ATOM 136 CA VAL A 10 0.559 12.999 -7.777 1.00 0.00 C ATOM 137 C VAL A 10 1.013 13.011 -9.241 1.00 0.00 C ATOM 138 O VAL A 10 1.500 11.999 -9.741 1.00 0.00 O ATOM 139 CB VAL A 10 -0.616 12.044 -7.531 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.824 12.381 -8.404 1.00 0.00 C ATOM 141 CG2 VAL A 10 -0.205 10.595 -7.769 1.00 0.00 C ATOM 0 H VAL A 10 -0.778 14.369 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 10 1.433 12.647 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.904 12.170 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.631 11.679 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.160 13.395 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.544 12.310 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.057 9.940 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.130 10.476 -8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.606 10.331 -7.091 1.00 0.00 H new ATOM 151 N GLU A 11 0.868 14.143 -9.935 1.00 0.00 N ATOM 152 CA GLU A 11 1.337 14.294 -11.308 1.00 0.00 C ATOM 153 C GLU A 11 2.868 14.259 -11.376 1.00 0.00 C ATOM 154 O GLU A 11 3.448 14.445 -12.448 1.00 0.00 O ATOM 155 CB GLU A 11 0.802 15.605 -11.887 1.00 0.00 C ATOM 156 CG GLU A 11 -0.722 15.578 -11.874 1.00 0.00 C ATOM 157 CD GLU A 11 -1.300 16.826 -12.543 1.00 0.00 C ATOM 158 OE1 GLU A 11 -1.440 17.849 -11.834 1.00 0.00 O ATOM 159 OE2 GLU A 11 -1.600 16.748 -13.754 1.00 0.00 O ATOM 0 H GLU A 11 0.422 14.979 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 11 0.963 13.459 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.167 16.450 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.166 15.741 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.078 14.687 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.079 15.514 -10.846 1.00 0.00 H new ATOM 166 N GLY A 12 3.523 14.019 -10.237 1.00 0.00 N ATOM 167 CA GLY A 12 4.967 13.937 -10.123 1.00 0.00 C ATOM 168 C GLY A 12 5.368 12.974 -9.006 1.00 0.00 C ATOM 169 O GLY A 12 6.430 13.143 -8.406 1.00 0.00 O ATOM 0 H GLY A 12 3.043 13.874 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.393 13.602 -11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.377 14.926 -9.921 1.00 0.00 H new ATOM 173 N MET A 13 4.523 11.974 -8.719 1.00 0.00 N ATOM 174 CA MET A 13 4.788 11.012 -7.657 1.00 0.00 C ATOM 175 C MET A 13 4.629 9.571 -8.155 1.00 0.00 C ATOM 176 O MET A 13 4.064 9.335 -9.220 1.00 0.00 O ATOM 177 CB MET A 13 3.851 11.269 -6.473 1.00 0.00 C ATOM 178 CG MET A 13 3.889 12.726 -6.011 1.00 0.00 C ATOM 179 SD MET A 13 3.178 13.028 -4.368 1.00 0.00 S ATOM 180 CE MET A 13 1.661 12.031 -4.421 1.00 0.00 C ATOM 0 H MET A 13 3.646 11.816 -9.215 1.00 0.00 H new ATOM 0 HA MET A 13 5.821 11.141 -7.334 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.832 11.006 -6.755 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.130 10.619 -5.643 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.925 13.064 -6.010 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.355 13.337 -6.739 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.166 12.070 -3.451 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.992 12.426 -5.186 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.913 10.997 -4.659 1.00 0.00 H new ATOM 190 N THR A 14 5.128 8.604 -7.373 1.00 0.00 N ATOM 191 CA THR A 14 5.113 7.191 -7.752 1.00 0.00 C ATOM 192 C THR A 14 3.695 6.616 -7.811 1.00 0.00 C ATOM 193 O THR A 14 3.473 5.619 -8.497 1.00 0.00 O ATOM 194 CB THR A 14 6.021 6.387 -6.808 1.00 0.00 C ATOM 195 OG1 THR A 14 7.354 6.565 -7.227 1.00 0.00 O ATOM 196 CG2 THR A 14 5.713 4.890 -6.834 1.00 0.00 C ATOM 0 H THR A 14 5.552 8.782 -6.462 1.00 0.00 H new ATOM 0 HA THR A 14 5.507 7.109 -8.765 1.00 0.00 H new ATOM 0 HB THR A 14 5.853 6.747 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.788 7.237 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.383 4.369 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.680 4.726 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.856 4.507 -7.844 1.00 0.00 H new ATOM 203 N SER A 15 2.737 7.228 -7.113 1.00 0.00 N ATOM 204 CA SER A 15 1.342 6.812 -7.110 1.00 0.00 C ATOM 205 C SER A 15 1.145 5.302 -6.983 1.00 0.00 C ATOM 206 O SER A 15 0.566 4.675 -7.869 1.00 0.00 O ATOM 207 CB SER A 15 0.648 7.359 -8.356 1.00 0.00 C ATOM 208 OG SER A 15 -0.748 7.194 -8.235 1.00 0.00 O ATOM 0 H SER A 15 2.917 8.041 -6.524 1.00 0.00 H new ATOM 0 HA SER A 15 0.885 7.232 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.889 8.414 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.010 6.839 -9.243 1.00 0.00 H new ATOM 0 HG SER A 15 -1.138 7.048 -9.122 1.00 0.00 H new ATOM 214 N LEU A 16 1.621 4.699 -5.892 1.00 0.00 N ATOM 215 CA LEU A 16 1.318 3.295 -5.628 1.00 0.00 C ATOM 216 C LEU A 16 -0.183 3.171 -5.380 1.00 0.00 C ATOM 217 O LEU A 16 -0.844 4.185 -5.171 1.00 0.00 O ATOM 218 CB LEU A 16 2.072 2.813 -4.388 1.00 0.00 C ATOM 219 CG LEU A 16 2.099 1.285 -4.241 1.00 0.00 C ATOM 220 CD1 LEU A 16 3.027 0.630 -5.265 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.582 0.931 -2.838 1.00 0.00 C ATOM 0 H LEU A 16 2.207 5.152 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 16 1.622 2.687 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.096 3.184 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.611 3.247 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 16 1.089 0.912 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.017 -0.451 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.685 0.870 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.042 1.004 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.605 -0.153 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.584 1.333 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.903 1.360 -2.101 1.00 0.00 H new ATOM 233 N LYS A 17 -0.717 1.945 -5.399 1.00 0.00 N ATOM 234 CA LYS A 17 -2.097 1.666 -5.020 1.00 0.00 C ATOM 235 C LYS A 17 -2.185 0.395 -4.182 1.00 0.00 C ATOM 236 O LYS A 17 -1.400 -0.533 -4.364 1.00 0.00 O ATOM 237 CB LYS A 17 -2.992 1.551 -6.256 1.00 0.00 C ATOM 238 CG LYS A 17 -2.434 0.568 -7.282 1.00 0.00 C ATOM 239 CD LYS A 17 -3.546 -0.172 -8.013 1.00 0.00 C ATOM 240 CE LYS A 17 -4.061 -1.292 -7.103 1.00 0.00 C ATOM 241 NZ LYS A 17 -5.104 -2.102 -7.756 1.00 0.00 N ATOM 0 H LYS A 17 -0.195 1.115 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.451 2.502 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.988 1.230 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.100 2.533 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.818 1.105 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.785 -0.151 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.355 0.513 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.174 -0.586 -8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.230 -1.936 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.460 -0.859 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.973 -2.076 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.300 -1.718 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.776 -3.085 -7.843 1.00 0.00 H new ATOM 255 N VAL A 18 -3.153 0.367 -3.262 1.00 0.00 N ATOM 256 CA VAL A 18 -3.445 -0.798 -2.430 1.00 0.00 C ATOM 257 C VAL A 18 -4.935 -1.082 -2.517 1.00 0.00 C ATOM 258 O VAL A 18 -5.724 -0.138 -2.574 1.00 0.00 O ATOM 259 CB VAL A 18 -3.116 -0.517 -0.958 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.520 -1.704 -0.077 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.633 -0.210 -0.755 1.00 0.00 C ATOM 0 H VAL A 18 -3.762 1.163 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.846 -1.638 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.689 0.363 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.278 -1.484 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.592 -1.879 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.978 -2.594 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.443 -0.017 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.037 -1.062 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.360 0.669 -1.339 1.00 0.00 H new ATOM 271 N ASP A 19 -5.305 -2.370 -2.524 1.00 0.00 N ATOM 272 CA ASP A 19 -6.691 -2.819 -2.534 1.00 0.00 C ATOM 273 C ASP A 19 -6.791 -4.202 -1.886 1.00 0.00 C ATOM 274 O ASP A 19 -5.801 -4.707 -1.354 1.00 0.00 O ATOM 275 CB ASP A 19 -7.194 -2.881 -3.978 1.00 0.00 C ATOM 276 CG ASP A 19 -7.308 -1.487 -4.593 1.00 0.00 C ATOM 277 OD1 ASP A 19 -8.216 -0.741 -4.169 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.486 -1.182 -5.484 1.00 0.00 O ATOM 0 H ASP A 19 -4.633 -3.137 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.305 -2.118 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.514 -3.489 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.167 -3.372 -4.005 1.00 0.00 H new ATOM 283 N ASN A 20 -7.987 -4.811 -1.933 1.00 0.00 N ATOM 284 CA ASN A 20 -8.235 -6.197 -1.532 1.00 0.00 C ATOM 285 C ASN A 20 -8.568 -6.327 -0.044 1.00 0.00 C ATOM 286 O ASN A 20 -8.275 -7.347 0.577 1.00 0.00 O ATOM 287 CB ASN A 20 -7.053 -7.077 -1.946 1.00 0.00 C ATOM 288 CG ASN A 20 -7.476 -8.491 -2.283 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.436 -8.702 -3.020 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.769 -9.481 -1.754 1.00 0.00 N ATOM 0 H ASN A 20 -8.828 -4.336 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.123 -6.549 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.558 -6.633 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.322 -7.102 -1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.017 -10.450 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.977 -9.274 -1.146 1.00 0.00 H new ATOM 297 N LEU A 21 -9.178 -5.287 0.524 1.00 0.00 N ATOM 298 CA LEU A 21 -9.571 -5.211 1.920 1.00 0.00 C ATOM 299 C LEU A 21 -10.397 -6.429 2.287 1.00 0.00 C ATOM 300 O LEU A 21 -11.299 -6.827 1.551 1.00 0.00 O ATOM 301 CB LEU A 21 -10.416 -3.951 2.132 1.00 0.00 C ATOM 302 CG LEU A 21 -9.637 -2.632 2.155 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.247 -2.308 3.589 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.372 -2.632 1.293 1.00 0.00 C ATOM 0 H LEU A 21 -9.418 -4.446 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.680 -5.176 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.163 -3.898 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.956 -4.051 3.074 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.303 -1.880 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.692 -1.370 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.146 -2.213 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.623 -3.109 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.882 -1.661 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.693 -3.409 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.640 -2.826 0.254 1.00 0.00 H new ATOM 316 N THR A 22 -10.090 -7.020 3.437 1.00 0.00 N ATOM 317 CA THR A 22 -10.841 -8.160 3.927 1.00 