USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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 29 LYS NZ :NH3+ -155:sc= 1.15 (180deg=0.169) USER MOD Set 1.2: A 64 TYR OH : rot 7:sc= 1.42 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.0786) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0178 (180deg=-0.131) USER MOD Single : A 2 THR OG1 : rot -143:sc= 0.387 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 47:sc= 0.249 USER MOD Single : A 37 GLN : amide:sc= -0.0803 K(o=-0.08,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= -0.12 K(o=-0.12,f=-6.5!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.83! C(o=-1.8!,f=-7.9!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= -2.1 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 135:sc= 0.531 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.424 7.778 9.594 1.00 72.22 N ATOM 2 CA MET A 1 -5.988 7.014 8.387 1.00 31.23 C ATOM 3 C MET A 1 -4.873 6.006 8.755 1.00 1.32 C ATOM 4 O MET A 1 -4.071 6.259 9.653 1.00 75.23 O ATOM 5 CB MET A 1 -5.546 7.993 7.262 1.00 13.41 C ATOM 6 CG MET A 1 -4.359 8.917 7.613 1.00 1.21 C ATOM 7 SD MET A 1 -4.664 10.659 7.213 1.00 75.33 S ATOM 8 CE MET A 1 -5.009 10.605 5.451 1.00 63.45 C ATOM 0 H1 MET A 1 -6.454 8.793 9.370 1.00 72.22 H new ATOM 0 H2 MET A 1 -7.371 7.459 9.883 1.00 72.22 H new ATOM 0 H3 MET A 1 -5.751 7.614 10.370 1.00 72.22 H new ATOM 0 HA MET A 1 -6.830 6.436 8.006 1.00 31.23 H new ATOM 0 HB2 MET A 1 -5.281 7.410 6.380 1.00 13.41 H new ATOM 0 HB3 MET A 1 -6.399 8.614 6.989 1.00 13.41 H new ATOM 0 HG2 MET A 1 -4.141 8.829 8.677 1.00 1.21 H new ATOM 0 HG3 MET A 1 -3.473 8.578 7.077 1.00 1.21 H new ATOM 0 HE1 MET A 1 -5.001 11.618 5.047 1.00 63.45 H new ATOM 0 HE2 MET A 1 -4.247 10.008 4.949 1.00 63.45 H new ATOM 0 HE3 MET A 1 -5.989 10.157 5.286 1.00 63.45 H new ATOM 18 N THR A 2 -4.850 4.858 8.058 1.00 24.12 N ATOM 19 CA THR A 2 -3.971 3.708 8.391 1.00 51.42 C ATOM 20 C THR A 2 -2.497 3.976 7.967 1.00 33.04 C ATOM 21 O THR A 2 -2.106 3.704 6.842 1.00 55.41 O ATOM 22 CB THR A 2 -4.559 2.405 7.723 1.00 54.04 C ATOM 23 OG1 THR A 2 -5.929 2.232 8.139 1.00 44.51 O ATOM 24 CG2 THR A 2 -3.777 1.123 8.066 1.00 75.53 C ATOM 0 H THR A 2 -5.441 4.694 7.243 1.00 24.12 H new ATOM 0 HA THR A 2 -3.950 3.566 9.472 1.00 51.42 H new ATOM 0 HB THR A 2 -4.479 2.551 6.646 1.00 54.04 H new ATOM 0 HG1 THR A 2 -6.116 1.278 8.262 1.00 44.51 H new ATOM 0 HG21 THR A 2 -4.241 0.270 7.571 1.00 75.53 H new ATOM 0 HG22 THR A 2 -2.746 1.224 