0.00 C ATOM 318 C THR A 22 -12.196 -7.692 4.454 1.00 0.00 C ATOM 319 O THR A 22 -12.419 -6.493 4.631 1.00 0.00 O ATOM 320 CB THR A 22 -10.038 -8.879 5.014 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.663 -8.839 4.701 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.454 -10.340 5.126 1.00 0.00 C ATOM 0 H THR A 22 -9.325 -6.725 4.044 1.00 0.00 H new ATOM 0 HA THR A 22 -11.017 -8.865 3.115 1.00 0.00 H new ATOM 0 HB THR A 22 -10.233 -8.371 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.155 -9.299 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.868 -10.827 5.905 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.513 -10.399 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.280 -10.842 4.174 1.00 0.00 H new ATOM 329 N TYR A 23 -13.106 -8.632 4.714 1.00 0.00 N ATOM 330 CA TYR A 23 -14.445 -8.349 5.227 1.00 0.00 C ATOM 331 C TYR A 23 -14.427 -7.735 6.634 1.00 0.00 C ATOM 332 O TYR A 23 -15.487 -7.516 7.224 1.00 0.00 O ATOM 333 CB TYR A 23 -15.257 -9.648 5.231 1.00 0.00 C ATOM 334 CG TYR A 23 -14.672 -10.735 6.114 1.00 0.00 C ATOM 335 CD1 TYR A 23 -15.030 -10.801 7.471 1.00 0.00 C ATOM 336 CD2 TYR A 23 -13.773 -11.666 5.577 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.488 -11.799 8.294 1.00 0.00 C ATOM 338 CE2 TYR A 23 -13.229 -12.671 6.396 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.585 -12.740 7.758 1.00 0.00 C ATOM 340 OH TYR A 23 -13.055 -13.709 8.555 1.00 0.00 O ATOM 0 H TYR A 23 -12.929 -9.626 4.571 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.904 -7.609 4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.272 -9.430 5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.330 -10.023 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.724 -10.082 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.498 -11.612 4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.762 -11.847 9.338 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.538 -13.390 5.981 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.453 -14.274 8.027 1.00 0.00 H new ATOM 350 N ARG A 24 -13.240 -7.454 7.178 1.00 0.00 N ATOM 351 CA ARG A 24 -13.058 -6.963 8.539 1.00 0.00 C ATOM 352 C ARG A 24 -12.061 -5.808 8.588 1.00 0.00 C ATOM 353 O ARG A 24 -11.525 -5.500 9.653 1.00 0.00 O ATOM 354 CB ARG A 24 -12.598 -8.136 9.405 1.00 0.00 C ATOM 355 CG ARG A 24 -11.243 -8.654 8.917 1.00 0.00 C ATOM 356 CD ARG A 24 -10.964 -10.005 9.560 1.00 0.00 C ATOM 357 NE ARG A 24 -9.649 -10.533 9.168 1.00 0.00 N ATOM 358 CZ ARG A 24 -8.490 -10.152 9.713 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.449 -9.235 10.677 1.00 0.00 N ATOM 360 NH2 ARG A 24 -7.355 -10.695 9.288 1.00 0.00 N ATOM 0 H ARG A 24 -12.362 -7.565 6.670 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.000 -6.568 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.522 -7.821 10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.337 -8.937 9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.246 -8.748 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.455 -7.946 9.174 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.008 -9.908 10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.741 -10.713 9.271 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.619 -11.237 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.313 -8.809 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.554 -8.958 11.080 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.371 -11.399 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.467 -10.408 9.700 1.00 0.00 H new ATOM 374 N THR A 25 -11.807 -5.170 7.446 1.00 0.00 N ATOM 375 CA THR A 25 -10.838 -4.079 7.343 1.00 0.00 C ATOM 376 C THR A 25 -11.530 -2.798 6.885 1.00 0.00 C ATOM 377 O THR A 25 -12.663 -2.845 6.403 1.00 0.00 O ATOM 378 CB THR A 25 -9.715 -4.489 6.384 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.382 -5.845 6.584 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.456 -3.653 6.617 1.00 0.00 C ATOM 0 H THR A 25 -12.268 -5.395 6.565 1.00 0.00 H new ATOM 0 HA THR A 25 -10.400 -3.880 8.321 1.00 0.00 H new ATOM 0 HB THR A 25 -10.076 -4.327 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.665 -6.100 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.677 -3.967 5.922 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.684 -2.599 6.455 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.108 -3.796 7.640 1.00 0.00 H new ATOM 387 N SER A 26 -10.862 -1.653 7.032 1.00 0.00 N ATOM 388 CA SER A 26 -11.442 -0.339 6.759 1.00 0.00 C ATOM 389 C SER A 26 -10.363 0.612 6.238 1.00 0.00 C ATOM 390 O SER A 26 -9.177 0.304 6.347 1.00 0.00 O ATOM 391 CB SER A 26 -12.036 0.176 8.075 1.00 0.00 C ATOM 392 OG SER A 26 -11.004 0.473 8.994 1.00 0.00 O ATOM 0 H SER A 26 -9.893 -1.612 7.347 1.00 0.00 H new ATOM 0 HA SER A 26 -12.217 -0.403 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.634 1.068 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.705 -0.573 8.498 1.00 0.00 H new ATOM 0 HG SER A 26 -11.395 0.802 9.830 1.00 0.00 H new ATOM 398 N PRO A 27 -10.738 1.772 5.676 1.00 0.00 N ATOM 399 CA PRO A 27 -9.786 2.729 5.128 1.00 0.00 C ATOM 400 C PRO A 27 -8.993 3.408 6.243 1.00 0.00 C ATOM 401 O PRO A 27 -7.833 3.758 6.058 1.00 0.00 O ATOM 402 CB PRO A 27 -10.636 3.753 4.372 1.00 0.00 C ATOM 403 CG PRO A 27 -11.963 3.722 5.125 1.00 0.00 C ATOM 404 CD PRO A 27 -12.101 2.252 5.515 1.00 0.00 C ATOM 0 HA PRO A 27 -9.056 2.245 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.184 4.745 4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.760 3.479 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.946 4.372 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.791 4.053 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.669 2.141 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.629 1.688 4.746 1.00 0.00 H new ATOM 412 N ASP A 28 -9.618 3.596 7.408 1.00 0.00 N ATOM 413 CA ASP A 28 -8.939 4.183 8.550 1.00 0.00 C ATOM 414 C ASP A 28 -7.838 3.240 9.037 1.00 0.00 C ATOM 415 O ASP A 28 -6.780 3.689 9.480 1.00 0.00 O ATOM 416 CB ASP A 28 -9.964 4.422 9.661 1.00 0.00 C ATOM 417 CG ASP A 28 -10.947 5.522 9.271 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.572 6.708 9.425 1.00 0.00 O ATOM 419 OD2 ASP A 28 -12.061 5.176 8.824 1.00 0.00 O ATOM 0 H ASP A 28 -10.593 3.348 7.578 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.481 5.131 8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.507 3.499 9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.450 4.698 10.582 1.00 0.00 H new ATOM 424 N THR A 29 -8.078 1.930 8.955 1.00 0.00 N ATOM 425 CA THR A 29 -7.061 0.967 9.330 1.00 0.00 C ATOM 426 C THR A 29 -5.985 0.950 8.250 1.00 0.00 C ATOM 427 O THR A 29 -4.797 0.966 8.555 1.00 0.00 O ATOM 428 CB THR A 29 -7.666 -0.426 9.485 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.659 -0.417 10.485 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.568 -1.406 9.890 1.00 0.00 C ATOM 0 H THR A 29 -8.957 1.523 8.636 1.00 0.00 H new ATOM 0 HA THR A 29 -6.627 1.254 10.288 1.00 0.00 H new ATOM 0 HB THR A 29 -8.112 -0.727 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.511 -0.127 10.097 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.994 -2.403 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.796 -1.426 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.129 -1.090 10.836 1.00 0.00 H new ATOM 437 N LEU A 30 -6.393 0.920 6.979 1.00 0.00 N ATOM 438 CA LEU A 30 -5.455 0.910 5.864 1.00 0.00 C ATOM 439 C LEU A 30 -4.494 2.095 5.933 1.00 0.00 C ATOM 440 O LEU A 30 -3.421 2.052 5.338 1.00 0.00 O ATOM 441 CB LEU A 30 -6.248 0.921 4.552 1.00 0.00 C ATOM 442 CG LEU A 30 -6.049 -0.326 3.687 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.659 -0.352 3.068 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.236 -1.604 4.504 1.00 0.00 C ATOM 0 H LEU A 30 -7.374 0.902 6.700 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.847 0.007 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.308 1.024 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.961 1.800 3.974 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.801 -0.282 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.548 -1.250 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.523 0.530 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.909 -0.355 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.088 -2.472 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.509 -1.626 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.244 -1.627 4.918 1.00 0.00 H new ATOM 456 N ARG A 31 -4.870 3.152 6.660 1.00 0.00 N ATOM 457 CA ARG A 31 -4.019 4.321 6.811 1.00 0.00 C ATOM 458 C ARG A 31 -2.941 4.025 7.843 1.00 0.00 C ATOM 459 O ARG A 31 -1.762 4.121 7.524 1.00 0.00 O ATOM 460 CB ARG A 31 -4.861 5.520 7.258 1.00 0.00 C ATOM 461 CG ARG A 31 -3.997 6.747 7.579 1.00 0.00 C ATOM 462 CD ARG A 31 -3.040 7.115 6.439 1.00 0.00 C ATOM 463 NE ARG A 31 -2.220 8.272 6.807 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.323 9.495 6.283 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.227 9.769 5.343 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.506 10.451 6.707 1.00 0.00 N ATOM 0 H ARG A 31 -5.762 3.215 7.151 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.549 4.559 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.573 5.774 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.442 5.246 8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.646 7.597 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.420 6.553 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.397 6.266 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.609 7.338 5.537 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.510 8.131 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.856 9.038 5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.290 10.710 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.811 10.246 7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.573 11.390 6.315 1.00 0.00 H new ATOM 480 N ARG A 32 -3.327 3.666 9.074 1.00 0.00 N ATOM 481 CA ARG A 32 -2.335 3.416 10.114 1.00 0.00 C ATOM 482 C ARG A 32 -1.460 2.206 9.783 1.00 0.00 C ATOM 483 O ARG A 32 -0.357 2.083 10.311 1.00 0.00 O ATOM 484 CB ARG A 32 -3.038 3.204 11.451 1.00 0.00 C ATOM 485 CG ARG A 32 -4.032 2.046 11.337 1.00 0.00 C ATOM 486 CD ARG A 32 -4.445 1.543 12.710 1.00 0.00 C ATOM 487 NE ARG A 32 -5.199 2.555 13.461 1.00 0.00 N ATOM 488 CZ ARG A 32 -5.650 2.383 14.707 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.439 1.242 15.355 1.00 0.00 N ATOM 490 NH2 ARG A 32 -6.312 3.361 15.317 1.00 0.00 N ATOM 0 H ARG A 32 -4.297 3.546 9.365 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.682 4.287 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.304 2.990 12.228 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.559 4.115 11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.914 2.372 10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.583 1.232 10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.053 0.645 12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.557 1.259 13.275 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.391 3.446 13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.928 0.485 14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.789 1.123 16.306 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.476 4.244 14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.656 3.228 16.268 1.00 0.00 H new ATOM 504 N VAL A 33 -1.947 1.311 8.913 1.00 0.00 N ATOM 505 CA VAL A 33 -1.237 0.084 8.588 1.00 0.00 C ATOM 506 C VAL A 33 -0.194 0.327 7.500 1.00 0.00 C ATOM 507 O VAL A 33 0.848 -0.320 7.504 1.00 0.00 O ATOM 508 CB VAL A 33 -2.244 -0.971 8.133 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.548 -2.204 7.562 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.094 -1.411 9.325 1.00 0.00 C ATOM 0 H VAL A 33 -2.835 1.422 8.424 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.713 -0.269 9.476 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.862 -0.523 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.296 -2.932 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.942 -1.915 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.908 -2.647 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.813 -2.164 9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.449 -1.833 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.627 -0.550 9.729 1.00 0.00 H new ATOM 520 N PHE A 34 -0.459 1.249 6.569 1.00 0.00 N ATOM 521 CA PHE A 34 0.471 1.570 5.497 1.00 0.00 C ATOM 522 C PHE A 34 1.235 2.870 5.755 1.00 0.00 C ATOM 523 O PHE A 34 2.185 3.174 5.040 1.00 0.00 O ATOM 524 CB PHE A 34 -0.311 1.628 4.182 1.00 0.00 C ATOM 525 CG PHE A 34 -0.450 0.278 3.509 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.430 -0.620 3.954 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.397 -0.088 2.450 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.576 -1.867 3.336 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.256 -1.339 1.835 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.734 -2.230 2.275 1.00 0.00 C ATOM 0 H PHE A 34 -1.324 1.789 6.543 1.00 0.00 H new ATOM 0 HA PHE A 34 1.231 0.791 5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.304 2.034 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.188 2.317 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.075 -0.349 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.159 0.597 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.339 -2.551 3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.910 -1.617 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.847 -3.192 1.798 1.00 0.00 H new ATOM 540 N GLU A 35 0.843 3.647 6.766 1.00 0.00 N ATOM 541 CA GLU A 35 1.544 4.883 7.099 1.00 0.00 C ATOM 542 C GLU A 35 2.903 4.590 7.737 1.00 0.00 C ATOM 543 O GLU A 35 3.814 5.410 7.642 1.00 0.00 O ATOM 544 CB GLU A 35 0.664 5.715 8.035 1.00 0.00 C ATOM 545 CG GLU A 35 1.384 6.967 8.534 1.00 0.00 C ATOM 546 CD GLU A 35 0.412 7.891 9.259 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.205 7.682 10.475 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.121 8.803 8.587 1.00 0.00 O ATOM 0 H GLU A 35 0.045 3.441 7.366 1.00 0.00 H new ATOM 0 HA GLU A 35 1.734 5.447 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.248 6.005 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.363 5.106 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.195 6.684 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.836 7.493 7.693 1.00 0.00 H new ATOM 555 N LYS A 36 3.054 3.427 8.385 1.00 0.00 N ATOM 556 CA LYS A 36 4.296 3.081 9.064 1.00 0.00 C ATOM 557 C LYS A 36 5.440 2.843 8.078 1.00 0.00 C ATOM 558 O LYS A 36 6.608 2.966 8.440 1.00 0.00 O ATOM 559 CB LYS A 36 4.084 1.852 9.950 1.00 0.00 C ATOM 560 CG LYS A 36 3.731 0.600 9.146 1.00 0.00 C ATOM 561 CD LYS A 36 3.518 -0.571 10.100 1.00 0.00 C ATOM 562 CE LYS A 36 3.190 -1.843 9.314 1.00 0.00 C ATOM 563 NZ LYS A 36 2.991 -2.991 10.214 1.00 0.00 N ATOM 0 H LYS A 36 2.327 2.714 8.449 1.00 0.00 H new ATOM 0 HA LYS A 36 4.581 3.928 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.989 1.665 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.287 2.057 10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.829 0.774 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.530 0.369 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.414 -0.727 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.707 -0.343 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.290 -1.684 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.999 -2.061 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.770 -3.838 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.859 -3.156 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.203 -2.791 10.863 1.00 0.00 H new ATOM 577 N TYR A 37 5.106 2.506 6.830 1.00 0.00 N ATOM 578 CA TYR A 37 6.098 2.311 5.781 1.00 0.00 C ATOM 579 C TYR A 37 6.669 3.649 5.310 1.00 0.00 C ATOM 580 O TYR A 37 7.712 3.679 4.659 1.00 0.00 O ATOM 581 CB TYR A 37 5.472 1.547 4.612 1.00 0.00 C ATOM 582 CG TYR A 37 5.103 0.134 4.994 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.882 -0.127 5.633 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.987 -0.916 4.718 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.546 -1.435 6.010 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.658 -2.230 5.084 1.00 0.00 C ATOM 587 CZ TYR A 37 4.438 -2.495 5.735 1.00 0.00 C ATOM 588 OH TYR A 37 4.126 -3.773 6.094 1.00 0.00 O ATOM 0 H TYR A 37 4.144 2.362 6.524 1.00 0.00 H new ATOM 0 HA TYR A 37 6.923 1.724 6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.582 2.074 4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.172 1.526 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.197 0.683 5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.925 -0.714 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.608 -1.631 6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.341 -3.038 4.866 1.00 0.00 H new ATOM 0 HH TYR A 37 4.852 -4.374 5.827 1.00 0.00 H new ATOM 598 N GLY A 38 5.998 4.758 5.635 1.00 0.00 N ATOM 599 CA GLY A 38 6.537 6.081 5.383 1.00 0.00 C ATOM 600 C GLY A 38 5.457 7.157 5.377 1.00 0.00 C ATOM 601 O GLY A 38 5.443 8.017 6.255 1.00 0.00 O ATOM 0 H GLY A 38 5.078 4.756 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.279 6.319 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.054 6.083 4.423 1.00 0.00 H new ATOM 605 N ARG A 39 4.555 7.106 4.389 1.00 0.00 N ATOM 606 CA ARG A 39 3.529 8.122 4.209 1.00 0.00 C ATOM 607 C ARG A 39 2.438 7.623 3.257 1.00 0.00 C ATOM 608 O ARG A 39 2.613 6.600 2.598 1.00 0.00 O ATOM 609 CB ARG A 39 4.208 9.378 3.641 1.00 0.00 C ATOM 610 CG ARG A 39 5.171 9.000 2.506 1.00 0.00 C ATOM 611 CD ARG A 39 5.765 10.238 1.842 1.00 0.00 C ATOM 612 NE ARG A 39 6.738 10.892 2.718 1.00 0.00 N ATOM 613 CZ ARG A 39 7.993 10.463 2.904 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.450 9.374 2.288 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.803 11.134 3.716 1.00 0.00 N ATOM 0 H ARG A 39 4.522 6.358 3.697 1.00 0.00 H new ATOM 0 HA ARG A 39 3.051 8.349 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.453 10.071 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.753 9.894 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.974 8.377 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.642 8.405 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.246 9.956 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.968 10.938 1.593 1.00 0.00 H new ATOM 0 HE ARG A 39 6.441 11.729 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.841 8.849 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.409 9.065 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.468 11.971 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.760 10.812 3.862 1.00 0.00 H new ATOM 629 N VAL A 40 1.325 8.355 3.191 1.00 0.00 N ATOM 630 CA VAL A 40 0.198 8.024 2.328 1.00 0.00 C ATOM 631 C VAL A 40 -0.374 9.318 1.761 1.00 0.00 C ATOM 632 O VAL A 40 -0.548 10.287 2.496 1.00 0.00 O ATOM 633 CB VAL A 40 -0.884 7.297 3.138 1.00 0.00 C ATOM 634 CG1 VAL A 40 -2.067 6.919 2.254 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.333 6.020 3.782 1.00 0.00 C ATOM 0 H VAL A 40 1.182 9.202 3.742 1.00 0.00 H new ATOM 0 HA VAL A 40 0.530 7.373 1.519 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.211 7.985 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.819 6.405 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.501 7.821 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.728 6.260 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.124 5.528 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.029 5.347 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.488 6.275 4.452 1.00 0.00 H new ATOM 645 N GLY A 41 -0.668 9.336 0.459 1.00 0.00 N ATOM 646 CA GLY A 41 -1.231 10.502 -0.195 1.00 0.00 C ATOM 647 C GLY A 41 -2.745 10.382 -0.327 1.00 0.00 C ATOM 648 O GLY A 41 -3.431 11.395 -0.463 1.00 0.00 O ATOM 0 H GLY A 41 -0.520 8.541 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.983 11.397 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.785 10.619 -1.183 1.00 0.00 H new ATOM 652 N ASP A 42 -3.269 9.152 -0.282 1.00 0.00 N ATOM 653 CA ASP A 42 -4.708 8.936 -0.307 1.00 0.00 C ATOM 654 C ASP A 42 -5.050 7.566 0.265 1.00 0.00 C ATOM 655 O ASP A 42 -4.213 6.669 0.250 1.00 0.00 O ATOM 656 CB ASP A 42 -5.204 9.040 -1.754 1.00 0.00 C ATOM 657 CG ASP A 42 -6.727 8.990 -1.840 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.376 9.425 -0.862 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.230 8.520 -2.884 1.00 0.00 O ATOM 0 H ASP A 42 -2.715 8.297 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.197 9.694 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.846 9.971 -2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.780 8.226 -2.342 1.00 0.00 H new ATOM 664 N VAL A 43 -6.277 7.410 0.768 1.00 0.00 N ATOM 665 CA VAL A 43 -6.793 6.169 1.332 1.00 0.00 C ATOM 666 C VAL A 43 -8.293 6.301 1.598 1.00 0.00 C ATOM 667 O VAL A 43 -8.692 6.887 2.603 1.00 0.00 O ATOM 668 CB VAL A 43 -6.027 5.814 2.617 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.814 7.004 3.553 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.724 4.699 3.395 1.00 0.00 C ATOM 0 H VAL A 43 -6.957 8.170 0.793 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.645 5.359 0.618 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.048 5.478 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.267 6.678 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.242 7.775 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.781 7.409 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.155 4.474 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.728 5.020 