7.726 1.00 75.53 H new ATOM 0 HG23 THR A 2 -3.789 0.967 9.145 1.00 75.53 H new ATOM 32 N ARG A 3 -1.693 4.550 8.890 1.00 25.42 N ATOM 33 CA ARG A 3 -0.308 5.021 8.598 1.00 42.43 C ATOM 34 C ARG A 3 0.748 3.911 8.849 1.00 53.14 C ATOM 35 O ARG A 3 0.700 3.229 9.874 1.00 71.34 O ATOM 36 CB ARG A 3 0.024 6.263 9.473 1.00 64.04 C ATOM 37 CG ARG A 3 -1.025 7.398 9.410 1.00 43.42 C ATOM 38 CD ARG A 3 -0.605 8.659 10.192 1.00 30.44 C ATOM 39 NE ARG A 3 -0.359 8.390 11.625 1.00 23.14 N ATOM 40 CZ ARG A 3 0.497 9.044 12.389 1.00 62.11 C ATOM 41 NH1 ARG A 3 1.317 9.919 11.893 1.00 32.50 N ATOM 42 NH2 ARG A 3 0.546 8.784 13.651 1.00 65.33 N ATOM 0 H ARG A 3 -1.979 4.702 9.857 1.00 25.42 H new ATOM 0 HA ARG A 3 -0.268 5.287 7.542 1.00 42.43 H new ATOM 0 HB2 ARG A 3 0.130 5.942 10.509 1.00 64.04 H new ATOM 0 HB3 ARG A 3 0.990 6.662 9.162 1.00 64.04 H new ATOM 0 HG2 ARG A 3 -1.198 7.666 8.368 1.00 43.42 H new ATOM 0 HG3 ARG A 3 -1.972 7.031 9.807 1.00 43.42 H new ATOM 0 HD2 ARG A 3 0.298 9.074 9.745 1.00 30.44 H new ATOM 0 HD3 ARG A 3 -1.384 9.416 10.098 1.00 30.44 H new ATOM 0 HE ARG A 3 -0.894 7.638 12.059 1.00 23.14 H new ATOM 0 HH11 ARG A 3 1.310 10.115 10.892 1.00 32.50 H new ATOM 0 HH12 ARG A 3 1.969 10.411 12.504 1.00 32.50 H new ATOM 0 HH21 ARG A 3 -0.073 8.079 14.051 1.00 65.33 H new ATOM 0 HH22 ARG A 3 1.204 9.284 14.249 1.00 65.33 H new ATOM 56 N VAL A 4 1.708 3.746 7.913 1.00 72.44 N ATOM 57 CA VAL A 4 2.802 2.739 8.025 1.00 1.02 C ATOM 58 C VAL A 4 4.193 3.411 7.870 1.00 3.31 C ATOM 59 O VAL A 4 4.460 4.080 6.872 1.00 1.52 O ATOM 60 CB VAL A 4 2.653 1.591 6.942 1.00 73.00 C ATOM 61 CG1 VAL A 4 3.845 0.590 6.979 1.00 71.23 C ATOM 62 CG2 VAL A 4 1.307 0.836 7.106 1.00 41.33 C ATOM 0 H VAL A 4 1.752 4.302 7.059 1.00 72.44 H new ATOM 0 HA VAL A 4 2.723 2.295 9.017 1.00 1.02 H new ATOM 0 HB VAL A 4 2.662 2.077 5.967 1.00 73.00 H new ATOM 0 HG11 VAL A 4 3.699 -0.178 6.220 1.00 71.23 H new ATOM 0 HG12 VAL A 4 4.775 1.124 6.781 1.00 71.23 H new ATOM 0 HG13 VAL A 4 3.897 0.123 7.962 1.00 71.23 H new ATOM 0 HG21 VAL A 4 1.233 0.055 6.349 1.00 41.33 H new ATOM 0 HG22 VAL A 4 1.261 0.386 8.098 1.00 41.33 H new ATOM 0 HG23 VAL A 4 0.480 1.536 6.986 1.00 41.33 H new ATOM 72 N ARG A 5 5.070 3.224 8.871 1.00 41.12 N ATOM 73 CA ARG A 5 6.495 3.615 8.783 1.00 53.31 C ATOM 74 C ARG A 5 7.325 2.430 8.223 1.00 2.22 C ATOM 75 O ARG A 5 7.063 1.267 8.557 1.00 51.25 O ATOM 76 CB ARG A 5 7.014 4.043 10.182 1.00 21.24 C ATOM 77 CG ARG A 5 8.520 4.391 10.235 1.00 