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.787 3.806 2.773 1.00 0.00 H new ATOM 680 N TYR A 44 -9.138 5.762 0.713 1.00 0.00 N ATOM 681 CA TYR A 44 -10.574 5.795 0.970 1.00 0.00 C ATOM 682 C TYR A 44 -11.369 4.769 0.158 1.00 0.00 C ATOM 683 O TYR A 44 -10.811 4.038 -0.664 1.00 0.00 O ATOM 684 CB TYR A 44 -11.093 7.229 0.836 1.00 0.00 C ATOM 685 CG TYR A 44 -11.702 7.657 -0.477 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.026 7.505 -1.701 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.982 8.232 -0.440 1.00 0.00 C ATOM 688 CE1 TYR A 44 -11.644 7.924 -2.888 1.00 0.00 C ATOM 689 CE2 TYR A 44 -13.592 8.670 -1.619 1.00 0.00 C ATOM 690 CZ TYR A 44 -12.923 8.511 -2.849 1.00 0.00 C ATOM 691 OH TYR A 44 -13.518 8.919 -3.999 1.00 0.00 O ATOM 0 H TYR A 44 -8.861 5.312 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.737 5.478 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.840 7.385 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.264 7.903 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.038 7.069 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.498 8.336 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.138 7.796 -3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.570 9.127 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.397 9.301 -3.795 1.00 0.00 H new ATOM 701 N ILE A 45 -12.685 4.731 0.410 1.00 0.00 N ATOM 702 CA ILE A 45 -13.620 3.782 -0.188 1.00 0.00 C ATOM 703 C ILE A 45 -14.448 4.556 -1.215 1.00 0.00 C ATOM 704 O ILE A 45 -15.409 5.234 -0.851 1.00 0.00 O ATOM 705 CB ILE A 45 -14.503 3.150 0.903 1.00 0.00 C ATOM 706 CG1 ILE A 45 -13.704 2.780 2.153 1.00 0.00 C ATOM 707 CG2 ILE A 45 -15.189 1.889 0.379 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.645 1.717 1.864 1.00 0.00 C ATOM 0 H ILE A 45 -13.136 5.380 1.055 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.097 2.962 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.245 3.902 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.222 3.672 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -14.384 2.414 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.808 1.458 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.815 2.144 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.434 1.164 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.102 1.486 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.128 0.814 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.948 2.092 1.115 1.00 0.00 H new ATOM 720 N PRO A 46 -14.079 4.465 -2.498 1.00 0.00 N ATOM 721 CA PRO A 46 -14.576 5.346 -3.539 1.00 0.00 C ATOM 722 C PRO A 46 -15.946 4.993 -4.116 1.00 0.00 C ATOM 723 O PRO A 46 -16.754 5.892 -4.343 1.00 0.00 O ATOM 724 CB PRO A 46 -13.533 5.205 -4.643 1.00 0.00 C ATOM 725 CG PRO A 46 -13.065 3.755 -4.522 1.00 0.00 C ATOM 726 CD PRO A 46 -13.099 3.526 -3.018 1.00 0.00 C ATOM 0 HA PRO A 46 -14.715 6.345 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.961 5.406 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.708 5.904 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.726 3.069 -5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.065 3.615 -4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.379 2.499 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.119 3.698 -2.574 1.00 0.00 H new ATOM 734 N ARG A 47 -16.231 3.709 -4.365 1.00 0.00 N ATOM 735 CA ARG A 47 -17.453 3.346 -5.068 1.00 0.00 C ATOM 736 C ARG A 47 -18.678 3.589 -4.193 1.00 0.00 C ATOM 737 O ARG A 47 -18.580 3.588 -2.967 1.00 0.00 O ATOM 738 CB ARG A 47 -17.372 1.901 -5.568 1.00 0.00 C ATOM 739 CG ARG A 47 -16.223 1.702 -6.568 1.00 0.00 C ATOM 740 CD ARG A 47 -16.346 2.648 -7.763 1.00 0.00 C ATOM 741 NE ARG A 47 -15.238 2.487 -8.711 1.00 0.00 N ATOM 742 CZ ARG A 47 -14.941 3.389 -9.650 1.00 0.00 C ATOM 743 NH1 ARG A 47 -15.657 4.502 -9.759 1.00 0.00 N ATOM 744 NH2 ARG A 47 -13.932 3.198 -10.493 1.00 0.00 N ATOM 0 H ARG A 47 -15.641 2.923 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.560 3.987 -5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.234 1.231 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.315 1.627 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.270 1.871 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -16.220 0.670 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -17.290 2.463 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.372 3.678 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.666 1.645 -8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.437 4.671 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.427 5.188 -10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.368 2.350 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.721 3.899 -11.203 1.00 0.00 H new ATOM 758 N ASP A 48 -19.827 3.795 -4.845 1.00 0.00 N ATOM 759 CA ASP A 48 -21.082 4.164 -4.209 1.00 0.00 C ATOM 760 C ASP A 48 -20.875 5.125 -3.045 1.00 0.00 C ATOM 761 O ASP A 48 -21.042 4.763 -1.881 1.00 0.00 O ATOM 762 CB ASP A 48 -21.865 2.916 -3.823 1.00 0.00 C ATOM 763 CG ASP A 48 -22.024 1.959 -5.000 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.844 2.274 -5.891 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.327 0.918 -5.002 1.00 0.00 O ATOM 0 H ASP A 48 -19.905 3.705 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.685 4.715 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.355 2.405 -3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.849 3.204 -3.454 1.00 0.00 H new ATOM 770 N ARG A 49 -20.500 6.361 -3.389 1.00 0.00 N ATOM 771 CA ARG A 49 -20.113 7.431 -2.471 1.00 0.00 C ATOM 772 C ARG A 49 -21.160 7.807 -1.413 1.00 0.00 C ATOM 773 O ARG A 49 -20.949 8.763 -0.669 1.00 0.00 O ATOM 774 CB ARG A 49 -19.672 8.634 -3.324 1.00 0.00 C ATOM 775 CG ARG A 49 -20.841 9.433 -3.897 1.00 0.00 C ATOM 776 CD ARG A 49 -20.296 10.477 -4.870 1.00 0.00 C ATOM 777 NE ARG A 49 -21.364 11.331 -5.399 1.00 0.00 N ATOM 778 CZ ARG A 49 -21.144 12.451 -6.091 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.906 12.860 -6.346 1.00 0.00 N ATOM 780 NH2 ARG A 49 -22.173 13.168 -6.538 1.00 0.00 N ATOM 0 H ARG A 49 -20.457 6.655 -4.365 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.291 7.064 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.054 9.294 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.048 8.279 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.537 8.768 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.395 9.919 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.553 11.094 -4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.787 9.977 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.331 11.053 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.110 12.316 -6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.751 13.718 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.128 12.861 -6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -22.007 14.024 -7.067 1.00 0.00 H new ATOM 794 N TYR A 50 -22.274 7.075 -1.336 1.00 0.00 N ATOM 795 CA TYR A 50 -23.343 7.306 -0.368 1.00 0.00 C ATOM 796 C TYR A 50 -24.002 5.999 0.095 1.00 0.00 C ATOM 797 O TYR A 50 -24.932 6.038 0.897 1.00 0.00 O ATOM 798 CB TYR A 50 -24.386 8.226 -1.001 1.00 0.00 C ATOM 799 CG TYR A 50 -24.661 7.827 -2.424 1.00 0.00 C ATOM 800 CD1 TYR A 50 -25.575 6.806 -2.711 1.00 0.00 C ATOM 801 CD2 TYR A 50 -23.957 8.458 -3.451 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.741 6.375 -4.031 1.00 0.00 C ATOM 803 CE2 TYR A 50 -24.092 8.019 -4.774 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.995 6.974 -5.069 1.00 0.00 C ATOM 805 OH TYR A 50 -25.149 6.541 -6.352 1.00 0.00 O ATOM 0 H TYR A 50 -22.460 6.289 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 50 -22.909 7.771 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -25.310 8.187 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -24.034 9.257 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -26.149 6.353 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -23.305 9.289 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -26.440 5.583 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -23.511 8.475 -5.562 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.564 7.058 -6.944 1.00 0.00 H new ATOM 815 N THR A 51 -23.532 4.848 -0.394 1.00 0.00 N ATOM 816 CA THR A 51 -23.999 3.545 0.083 1.00 0.00 C ATOM 817 C THR A 51 -22.828 2.735 0.634 1.00 0.00 C ATOM 818 O THR A 51 -23.025 1.710 1.284 1.00 0.00 O ATOM 819 CB THR A 51 -24.692 2.729 -1.013 1.00 0.00 C ATOM 820 OG1 THR A 51 -23.742 1.998 -1.745 1.00 0.00 O ATOM 821 CG2 THR A 51 -25.496 3.595 -1.974 1.00 0.00 C ATOM 0 H THR A 51 -22.823 4.793 -1.125 1.00 0.00 H new ATOM 0 HA THR A 51 -24.729 3.745 0.867 1.00 0.00 H new ATOM 0 HB THR A 51 -25.387 2.058 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.195 1.479 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.964 2.963 -2.728 1.00 0.00 H new ATOM 0 HG22 THR A 51 -26.267 4.132 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 51 -24.833 4.310 -2.461 1.00 0.00 H new ATOM 828 N LYS A 52 -21.614 3.221 0.359 1.00 0.00 N ATOM 829 CA LYS A 52 -20.323 2.635 0.690 1.00 0.00 C ATOM 830 C LYS A 52 -20.263 1.122 0.473 1.00 0.00 C ATOM 831 O LYS A 52 -19.517 0.423 1.157 1.00 0.00 O ATOM 832 CB LYS A 52 -19.830 3.078 2.079 1.00 0.00 C ATOM 833 CG LYS A 52 -20.702 2.600 3.245 1.00 0.00 C ATOM 834 CD LYS A 52 -21.741 3.649 3.637 1.00 0.00 C ATOM 835 CE LYS A 52 -22.615 3.114 4.773 1.00 0.00 C ATOM 836 NZ LYS A 52 -23.621 4.114 5.185 1.00 0.00 N ATOM 0 H LYS A 52 -21.506 4.104 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.611 3.038 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.815 2.708 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.779 4.167 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.206 1.674 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.070 2.374 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.244 4.567 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -22.361 3.900 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -23.116 2.201 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.989 2.851 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -24.200 3.726 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -23.140 4.976 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -24.232 4.345 4.376 1.00 0.00 H new ATOM 850 N GLU A 53 -21.047 0.607 -0.479 1.00 0.00 N ATOM 851 CA GLU A 53 -20.979 -0.777 -0.887 1.00 0.00 C ATOM 852 C GLU A 53 -19.683 -1.012 -1.662 1.00 0.00 C ATOM 853 O GLU A 53 -18.844 -0.119 -1.799 1.00 0.00 O ATOM 854 CB GLU A 53 -22.206 -1.107 -1.745 1.00 0.00 C ATOM 855 CG GLU A 53 -23.472 -1.190 -0.889 1.00 0.00 C ATOM 856 CD GLU A 53 -23.382 -2.308 0.150 1.00 0.00 C ATOM 857 OE1 GLU A 53 -22.910 -3.409 -0.222 1.00 0.00 O ATOM 858 OE2 GLU A 53 -23.777 -2.060 1.311 1.00 0.00 O ATOM 0 H GLU A 53 -21.747 1.151 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.980 -1.432 