75.24 C ATOM 78 CD ARG A 5 8.973 4.884 11.620 1.00 33.23 C ATOM 79 NE ARG A 5 8.336 6.161 11.988 1.00 33.05 N ATOM 80 CZ ARG A 5 8.262 6.657 13.202 1.00 64.50 C ATOM 81 NH1 ARG A 5 8.768 6.037 14.225 1.00 51.52 N ATOM 82 NH2 ARG A 5 7.689 7.793 13.384 1.00 64.43 N ATOM 0 H ARG A 5 4.816 2.799 9.763 1.00 41.12 H new ATOM 0 HA ARG A 5 6.600 4.463 8.107 1.00 53.31 H new ATOM 0 HB2 ARG A 5 6.443 4.909 10.517 1.00 21.24 H new ATOM 0 HB3 ARG A 5 6.816 3.238 10.890 1.00 21.24 H new ATOM 0 HG2 ARG A 5 9.101 3.510 9.961 1.00 75.24 H new ATOM 0 HG3 ARG A 5 8.736 5.159 9.493 1.00 75.24 H new ATOM 0 HD2 ARG A 5 8.733 4.130 12.369 1.00 33.23 H new ATOM 0 HD3 ARG A 5 10.056 5.005 11.625 1.00 33.23 H new ATOM 0 HE ARG A 5 7.916 6.707 11.235 1.00 33.05 H new ATOM 0 HH11 ARG A 5 9.238 5.141 14.097 1.00 51.52 H new ATOM 0 HH12 ARG A 5 8.695 6.446 15.156 1.00 51.52 H new ATOM 0 HH21 ARG A 5 7.297 8.300 12.590 1.00 64.43 H new ATOM 0 HH22 ARG A 5 7.626 8.188 14.322 1.00 64.43 H new ATOM 96 N SER A 6 8.327 2.732 7.379 1.00 11.45 N ATOM 97 CA SER A 6 9.117 1.703 6.662 1.00 43.12 C ATOM 98 C SER A 6 10.587 2.128 6.477 1.00 34.01 C ATOM 99 O SER A 6 10.904 3.320 6.345 1.00 34.24 O ATOM 100 CB SER A 6 8.488 1.412 5.284 1.00 74.22 C ATOM 101 OG SER A 6 9.210 0.419 4.562 1.00 3.24 O ATOM 0 H SER A 6 8.615 3.689 7.172 1.00 11.45 H new ATOM 0 HA SER A 6 9.102 0.801 7.274 1.00 43.12 H new ATOM 0 HB2 SER A 6 7.458 1.083 5.419 1.00 74.22 H new ATOM 0 HB3 SER A 6 8.455 2.332 4.700 1.00 74.22 H new ATOM 0 HG SER A 6 8.777 0.264 3.697 1.00 3.24 H new ATOM 107 N THR A 7 11.470 1.123 6.470 1.00 74.32 N ATOM 108 CA THR A 7 12.913 1.296 6.219 1.00 25.55 C ATOM 109 C THR A 7 13.241 1.374 4.711 1.00 63.04 C ATOM 110 O THR A 7 12.573 0.730 3.887 1.00 70.43 O ATOM 111 CB THR A 7 13.733 0.138 6.877 1.00 33.33 C ATOM 112 OG1 THR A 7 13.189 -1.146 6.513 1.00 4.21 O ATOM 113 CG2 THR A 7 13.749 0.294 8.397 1.00 50.43 C ATOM 0 H THR A 7 11.204 0.153 6.640 1.00 74.32 H new ATOM 0 HA THR A 7 13.198 2.246 6.672 1.00 25.55 H new ATOM 0 HB THR A 7 14.757 0.194 6.508 1.00 33.33 H new ATOM 0 HG1 THR A 7 13.717 -1.856 6.934 1.00 4.21 H new ATOM 0 HG21 THR A 7 14.323 -0.519 8.840 1.00 50.43 H new ATOM 0 HG22 THR A 7 14.207 1.247 8.660 1.00 50.43 H new ATOM 0 HG23 THR A 7 12.728 0.266 8.776 1.00 50.43 H new ATOM 121 N PRO A 8 14.295 2.162 4.335 1.00 34.42 N ATOM 122 CA PRO A 8 14.682 2.383 2.928 1.00 44.33 C ATOM 123 C PRO A 8 15.595 1.254 2.372 1.00 14.22 C ATOM 124 O PRO A 8 16.370 0.640 3.115 