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.332 -0.344 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.049 -2.055 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.633 -0.237 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.335 -1.360 -1.532 1.00 0.00 H new ATOM 865 N SER A 54 -19.530 -2.235 -2.170 1.00 0.00 N ATOM 866 CA SER A 54 -18.321 -2.700 -2.848 1.00 0.00 C ATOM 867 C SER A 54 -17.054 -2.429 -2.023 1.00 0.00 C ATOM 868 O SER A 54 -15.959 -2.319 -2.565 1.00 0.00 O ATOM 869 CB SER A 54 -18.246 -2.098 -4.254 1.00 0.00 C ATOM 870 OG SER A 54 -17.383 -2.873 -5.057 1.00 0.00 O ATOM 0 H SER A 54 -20.260 -2.946 -2.120 1.00 0.00 H new ATOM 0 HA SER A 54 -18.378 -3.784 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.240 -2.064 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.885 -1.071 -4.202 1.00 0.00 H new ATOM 0 HG SER A 54 -17.338 -2.486 -5.956 1.00 0.00 H new ATOM 876 N ARG A 55 -17.222 -2.325 -0.698 1.00 0.00 N ATOM 877 CA ARG A 55 -16.167 -2.089 0.292 1.00 0.00 C ATOM 878 C ARG A 55 -15.097 -3.183 0.338 1.00 0.00 C ATOM 879 O ARG A 55 -14.271 -3.185 1.247 1.00 0.00 O ATOM 880 CB ARG A 55 -16.827 -1.881 1.664 1.00 0.00 C ATOM 881 CG ARG A 55 -17.708 -3.062 2.100 1.00 0.00 C ATOM 882 CD ARG A 55 -16.947 -4.159 2.844 1.00 0.00 C ATOM 883 NE ARG A 55 -16.695 -3.785 4.243 1.00 0.00 N ATOM 884 CZ ARG A 55 -15.501 -3.495 4.770 1.00 0.00 C ATOM 885 NH1 ARG A 55 -14.395 -3.491 4.034 1.00 0.00 N ATOM 886 NH2 ARG A 55 -15.409 -3.200 6.060 1.00 0.00 N ATOM 0 H ARG A 55 -18.143 -2.407 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.622 -1.194 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.051 -1.720 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -17.434 -0.976 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -18.508 -2.689 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.181 -3.495 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.519 -5.086 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.999 -4.351 2.341 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.501 -3.743 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.443 -3.713 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.498 -3.266 4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.246 -3.195 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.501 -2.978 6.469 1.00 0.00 H new ATOM 900 N GLY A 56 -15.091 -4.112 -0.619 1.00 0.00 N ATOM 901 CA GLY A 56 -14.099 -5.177 -0.693 1.00 0.00 C ATOM 902 C GLY A 56 -12.695 -4.642 -0.981 1.00 0.00 C ATOM 903 O GLY A 56 -11.756 -5.422 -1.105 1.00 0.00 O ATOM 0 H GLY A 56 -15.782 -4.144 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.090 -5.728 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.384 -5.883 -1.473 1.00 0.00 H new ATOM 907 N PHE A 57 -12.543 -3.318 -1.094 1.00 0.00 N ATOM 908 CA PHE A 57 -11.255 -2.682 -1.309 1.00 0.00 C ATOM 909 C PHE A 57 -11.283 -1.238 -0.818 1.00 0.00 C ATOM 910 O PHE A 57 -12.343 -0.675 -0.545 1.00 0.00 O ATOM 911 CB PHE A 57 -10.897 -2.755 -2.797 1.00 0.00 C ATOM 912 CG PHE A 57 -11.854 -2.028 -3.717 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.128 -2.555 -3.969 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.460 -0.830 -4.327 1.00 0.00 C ATOM 915 CE1 PHE A 57 -14.005 -1.882 -4.832 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.329 -0.165 -5.200 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.602 -0.691 -5.455 1.00 0.00 C ATOM 0 H PHE A 57 -13.320 -2.660 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.490 -3.207 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.898 -2.343 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.854 -3.803 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.434 -3.478 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.483 -0.418 -4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.991 -2.281 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.018 0.753 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.273 -0.180 -6.130 1.00 0.00 H new ATOM 927 N ALA A 58 -10.093 -0.644 -0.713 1.00 0.00 N ATOM 928 CA ALA A 58 -9.897 0.724 -0.279 1.00 0.00 C ATOM 929 C ALA A 58 -8.687 1.264 -1.022 1.00 0.00 C ATOM 930 O ALA A 58 -7.553 0.957 -0.663 1.00 0.00 O ATOM 931 CB ALA A 58 -9.666 0.777 1.230 1.00 0.00 C ATOM 0 H ALA A 58 -9.220 -1.122 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.780 1.326 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.520 1.812 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.532 0.362 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.780 0.195 1.483 1.00 0.00 H new ATOM 937 N PHE A 59 -8.922 2.064 -2.066 1.00 0.00 N ATOM 938 CA PHE A 59 -7.834 2.566 -2.881 1.00 0.00 C ATOM 939 C PHE A 59 -7.030 3.554 -2.051 1.00 0.00 C ATOM 940 O PHE A 59 -7.548 4.583 -1.619 1.00 0.00 O ATOM 941 CB PHE A 59 -8.393 3.208 -4.155 1.00 0.00 C ATOM 942 CG PHE A 59 -7.342 3.888 -5.012 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.021 5.230 -4.765 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.691 3.196 -6.047 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.050 5.879 -5.539 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.705 3.840 -6.807 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.378 5.178 -6.553 1.00 0.00 C ATOM 0 H PHE A 59 -9.850 2.371 -2.358 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.175 1.755 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.891 2.441 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.152 3.940 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.525 5.766 -3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.950 2.169 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.819 6.918 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.195 3.302 -7.592 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.612 5.669 -7.135 1.00 0.00 H new ATOM 957 N VAL A 60 -5.755 3.229 -1.835 1.00 0.00 N ATOM 958 CA VAL A 60 -4.835 4.149 -1.175 1.00 0.00 C ATOM 959 C VAL A 60 -3.711 4.447 -2.144 1.00 0.00 C ATOM 960 O VAL A 60 -3.578 3.728 -3.132 1.00 0.00 O ATOM 961 CB VAL A 60 -4.293 3.583 0.147 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.297 2.649 0.816 1.00 0.00 C ATOM 963 CG2 VAL A 60 -2.963 2.848 -0.043 1.00 0.00 C ATOM 0 H VAL A 60 -5.339 2.338 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.365 5.064 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.124 4.443 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.877 2.270 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.216 3.195 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.517 1.814 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.618 2.465 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.102 2.018 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.221 3.537 -0.446 1.00 0.00 H new ATOM 973 N ARG A 61 -2.909 5.484 -1.889 1.00 0.00 N ATOM 974 CA ARG A 61 -1.825 5.808 -2.800 1.00 0.00 C ATOM 975 C ARG A 61 -0.591 6.329 -2.071 1.00 0.00 C ATOM 976 O ARG A 61 -0.713 6.954 -1.015 1.00 0.00 O ATOM 977 CB ARG A 61 -2.335 6.801 -3.857 1.00 0.00 C ATOM 978 CG ARG A 61 -2.052 8.255 -3.473 1.00 0.00 C ATOM 979 CD ARG A 61 -2.803 9.210 -4.398 1.00 0.00 C ATOM 980 NE ARG A 61 -2.538 8.899 -5.805 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.454 8.985 -6.774 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.678 9.424 -6.511 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.141 8.627 -8.015 1.00 0.00 N ATOM 0 H ARG A 61 -2.991 6.097 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.504 4.894 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.863 6.582 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.408 6.665 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.352 8.429 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.981 8.451 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.873 9.144 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.504 10.237 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.597 8.599 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.928 9.700 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.369 9.486 -7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.203 8.287 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.839 8.692 -8.756 1.00 0.00 H new ATOM 997 N PHE A 62 0.586 6.063 -2.655 1.00 0.00 N ATOM 998 CA PHE A 62 1.875 6.487 -2.101 1.00 0.00 C ATOM 999 C PHE A 62 2.586 7.450 -3.043 1.00 0.00 C ATOM 1000 O PHE A 62 2.220 7.558 -4.213 1.00 0.00 O ATOM 1001 CB PHE A 62 2.789 5.286 -1.847 1.00 0.00 C ATOM 1002 CG PHE A 62 2.502 4.505 -0.587 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.248 3.908 -0.374 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.513 4.375 0.375 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.008 3.194 0.810 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.278 3.649 1.548 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.029 3.058 1.761 1.00 0.00 C ATOM 0 H PHE A 62 0.668 5.545 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 62 1.665 6.989 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.715 4.609 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.820 5.638 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.471 3.998 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.476 4.836 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.039 2.751 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.059 3.546 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.850 2.493 2.664 1.00 0.00 H new ATOM 1017 N HIS A 63 3.606 8.146 -2.524 1.00 0.00 N ATOM 1018 CA HIS A 63 4.241 9.249 -3.232 1.00 0.00 C ATOM 1019 C HIS A 63 5.638 8.919 -3.737 1.00 0.00 C ATOM 1020 O HIS A 63 6.077 9.501 -4.722 1.00 0.00 O ATOM 1021 CB HIS A 63 4.433 10.437 -2.278 1.00 0.00 C ATOM 1022 CG HIS A 63 3.396 10.627 -1.205 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.490 11.687 -1.132 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.223 9.809 -0.123 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.811 11.498 0.010 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.229 10.379 0.631 1.00 0.00 N ATOM 0 H HIS A 63 4.008 7.956 -1.606 1.00 0.00 H new ATOM 0 HA HIS A 63 3.583 9.467 -4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.404 10.330 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.473 11.348 -2.875 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.370 12.445 -1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.761 8.898 0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.036 12.153 0.380 1.00 0.00 H new ATOM 1034 N ASP A 64 6.342 7.996 -3.078 1.00 0.00 N ATOM 1035 CA ASP A 64 7.750 7.791 -3.369 1.00 0.00 C ATOM 1036 C ASP A 64 7.987 6.366 -3.820 1.00 0.00 C ATOM 1037 O ASP A 64 7.281 5.447 -3.406 1.00 0.00 O ATOM 1038 CB ASP A 64 8.574 8.105 -2.120 1.00 0.00 C ATOM 1039 CG ASP A 64 9.883 8.799 -2.483 1.00 0.00 C ATOM 1040 OD1 ASP A 64 