1.00 1.33 O ATOM 125 CB PRO A 8 15.409 3.736 3.043 1.00 71.42 C ATOM 126 CG PRO A 8 16.151 3.640 4.328 1.00 54.25 C ATOM 127 CD PRO A 8 15.212 2.899 5.259 1.00 11.42 C ATOM 0 HA PRO A 8 13.848 2.380 2.226 1.00 44.33 H new ATOM 0 HB2 PRO A 8 16.085 3.898 2.203 1.00 71.42 H new ATOM 0 HB3 PRO A 8 14.705 4.568 3.050 1.00 71.42 H new ATOM 0 HG2 PRO A 8 17.091 3.103 4.203 1.00 54.25 H new ATOM 0 HG3 PRO A 8 16.398 4.628 4.718 1.00 54.25 H new ATOM 0 HD2 PRO A 8 15.754 2.216 5.912 1.00 11.42 H new ATOM 0 HD3 PRO A 8 14.663 3.586 5.902 1.00 11.42 H new ATOM 135 N GLY A 9 15.465 0.964 1.066 1.00 23.21 N ATOM 136 CA GLY A 9 16.258 -0.091 0.408 1.00 34.51 C ATOM 137 C GLY A 9 15.608 -1.483 0.456 1.00 30.23 C ATOM 138 O GLY A 9 15.927 -2.343 -0.371 1.00 54.22 O ATOM 0 H GLY A 9 14.817 1.446 0.443 1.00 23.21 H new ATOM 0 HA2 GLY A 9 16.421 0.187 -0.633 1.00 34.51 H new ATOM 0 HA3 GLY A 9 17.239 -0.143 0.881 1.00 34.51 H new ATOM 142 N GLY A 10 14.697 -1.700 1.429 1.00 42.15 N ATOM 143 CA GLY A 10 14.019 -3.000 1.621 1.00 71.20 C ATOM 144 C GLY A 10 12.726 -3.135 0.811 1.00 42.32 C ATOM 145 O GLY A 10 12.604 -2.554 -0.273 1.00 13.32 O ATOM 0 H GLY A 10 14.413 -0.985 2.099 1.00 42.15 H new ATOM 0 HA2 GLY A 10 14.701 -3.802 1.340 1.00 71.20 H new ATOM 0 HA3 GLY A 10 13.792 -3.131 2.679 1.00 71.20 H new ATOM 149 N ASP A 11 11.765 -3.934 1.312 1.00 63.24 N ATOM 150 CA ASP A 11 10.415 -4.024 0.711 1.00 24.33 C ATOM 151 C ASP A 11 9.350 -3.438 1.670 1.00 4.24 C ATOM 152 O ASP A 11 9.287 -3.798 2.852 1.00 65.45 O ATOM 153 CB ASP A 11 10.067 -5.486 0.282 1.00 74.52 C ATOM 154 CG ASP A 11 9.893 -6.480 1.442 1.00 2.43 C ATOM 155 OD1 ASP A 11 10.895 -6.798 2.114 1.00 63.51 O ATOM 156 OD2 ASP A 11 8.760 -6.964 1.670 1.00 4.14 O ATOM 0 H ASP A 11 11.896 -4.527 2.131 1.00 63.24 H new ATOM 0 HA ASP A 11 10.413 -3.423 -0.198 1.00 24.33 H new ATOM 0 HB2 ASP A 11 9.147 -5.468 -0.302 1.00 74.52 H new ATOM 0 HB3 ASP A 11 10.855 -5.853 -0.376 1.00 74.52 H new ATOM 161 N LEU A 12 8.545 -2.498 1.155 1.00 13.43 N ATOM 162 CA LEU A 12 7.395 -1.935 1.879 1.00 11.14 C ATOM 163 C LEU A 12 6.247 -2.953 1.870 1.00 13.13 C ATOM 164 O LEU A 12 5.882 -3.429 0.814 1.00 12.33 O ATOM 165 CB LEU A 12 6.938 -0.617 1.201 1.00 31.54 C ATOM 166 CG LEU A 12 5.598 -0.003 1.713 1.00 45.13 C ATOM 167 CD1 LEU A 12 5.688 0.382 3.206 1.00 24.03 C ATOM 168 CD2 LEU A 12 5.167 1.194 0.841 1.00 55.02 C ATOM 0 H LEU A 12 8.673 -2.105 0.222 1.00 13.43 H new ATOM 0 HA LEU A 12 7.682 -1.719 2.908 1.00 11.14 