10.459 8.439 -3.534 1.00 0.00 O ATOM 1041 OD2 ASP A 64 10.299 9.688 -1.706 1.00 0.00 O ATOM 0 H ASP A 64 5.961 7.390 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 64 8.057 8.458 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.996 8.741 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.786 7.182 -1.580 1.00 0.00 H new ATOM 1046 N LYS A 65 8.985 6.167 -4.682 1.00 0.00 N ATOM 1047 CA LYS A 65 9.266 4.841 -5.182 1.00 0.00 C ATOM 1048 C LYS A 65 9.729 3.940 -4.046 1.00 0.00 C ATOM 1049 O LYS A 65 9.249 2.816 -3.943 1.00 0.00 O ATOM 1050 CB LYS A 65 10.292 4.951 -6.310 1.00 0.00 C ATOM 1051 CG LYS A 65 10.793 3.590 -6.802 1.00 0.00 C ATOM 1052 CD LYS A 65 9.666 2.639 -7.220 1.00 0.00 C ATOM 1053 CE LYS A 65 8.712 3.265 -8.239 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.403 3.603 -9.499 1.00 0.00 N ATOM 0 H LYS A 65 9.598 6.901 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 65 8.366 4.382 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.848 5.492 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.141 5.541 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.462 3.742 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.380 3.121 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.099 1.733 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.102 2.340 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.896 2.573 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.267 4.165 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.724 4.025 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.166 4.283 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.806 2.740 -9.916 1.00 0.00 H new ATOM 1068 N ARG A 66 10.645 4.417 -3.194 1.00 0.00 N ATOM 1069 CA ARG A 66 11.214 3.581 -2.143 1.00 0.00 C ATOM 1070 C ARG A 66 10.199 3.171 -1.077 1.00 0.00 C ATOM 1071 O ARG A 66 10.230 2.027 -0.626 1.00 0.00 O ATOM 1072 CB ARG A 66 12.452 4.233 -1.515 1.00 0.00 C ATOM 1073 CG ARG A 66 12.219 5.587 -0.841 1.00 0.00 C ATOM 1074 CD ARG A 66 12.367 6.751 -1.818 1.00 0.00 C ATOM 1075 NE ARG A 66 13.733 6.840 -2.348 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.090 7.603 -3.386 1.00 0.00 C ATOM 1077 NH1 ARG A 66 13.199 8.357 -4.023 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.357 7.616 -3.793 1.00 0.00 N ATOM 0 H ARG A 66 11.003 5.372 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 66 11.526 2.658 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.866 3.547 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.207 4.359 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.221 5.606 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.928 5.710 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.664 6.627 -2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.109 7.683 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 66 14.457 6.283 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.225 8.360 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.490 8.933 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.053 7.045 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.632 8.197 -4.585 1.00 0.00 H new ATOM 1092 N ASP A 67 9.297 4.067 -0.658 1.00 0.00 N ATOM 1093 CA ASP A 67 8.352 3.700 0.392 1.00 0.00 C ATOM 1094 C ASP A 67 7.184 2.896 -0.180 1.00 0.00 C ATOM 1095 O ASP A 67 6.449 2.245 0.560 1.00 0.00 O ATOM 1096 CB ASP A 67 7.894 4.929 1.194 1.00 0.00 C ATOM 1097 CG ASP A 67 7.218 6.028 0.375 1.00 0.00 C ATOM 1098 OD1 ASP A 67 6.539 5.696 -0.618 1.00 0.00 O ATOM 1099 OD2 ASP A 67 7.391 7.207 0.759 1.00 0.00 O ATOM 0 H ASP A 67 9.205 5.017 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 67 8.865 3.050 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.203 4.599 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.760 5.356 1.700 1.00 0.00 H new ATOM 1104 N ALA A 68 7.024 2.939 -1.506 1.00 0.00 N ATOM 1105 CA ALA A 68 5.956 2.249 -2.194 1.00 0.00 C ATOM 1106 C ALA A 68 6.368 0.812 -2.497 1.00 0.00 C ATOM 1107 O ALA A 68 5.609 -0.119 -2.246 1.00 0.00 O ATOM 1108 CB ALA A 68 5.706 2.983 -3.502 1.00 0.00 C ATOM 0 H ALA A 68 7.643 3.461 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 68 5.059 2.230 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.904 2.488 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.420 4.014 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.615 2.974 -4.104 1.00 0.00 H new ATOM 1114 N GLU A 69 7.575 0.623 -3.039 1.00 0.00 N ATOM 1115 CA GLU A 69 8.027 -0.718 -3.354 1.00 0.00 C ATOM 1116 C GLU A 69 8.267 -1.515 -2.073 1.00 0.00 C ATOM 1117 O GLU A 69 8.197 -2.742 -2.093 1.00 0.00 O ATOM 1118 CB GLU A 69 9.288 -0.689 -4.220 1.00 0.00 C ATOM 1119 CG GLU A 69 10.482 -0.097 -3.469 1.00 0.00 C ATOM 1120 CD GLU A 69 11.786 -0.365 -4.209 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.150 0.465 -5.071 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.416 -1.407 -3.909 1.00 0.00 O ATOM 0 H GLU A 69 8.236 1.367 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 69 7.243 -1.212 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.529 -1.701 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.098 -0.103 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.343 0.977 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.534 -0.525 -2.468 1.00 0.00 H new ATOM 1129 N ASP A 70 8.547 -0.835 -0.956 1.00 0.00 N ATOM 1130 CA ASP A 70 8.765 -1.524 0.302 1.00 0.00 C ATOM 1131 C ASP A 70 7.443 -2.019 0.877 1.00 0.00 C ATOM 1132 O ASP A 70 7.348 -3.176 1.284 1.00 0.00 O ATOM 1133 CB ASP A 70 9.459 -0.574 1.280 1.00 0.00 C ATOM 1134 CG ASP A 70 9.838 -1.290 2.572 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.605 -2.274 2.482 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.364 -0.851 3.642 1.00 0.00 O ATOM 0 H ASP A 70 8.626 0.181 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 70 9.401 -2.393 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.354 -0.160 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.800 0.264 1.506 1.00 0.00 H new ATOM 1141 N ALA A 71 6.414 -1.164 0.916 1.00 0.00 N ATOM 1142 CA ALA A 71 5.118 -1.576 1.439 1.00 0.00 C ATOM 1143 C ALA A 71 4.521 -2.690 0.581 1.00 0.00 C ATOM 1144 O ALA A 71 3.815 -3.559 1.087 1.00 0.00 O ATOM 1145 CB ALA A 71 4.186 -0.368 1.470 1.00 0.00 C ATOM 0 H ALA A 71 6.457 -0.197 0.595 1.00 0.00 H new ATOM 0 HA ALA A 71 5.244 -1.964 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.214 -0.669 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.612 0.404 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.066 0.025 0.460 1.00 0.00 H new ATOM 1151 N MET A 72 4.810 -2.663 -0.723 1.00 0.00 N ATOM 1152 CA MET A 72 4.367 -3.691 -1.647 1.00 0.00 C ATOM 1153 C MET A 72 5.172 -4.969 -1.432 1.00 0.00 C ATOM 1154 O MET A 72 4.608 -6.059 -1.422 1.00 0.00 O ATOM 1155 CB MET A 72 4.581 -3.153 -3.059 1.00 0.00 C ATOM 1156 CG MET A 72 4.541 -4.231 -4.136 1.00 0.00 C ATOM 1157 SD MET A 72 4.373 -3.567 -5.818 1.00 0.00 S ATOM 1158 CE MET A 72 5.556 -2.195 -5.770 1.00 0.00 C ATOM 0 H MET A 72 5.359 -1.923 -1.161 1.00 0.00 H new ATOM 0 HA MET A 72 3.316 -3.932 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.816 -2.407 -3.275 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.544 -2.643 -3.103 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.453 -4.826 -4.078 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.708 -4.904 -3.935 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.725 -1.825 -6.781 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.156 -1.391 -5.152 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.499 -2.542 -5.348 1.00 0.00 H new ATOM 1168 N ASP A 73 6.488 -4.849 -1.255 1.00 0.00 N ATOM 1169 CA ASP A 73 7.346 -6.013 -1.087 1.00 0.00 C ATOM 1170 C ASP A 73 7.293 -6.547 0.345 1.00 0.00 C ATOM 1171 O ASP A 73 7.993 -7.506 0.673 1.00 0.00 O ATOM 1172 CB ASP A 73 8.780 -5.654 -1.478 1.00 0.00 C ATOM 1173 CG ASP A 73 9.699 -6.877 -1.510 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.359 -7.836 -2.239 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.730 -6.848 -0.802 1.00 0.00 O ATOM 0 H ASP A 73 6.979 -3.956 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 73 6.983 -6.806 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.778 -5.178 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.175 -4.925 -0.771 1.00 0.00 H new ATOM 1180 N ALA A 74 6.469 -5.942 1.213 1.00 0.00 N ATOM 1181 CA ALA A 74 6.404 -6.315 2.616 1.00 0.00 C ATOM 1182 C ALA A 74 4.984 -6.623 3.086 1.00 0.00 C ATOM 1183 O ALA A 74 4.807 -7.081 4.216 1.00 0.00 O ATOM 1184 CB ALA A 74 6.982 -5.168 3.432 1.00 0.00 C ATOM 0 H ALA A 74 5.836 -5.185 0.955 1.00 0.00 H new ATOM 0 HA ALA A 74 6.977 -7.232 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.946 -5.421 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.017 -4.995 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.398 -4.265 3.254 1.00 0.00 H new ATOM 1190 N MET A 75 3.968 -6.383 2.248 1.00 0.00 N ATOM 1191 CA MET A 75 2.601 -6.715 2.627 1.00 0.00 C ATOM 1192 C MET A 75 1.775 -7.362 1.516 1.00 0.00 C ATOM 1193 O MET A 75 0.843 -8.108 1.818 1.00 0.00 O ATOM 1194 CB MET A 75 1.884 -5.455 3.095 1.00 0.00 C ATOM 1195 CG MET A 75 0.966 -5.817 4.257 1.00 0.00 C ATOM 1196 SD MET A 75 -0.208 -4.515 4.718 1.00 0.00 S ATOM 1197 CE MET A 75 0.964 -3.170 5.033 1.00 0.00 C ATOM 0 H MET A 75 4.069 -5.968 1.322 1.00 0.00 H new ATOM 0 HA MET A 75 2.686 -7.455 3.423 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.608 -4.702 3.406 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.306 -5.023 2.278 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.408 -6.717 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.578 -6.061 5.125 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.419 -2.275 5.332 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.647 -3.462 5.830 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.532 -2.963 4.126 1.00 0.00 H new ATOM 1207 N ASP A 76 2.079 -7.113 0.239 1.00 0.00 N ATOM 1208 CA ASP A 76 1.321 -7.763 -0.818 1.00 0.00 C ATOM 1209 C ASP A 76 1.509 -9.276 -0.735 1.00 0.00 C ATOM 1210 O ASP A 76 2.627 -9.763 -0.568 1.00 0.00 O ATOM 1211 CB ASP A 76 1.795 -7.241 -2.173 1.00 0.00 C ATOM 1212 CG ASP A 76 1.160 -8.010 -3.328 1.00 0.00 C ATOM 1213 OD1 ASP A 76 0.037 -7.636 -3.724 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.804 -8.968 -3.808 1.00 0.00 O ATOM 0 H ASP A 76 2.820 -6.487 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 76 0.261 -7.539 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.549 -6.183 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.880 -7.322 -2.235 1.00 0.00 H new ATOM 1219 N GLY A 77 0.410 -10.023 -0.853 1.00 0.00 N ATOM 1220 CA GLY A 77 0.468 -11.478 -0.885 1.00 0.00 C ATOM 1221 C GLY A 77 0.908 -12.065 0.455 1.00 0.00 C ATOM 1222 O GLY A 77 1.716 -12.989 0.486 1.00 0.00 O ATOM 0 H GLY A 77 -0.532 -9.639 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.513 -11.874 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.161 -11.796 -1.664 1.00 0.00 H new ATOM 1226 N ALA A 78 0.383 -11.536 1.566 1.00 0.00 N ATOM 1227 CA ALA A 78 0.764 -11.953 2.909 1.00 0.00 C ATOM 1228 C ALA A 78 -0.440 -12.536 3.643 1.00 0.00 C ATOM 1229 O ALA A 78 -0.494 -12.591 4.872 1.00 0.00 O ATOM 1230 CB ALA A 78 1.305 -10.727 3.641 1.00 0.00 C ATOM 0 H ALA A 78 -0.324 -10.801 1.552 1.00 0.00 H new ATOM 0 HA ALA A 78 1.528 -12.729 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.600 -11.008 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.171 -10.336 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.531 -9.961 3.688 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.403 -12.969 2.837 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.759 -13.281 3.242 1.00 0.00 C ATOM 1238 C VAL A 79 -2.932 -14.425 4.223 1.00 0.00 C ATOM 1239 O VAL A 79 -2.046 -15.255 4.410 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.598 -13.521 1.978 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -5.083 -13.519 2.273 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.354 -12.512 0.851 1.00 0.00 C ATOM 0 H VAL A 79 -1.248 -13.117 1.840 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.102 -12.416 3.809 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.267 -14.502 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.637 -13.692 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.313 -14.309 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.369 -12.555 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.988 -12.758 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.593 -11.508 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.308 -12.551 0.548 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.121 -14.430 4.844 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.460 -15.413 5.857 1.00 0.00 C ATOM 1254 C LEU A 80 -5.975 -15.595 6.032 1.00 0.00 C ATOM 1255 O LEU A 80 -6.409 -16.205 7.009 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.767 -15.058 7.183 1.00 0.00 C ATOM 1257 CG LEU A 80 -3.795 -13.569 7.542 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.208 -12.995 7.531 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.199 -13.385 8.936 1.00 0.00 C ATOM 0 H LEU A 80 -4.861 -13.755 4.653 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.090 -16.380 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.242 -15.621 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.729 -15.386 7.134 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.214 -13.036 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.173 -11.937 7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.639 -13.109 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.823 -13.528 8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.214 -12.328 9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.786 -13.950 9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.171 -13.746 8.943 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.785 -15.077 5.100 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.237 -15.221 5.134 1.00 0.00 C ATOM 1273 C ASP A 81 -8.783 -15.582 3.746 1.00 0.00 C ATOM 1274 O ASP A 81 -9.992 -15.583 3.537 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.893 -13.925 5.627 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.658 -13.671 7.114 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -8.875 -14.613 7.906 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -8.262 -12.530 7.446 1.00 0.00 O ATOM 0 H ASP A 81 -6.445 -14.544 4.299 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.478 -16.029 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.502 -13.084 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.965 -13.970 5.436 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.889 -15.884 2.797 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.268 -16.190 1.423 1.00 0.00 C ATOM 1285 C GLY A 82 -8.037 -14.979 0.522 1.00 0.00 C ATOM 1286 O GLY A 82 -8.060 -15.102 -0.704 1.00 0.00 O ATOM 0 H GLY A 82 -6.884 -15.922 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.687 -17.037 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.317 -16.484 1.386 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.816 -13.815 1.144 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.505 -12.536 0.508 1.00 0.00 C ATOM 1292 C ARG A 83 -7.276 -11.533 1.640 1.00 0.00 C ATOM 1293 O ARG A 83 -8.063 -11.478 2.580 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.637 -12.085 -0.424 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.867 -11.629 0.359 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.937 -10.110 0.520 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.116 -9.459 -0.780 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.287 -9.049 -1.283 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -12.416 -9.187 -0.595 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -11.318 -8.493 -2.489 1.00 0.00 N ATOM 0 H ARG A 83 -7.852 -13.739 2.161 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.618 -12.619 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.285 -11.269 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.911 -12.906 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.766 -11.978 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.858 -12.094 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.763 -9.847 1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.024 -9.747 0.991 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.282 -9.306 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.399 -9.611 0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.299 -8.869 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.455 -8.382 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.204 -8.177 -2.882 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.211 -10.738 1.568 1.00 0.00 N ATOM 1315 CA GLU A 84 -6.101 -9.618 2.486 1.00 0.00 C ATOM 1316 C GLU A 84 -5.411 -8.416 1.853 1.00 0.00 C ATOM 1317 O GLU A 84 -5.723 -7.273 2.183 1.00 0.00 O ATOM 1318 CB GLU A 84 -5.433 -9.999 3.797 1.00 0.00 C ATOM 1319 CG GLU A 84 -3.944 -10.206 3.623 1.00 0.00 C ATOM 1320 CD GLU A 84 -3.233 -10.348 4.971 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -3.930 -10.627 5.973 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -1.999 -10.172 4.992 1.00 0.00 O ATOM 0 H GLU A 84 -5.441 -10.844 0.908 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.125 -9.326 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.608 -9.217 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.885 -10.912 4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.768 -11.098 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.521 -9.364 3.075 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.467 -8.680 0.945 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.654 -7.636 0.343 1.00 0.00 C ATOM 1331 C LEU A 85 -3.391 -7.886 -1.137 1.00 0.00 C ATOM 1332 O LEU A 85 -3.151 -9.019 -1.553 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.271 -7.590 1.023 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.108 -6.642 2.219 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.714 -5.279 1.908 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.679 -7.199 3.519 1.00 0.00 C ATOM 0 H LEU A 85 -4.251 -9.620 0.613 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.210 -6.707 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.024 -8.598 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.533 -7.313 0.270 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.035 -6.534 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.589 -4.621 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.211 -4.846 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.776 -5.394 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.529 -6.477 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.745 -7.389 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.171 -8.130 3.770 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.443 -6.796 -1.904 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.988 -6.709 -3.286 1.00 0.00 C ATOM 1350 C ARG A 86 -2.519 -5.277 -3.511 1.00 0.00 C ATOM 1351 O ARG A 86 -3.312 -4.340 -3.422 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.084 -7.094 -4.279 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.321 -8.608 -4.348 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.038 -9.352 -4.721 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.281 -10.789 -4.848 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.310 -11.694 -4.980 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.030 -11.322 -4.993 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.615 -12.984 -5.096 1.00 0.00 N ATOM 0 H ARG A 86 -3.821 -5.913 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.176 -7.416 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.013 -6.598 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.815 -6.728 -5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.685 -8.966 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.097 -8.824 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.648 -8.962 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.277 -9.174 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.247 -11.117 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.784 -10.336 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.296 -12.023 -5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.591 -13.280 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.873 -13.676 -5.197 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.228 -5.112 -3.801 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.590 -3.811 -3.939 1.00 0.00 C ATOM 1374 C VAL A 87 0.291 -3.786 -5.183 1.00 0.00 C ATOM 1375 O VAL A 87 0.932 -4.781 -5.510 1.00 0.00 O ATOM 1376 CB VAL A 87 0.289 -3.542 -2.713 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.880 -2.134 -2.725 1.00 0.00 C ATOM 1378 CG2 VAL A 87 -0.483 -3.769 -1.417 1.00 0.00 C ATOM 0 H VAL A 87 -0.590 -5.894 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.364 -3.049 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 87 1.113 -4.253 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.495 -1.990 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.494 -2.005 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.073 -1.401 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.168 -3.570 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.341 -3.098 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.829 -4.802 -1.376 1.00 0.00 H new ATOM 1388 N GLN A 88 0.318 -2.639 -5.868 1.00 0.00 N ATOM 1389 CA GLN A 88 1.140 -2.430 -7.050 1.00 0.00 C ATOM 1390 C GLN A 88 1.122 -0.963 -7.450 1.00 0.00 C ATOM 1391 O GLN A 88 0.496 -0.130 -6.798 1.00 