H new ATOM 0 HB2 LEU A 12 7.726 0.125 1.331 1.00 31.54 H new ATOM 0 HB3 LEU A 12 6.844 -0.798 0.130 1.00 31.54 H new ATOM 0 HG LEU A 12 4.826 -0.768 1.624 1.00 45.13 H new ATOM 0 HD11 LEU A 12 4.738 0.807 3.530 1.00 24.03 H new ATOM 0 HD12 LEU A 12 5.910 -0.506 3.798 1.00 24.03 H new ATOM 0 HD13 LEU A 12 6.480 1.118 3.345 1.00 24.03 H new ATOM 0 HD21 LEU A 12 4.230 1.602 1.221 1.00 55.02 H new ATOM 0 HD22 LEU A 12 5.938 1.964 0.873 1.00 55.02 H new ATOM 0 HD23 LEU A 12 5.028 0.863 -0.188 1.00 55.02 H new ATOM 180 N GLU A 13 5.675 -3.265 3.037 1.00 21.33 N ATOM 181 CA GLU A 13 4.588 -4.260 3.148 1.00 65.23 C ATOM 182 C GLU A 13 3.408 -3.662 3.934 1.00 43.13 C ATOM 183 O GLU A 13 3.487 -3.485 5.155 1.00 2.12 O ATOM 184 CB GLU A 13 5.111 -5.554 3.830 1.00 4.00 C ATOM 185 CG GLU A 13 4.086 -6.706 3.905 1.00 63.21 C ATOM 186 CD GLU A 13 4.601 -7.904 4.717 1.00 63.32 C ATOM 187 OE1 GLU A 13 4.468 -7.892 5.958 1.00 4.11 O ATOM 188 OE2 GLU A 13 5.178 -8.837 4.124 1.00 20.12 O ATOM 0 H GLU A 13 5.944 -2.844 3.926 1.00 21.33 H new ATOM 0 HA GLU A 13 4.239 -4.521 2.149 1.00 65.23 H new ATOM 0 HB2 GLU A 13 5.990 -5.903 3.289 1.00 4.00 H new ATOM 0 HB3 GLU A 13 5.436 -5.309 4.841 1.00 4.00 H new ATOM 0 HG2 GLU A 13 3.163 -6.338 4.354 1.00 63.21 H new ATOM 0 HG3 GLU A 13 3.840 -7.035 2.895 1.00 63.21 H new ATOM 195 N LEU A 14 2.333 -3.312 3.214 1.00 22.45 N ATOM 196 CA LEU A 14 1.090 -2.814 3.824 1.00 11.14 C ATOM 197 C LEU A 14 0.143 -4.000 4.083 1.00 32.31 C ATOM 198 O LEU A 14 -0.493 -4.497 3.153 1.00 71.21 O ATOM 199 CB LEU A 14 0.413 -1.779 2.877 1.00 35.13 C ATOM 200 CG LEU A 14 1.317 -0.606 2.379 1.00 53.14 C ATOM 201 CD1 LEU A 14 0.520 0.376 1.501 1.00 35.41 C ATOM 202 CD2 LEU A 14 1.996 0.130 3.549 1.00 35.33 C ATOM 0 H LEU A 14 2.299 -3.365 2.196 1.00 22.45 H new ATOM 0 HA LEU A 14 1.317 -2.322 4.770 1.00 11.14 H new ATOM 0 HB2 LEU A 14 0.031 -2.311 2.006 1.00 35.13 H new ATOM 0 HB3 LEU A 14 -0.447 -1.353 3.394 1.00 35.13 H new ATOM 0 HG LEU A 14 2.105 -1.045 1.768 1.00 53.14 H new ATOM 0 HD11 LEU A 14 1.175 1.182 1.169 1.00 35.41 H new ATOM 0 HD12 LEU A 14 0.124 -0.151 0.633 1.00 35.41 H new ATOM 0 HD13 LEU A 14 -0.305 0.794 2.079 1.00 35.41 H new ATOM 0 HD21 LEU A 14 2.615 0.938 3.160 1.00 35.33 H new ATOM 0 HD22 LEU A 14 1.234 0.543 4.210 1.00 35.33 H new ATOM 0 HD23 LEU A 14 2.620 -0.569 4.106 1.00 35.33 H new ATOM 214 N VAL A 15 0.073 -4.451 5.343 1.00 31.41 N ATOM 215 CA VAL A 15 -0.881 -5.488 5.787 1.00 24.22 C ATOM 216 C VAL A 15 -2.063 -4.783 6.465 1.00 53.53 C ATOM 217 O VAL A 15 -1.914 -4.213 7.556 1.00 34.21 O ATOM 218 CB VAL A 15 -0.218 -6.518 6.776 1.00 63.10 C ATOM 219 CG1 VAL A 15 -1.236 -7.585 7.264 1.00 44.40 C ATOM 220 CG2 VAL A 15 1.021 -7.187 6.131 1.00 73.33 C ATOM 0 H VAL A 15 0.677 -4.108 6.090 1.00 31.41 H new ATOM 0 HA VAL A 15 -1.215 -6.059 4.921 1.00 24.22 H new ATOM 0 HB VAL A 15 0.114 -5.961 7.652 1.00 63.10 H new ATOM 0 HG11 VAL A 15 -0.740 -8.277 7.944 1.00 44.40 H new ATOM 0 HG12 VAL A 15 -2.058 -7.093 7.783 1.00 44.40 H new ATOM 0 HG13 VAL A 15 -1.625 -8.135 6.407 1.00 44.40 H new ATOM 0 HG21 VAL A 15 1.460 -7.894 6.835 1.00 73.33 H new ATOM 0 HG22 VAL A 15 0.720 -7.715 5.226 1.00 73.33 H new ATOM 0 HG23 VAL A 15 1.756 -6.423 5.877 1.00 73.33 H new ATOM 230 N VAL A 16 -3.227 -4.807 5.811 1.00 31.32 N ATOM 231 CA VAL A 16 -4.379 -3.981 6.214 1.00 10.13 C ATOM 232 C VAL A 16 -5.371 -4.802 7.052 1.00 61.31 C ATOM 233 O VAL A 16 -5.673 -5.950 6.725 1.00 11.11 O ATOM 234 CB VAL A 16 -5.126 -3.368 4.969 1.00 51.24 C ATOM 235 CG1 VAL A 16 -6.000 -2.159 5.382 1.00 72.11 C ATOM 236 CG2 VAL A 16 -4.135 -2.973 3.859 1.00 42.52 C ATOM 0 H VAL A 16 -3.402 -5.392 4.994 1.00 31.32 H new ATOM 0 HA VAL A 16 -3.986 -3.161 6.816 1.00 10.13 H new ATOM 0 HB VAL A 16 -5.784 -4.140 4.570 1.00 51.24 H new ATOM 0 HG11 VAL A 16 -6.503 -1.757 4.503 1.00 72.11 H new ATOM 0 HG12 VAL A 16 -6.744 -2.480 6.111 1.00 72.11 H new ATOM 0 HG13 VAL A 16 -5.369 -1.388 5.824 1.00 72.11 H new ATOM 0 HG21 VAL A 16 -4.682 -2.554 3.015 1.00 42.52 H new ATOM 0 HG22 VAL A 16 -3.436 -2.230 4.243 1.00 42.52 H new ATOM 0 HG23 VAL A 16 -3.584 -3.855 3.532 1.00 42.52 H new ATOM 246 N HIS A 17 -5.854 -4.196 8.145 1.00 52.40 N ATOM 247 CA HIS A 17 -6.843 -4.808 9.056 1.00 41.04 C ATOM 248 C HIS A 17 -8.154 -3.979 9.043 1.00 74.13 C ATOM 249 O HIS A 17 -8.865 -3.909 10.055 1.00 31.13 O ATOM 250 CB HIS A 17 -6.231 -4.892 10.483 1.00 11.40 C ATOM 251 CG HIS A 17 -4.887 -5.589 10.537 1.00 64.34 C ATOM 252 ND1 HIS A 17 -4.752 -6.959 10.607 1.00 70.30 N ATOM 253 CD2 HIS A 17 -3.621 -5.099 10.470 1.00 52.33 C ATOM 254 CE1 HIS A 17 -3.475 -7.279 10.583 1.00 2.50 C ATOM 255 NE2 HIS A 17 -2.770 -6.172 10.501 1.00 32.44 N ATOM 0 H HIS A 17 -5.569 -3.258 8.428 1.00 52.40 H new ATOM 0 HA HIS A 17 -7.089 -5.817 8.726 1.00 41.04 H new ATOM 0 HB2 HIS A 17 -6.122 -3.883 10.880 1.00 11.40 H new ATOM 0 HB3 HIS A 17 -6.928 -5.418 11.136 1.00 11.40 H new ATOM 0 HD2 HIS A 17 -3.339 -4.059 10.405 1.00 52.33 H new ATOM 0 HE1 HIS A 17 -3.074 -8.281 10.624 1.00 2.50 H new ATOM 0 HE2 HIS A 17 -1.752 -6.121 10.466 1.00 32.44 H new ATOM 264 N LEU A 18 -8.471 -3.379 7.865 1.00 70.04 N ATOM 265 CA LEU A 18 -9.654 -2.493 7.684 1.00 52.11 C ATOM 266 C LEU A 18 -11.008 -3.174 8.026 1.00 70.23 C ATOM 267 O LEU A 18 -11.143 -4.401 7.972 1.00 0.34 O ATOM 268 CB LEU A 18 -9.674 -1.852 6.245 1.00 75.33 C ATOM 269 CG LEU A 18 -9.480 -2.771 4.965 1.00 22.35 C ATOM 270 CD1 LEU A 18 -10.546 -3.872 4.788 1.00 13.31 C ATOM 271 CD2 LEU A 18 -9.409 -1.897 3.688 1.00 25.34 C ATOM 0 H LEU A 18 -7.916 -3.495 7.017 1.00 70.04 H new ATOM 0 HA LEU A 18 -9.539 -1.692 8.415 1.00 52.11 H new ATOM 0 HB2 LEU A 18 -10.628 -1.337 6.133 1.00 75.33 H new ATOM 0 HB3 LEU A 18 -8.895 -1.090 6.218 1.00 75.33 H new ATOM 0 HG LEU A 18 -8.539 -3.297 5.128 1.00 22.35 H new ATOM 0 HD11 LEU A 18 -10.329 -4.447 3.888 1.00 13.31 H new ATOM 0 HD12 LEU A 18 -10.532 -4.534 5.654 1.00 13.31 H new ATOM 0 HD13 LEU A 18 -11.531 -3.414 4.698 1.00 13.31 H new ATOM 0 HD21 LEU A 18 -9.276 -2.537 2.816 1.00 25.34 H new ATOM 0 HD22 LEU A 18 -10.334 -1.329 3.584 1.00 25.34 H new ATOM 0 HD23 LEU A 18 -8.567 -1.209 3.765 1.00 25.34 H new ATOM 283 N SER A 19 -12.003 -2.337 8.363 1.00 3.33 N ATOM 284 CA SER A 19 -13.380 -2.774 8.710 1.00 10.23 C ATOM 285 C SER A 19 -14.257 -3.019 7.450 1.00 72.34 C ATOM 286 O SER A 19 -15.463 -3.277 7.575 1.00 32.54 O ATOM 287 CB SER A 19 -14.042 -1.699 9.611 1.00 63.40 C ATOM 288 OG SER A 19 -13.263 -1.442 10.777 1.00 73.31 O ATOM 0 H SER A 19 -11.880 -1.325 8.405 1.00 3.33 H new ATOM 0 HA SER A 19 -13.307 -3.724 9.240 1.00 10.23 H new ATOM 0 HB2 SER A 19 -14.167 -0.776 9.045 1.00 63.40 H new ATOM 0 HB3 SER A 19 -15.038 -2.031 9.904 1.00 63.40 H new ATOM 0 HG SER A 19 -13.706 -0.759 11.323 1.00 73.31 H new ATOM 294 N GLY A 20 -13.653 -2.928 6.245 1.00 0.02 N ATOM 295 CA GLY A 20 -14.367 -3.153 4.974 1.00 33.34 C ATOM 296 C GLY A 20 -14.741 -4.630 4.703 1.00 25.02 C ATOM 297 O GLY A 20 -14.515 -5.499 5.553 1.00 22.23 O ATOM 0 H GLY A 20 -12.666 -2.699 6.129 1.00 0.02 H new ATOM 0 HA2 GLY A 20 -15.278 -2.554 4.972 1.00 33.34 H new ATOM 0 HA3 GLY A 20 -13.746 -2.792 4.154 1.00 33.34 H new ATOM 301 N PRO A 21 -15.319 -4.948 3.505 1.00 21.52 N ATOM 302 CA PRO A 21 -15.847 -6.303 3.181 1.00 2.13 C ATOM 303 C PRO A 21 -14.767 -7.298 2.675 1.00 12.43 C ATOM 304 O PRO A 21 -13.583 -6.952 2.543 1.00 3.41 O ATOM 305 CB PRO A 21 -16.866 -5.976 2.071 1.00 73.32 C ATOM 306 CG PRO A 21 -16.214 -4.858 