0.00 O ATOM 1392 CB GLN A 88 0.625 -3.289 -8.216 1.00 0.00 C ATOM 1393 CG GLN A 88 -0.800 -2.901 -8.612 1.00 0.00 C ATOM 1394 CD GLN A 88 -1.199 -3.586 -9.912 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.609 -4.743 -9.918 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -1.081 -2.874 -11.030 1.00 0.00 N ATOM 0 H GLN A 88 -0.239 -1.824 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 88 2.163 -2.724 -6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.287 -3.173 -9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.651 -4.341 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.493 -3.182 -7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.870 -1.819 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.737 -1.915 -10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.335 -3.288 -11.927 1.00 0.00 H new ATOM 1405 N MET A 89 1.818 -0.648 -8.534 1.00 0.00 N ATOM 1406 CA MET A 89 1.851 0.686 -9.104 1.00 0.00 C ATOM 1407 C MET A 89 0.539 0.957 -9.843 1.00 0.00 C ATOM 1408 O MET A 89 0.014 0.076 -10.525 1.00 0.00 O ATOM 1409 CB MET A 89 3.049 0.737 -10.043 1.00 0.00 C ATOM 1410 CG MET A 89 4.306 0.463 -9.215 1.00 0.00 C ATOM 1411 SD MET A 89 4.924 1.927 -8.352 1.00 0.00 S ATOM 1412 CE MET A 89 6.108 1.120 -7.248 1.00 0.00 C ATOM 0 H MET A 89 2.383 -1.324 -9.047 1.00 0.00 H new ATOM 0 HA MET A 89 1.953 1.454 -8.338 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.945 -0.004 -10.835 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.115 1.712 -10.525 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.089 -0.317 -8.485 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.088 0.078 -9.870 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.660 1.877 -6.691 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.574 0.474 -6.551 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.805 0.522 -7.836 1.00 0.00 H new ATOM 1422 N ALA A 90 0.012 2.178 -9.708 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.235 2.586 -10.336 1.00 0.00 C ATOM 1424 C ALA A 90 -1.057 2.786 -11.843 1.00 0.00 C ATOM 1425 O ALA A 90 0.070 2.893 -12.329 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.711 3.886 -9.689 1.00 0.00 C ATOM 0 H ALA A 90 0.449 2.914 -9.153 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.977 1.801 -10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.646 4.202 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.871 3.725 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.957 4.660 -9.830 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.174 2.847 -12.578 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.167 3.183 -14.001 1.00 0.00 C ATOM 1434 C ARG A 91 -3.378 4.033 -14.367 1.00 0.00 C ATOM 1435 O ARG A 91 -3.642 4.274 -15.546 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.076 1.911 -14.855 1.00 0.00 C ATOM 1437 CG ARG A 91 -3.418 1.200 -15.028 1.00 0.00 C ATOM 1438 CD ARG A 91 -3.198 -0.127 -15.759 1.00 0.00 C ATOM 1439 NE ARG A 91 -4.477 -0.782 -16.067 1.00 0.00 N ATOM 1440 CZ ARG A 91 -4.578 -1.961 -16.683 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -3.492 -2.642 -17.036 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -5.777 -2.465 -16.954 1.00 0.00 N ATOM 0 H ARG A 91 -3.104 2.665 -12.201 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.281 3.782 -14.212 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.680 2.169 -15.837 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.365 1.224 -14.396 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.875 1.021 -14.055 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.106 1.830 -15.593 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.646 0.050 -16.682 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.587 -0.787 -15.144 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.338 -0.308 -15.794 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.566 -2.264 -16.836 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.585 -3.542 -17.506 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.618 -1.951 -16.691 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.857 -3.366 -17.425 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.118 4.487 -13.348 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.325 5.285 -13.509 1.00 0.00 C ATOM 1458 C TYR A 92 -5.192 6.565 -12.688 1.00 0.00 C ATOM 1459 O TYR A 92 -4.295 6.665 -11.852 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.538 4.478 -13.046 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.811 3.179 -13.777 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.596 3.067 -15.163 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -7.302 2.077 -13.061 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.859 1.857 -15.822 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -7.563 0.864 -13.712 1.00 0.00 C ATOM 1466 CZ TYR A 92 -7.339 0.748 -15.095 1.00 0.00 C ATOM 1467 OH TYR A 92 -7.587 -0.434 -15.725 1.00 0.00 O ATOM 0 H TYR A 92 -3.884 4.303 -12.372 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.460 5.547 -14.558 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.412 4.252 -11.987 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.421 5.110 -13.135 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.227 3.915 -15.721 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.480 2.164 -11.999 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.694 1.775 -16.886 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.936 0.019 -13.152 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.911 -1.090 -15.073 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.078 7.544 -12.914 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.964 8.854 -12.284 1.00 0.00 C ATOM 1479 C GLY A 93 -7.144 9.193 -11.386 1.00 0.00 C ATOM 1480 O GLY A 93 -8.128 8.457 -11.328 1.00 0.00 O ATOM 0 H GLY A 93 -6.883 7.447 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.047 8.888 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.875 9.616 -13.059 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.029 10.325 -10.679 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.028 10.800 -9.725 1.00 0.00 C ATOM 1486 C ARG A 94 -9.345 11.160 -10.424 1.00 0.00 C ATOM 1487 O ARG A 94 -9.345 11.392 -11.632 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.453 11.997 -8.963 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.322 13.228 -9.865 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.723 14.401 -9.088 1.00 0.00 C ATOM 1491 NE ARG A 94 -7.557 14.781 -7.939 1.00 0.00 N ATOM 1492 CZ ARG A 94 -8.607 15.607 -7.995 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -9.003 16.142 -9.149 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -9.270 15.904 -6.885 1.00 0.00 N ATOM 0 H ARG A 94 -6.223 10.944 -10.759 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.260 10.002 -9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.096 12.233 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.475 11.736 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.691 12.992 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.301 13.505 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.725 14.134 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.610 15.257 -9.753 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.317 14.385 -7.030 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.503 15.924 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.807 16.770 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.978 15.503 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.072 16.534 -6.923 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.459 11.211 -9.672 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.787 11.559 -10.149 1.00 0.00 C ATOM 1510 C PRO A 95 -11.839 12.670 -11.203 1.00 0.00 C ATOM 1511 O PRO A 95 -11.671 13.843 -10.864 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.545 11.955 -8.883 1.00 0.00 C ATOM 1513 CG PRO A 95 -11.988 10.981 -7.856 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.513 10.910 -8.249 1.00 0.00 C ATOM 0 HA PRO A 95 -12.223 10.713 -10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.358 12.992 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.623 11.847 -9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.121 11.343 -6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.473 10.006 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.922 11.625 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.102 9.921 -8.044 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.071 12.326 -12.477 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.355 13.298 -13.523 1.00 0.00 C ATOM 1524 C PRO A 96 -13.845 13.659 -13.500 1.00 0.00 C ATOM 1525 O PRO A 96 -14.238 14.749 -13.913 1.00 0.00 O ATOM 1526 CB PRO A 96 -12.033 12.560 -14.822 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.416 11.115 -14.502 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.084 10.976 -13.013 1.00 0.00 C ATOM 0 HA PRO A 96 -11.785 14.220 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.606 12.953 -15.662 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.979 12.649 -15.086 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.472 10.928 -14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.850 10.407 -15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.826 10.361 -12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.118 10.491 -12.872 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.660 12.722 -13.015 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.103 12.839 -12.875 1.00 0.00 C ATOM 1538 C ASP A 97 -16.536 11.780 -11.856 1.00 0.00 C ATOM 1539 O ASP A 97 -15.731 10.917 -11.509 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.766 12.581 -14.228 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.281 12.732 -14.141 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -18.754 13.891 -14.189 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -18.951 11.682 -14.027 1.00 0.00 O ATOM 0 H ASP A 97 -14.310 11.819 -12.695 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.395 13.834 -12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.371 13.277 -14.968 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.518 11.577 -14.571 1.00 0.00 H new ATOM 1548 N SER A 98 -17.779 11.815 -11.368 1.00 0.00 N ATOM 1549 CA SER A 98 -18.164 10.877 -10.325 1.00 0.00 C ATOM 1550 C SER A 98 -18.558 9.498 -10.853 1.00 0.00 C ATOM 1551 O SER A 98 -18.138 8.496 -10.280 1.00 0.00 O ATOM 1552 CB SER A 98 -19.303 11.445 -9.476 1.00 0.00 C ATOM 1553 OG SER A 98 -20.421 11.746 -10.289 1.00 0.00 O ATOM 0 H SER A 98 -18.509 12.461 -11.669 1.00 0.00 H new ATOM 0 HA SER A 98 -17.273 10.740 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.587 10.725 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.967 12.345 -8.961 1.00 0.00 H new ATOM 0 HG SER A 98 -21.142 12.107 -9.733 1.00 0.00 H new