1.310 1.00 74.31 C ATOM 307 CD PRO A 21 -15.501 -4.018 2.360 1.00 5.31 C ATOM 0 HA PRO A 21 -16.257 -6.810 4.054 1.00 2.13 H new ATOM 0 HB2 PRO A 21 -17.054 -6.839 1.433 1.00 73.32 H new ATOM 0 HB3 PRO A 21 -17.827 -5.671 2.486 1.00 73.32 H new ATOM 0 HG2 PRO A 21 -15.511 -5.243 0.571 1.00 74.31 H new ATOM 0 HG3 PRO A 21 -16.953 -4.267 0.769 1.00 74.31 H new ATOM 0 HD2 PRO A 21 -14.545 -3.647 1.992 1.00 5.31 H new ATOM 0 HD3 PRO A 21 -16.093 -3.148 2.643 1.00 5.31 H new ATOM 315 N GLY A 22 -15.209 -8.538 2.380 1.00 63.11 N ATOM 316 CA GLY A 22 -14.334 -9.580 1.818 1.00 60.50 C ATOM 317 C GLY A 22 -14.169 -9.478 0.292 1.00 75.34 C ATOM 318 O GLY A 22 -14.550 -10.395 -0.445 1.00 65.43 O ATOM 0 H GLY A 22 -16.173 -8.840 2.524 1.00 63.11 H new ATOM 0 HA2 GLY A 22 -13.353 -9.513 2.288 1.00 60.50 H new ATOM 0 HA3 GLY A 22 -14.741 -10.560 2.068 1.00 60.50 H new ATOM 322 N GLY A 23 -13.613 -8.340 -0.178 1.00 20.12 N ATOM 323 CA GLY A 23 -13.313 -8.124 -1.602 1.00 25.35 C ATOM 324 C GLY A 23 -14.513 -7.687 -2.468 1.00 61.01 C ATOM 325 O GLY A 23 -15.642 -7.605 -1.972 1.00 75.14 O ATOM 0 H GLY A 23 -13.362 -7.552 0.419 1.00 20.12 H new ATOM 0 HA2 GLY A 23 -12.533 -7.367 -1.682 1.00 25.35 H new ATOM 0 HA3 GLY A 23 -12.905 -9.047 -2.015 1.00 25.35 H new ATOM 329 N PRO A 24 -14.296 -7.357 -3.790 1.00 52.13 N ATOM 330 CA PRO A 24 -12.950 -7.259 -4.417 1.00 74.25 C ATOM 331 C PRO A 24 -12.295 -5.860 -4.185 1.00 31.45 C ATOM 332 O PRO A 24 -12.633 -4.871 -4.848 1.00 62.25 O ATOM 333 CB PRO A 24 -13.259 -7.540 -5.910 1.00 1.03 C ATOM 334 CG PRO A 24 -14.645 -6.992 -6.126 1.00 62.12 C ATOM 335 CD PRO A 24 -15.373 -7.087 -4.786 1.00 40.01 C ATOM 0 HA PRO A 24 -12.220 -7.951 -3.998 1.00 74.25 H new ATOM 0 HB2 PRO A 24 -12.535 -7.052 -6.562 1.00 1.03 H new ATOM 0 HB3 PRO A 24 -13.217 -8.607 -6.129 1.00 1.03 H new ATOM 0 HG2 PRO A 24 -14.602 -5.959 -6.470 1.00 62.12 H new ATOM 0 HG3 PRO A 24 -15.171 -7.562 -6.892 1.00 62.12 H new ATOM 0 HD2 PRO A 24 -15.902 -6.162 -4.556 1.00 40.01 H new ATOM 0 HD3 PRO A 24 -16.115 -7.886 -4.794 1.00 40.01 H new ATOM 343 N VAL A 25 -11.383 -5.787 -3.197 1.00 62.33 N ATOM 344 CA VAL A 25 -10.731 -4.523 -2.789 1.00 11.44 C ATOM 345 C VAL A 25 -9.584 -4.150 -3.772 1.00 43.44 C ATOM 346 O VAL A 25 -8.750 -5.000 -4.113 1.00 20.13 O ATOM 347 CB VAL A 25 -10.155 -4.616 -1.328 1.00 43.01 C ATOM 348 CG1 VAL A 25 -9.635 -3.245 -0.829 1.00 42.34 C ATOM 349 CG2 VAL A 25 -11.181 -5.228 -0.337 1.00 41.05 C ATOM 0 H VAL A 25 -11.077 -6.598 -2.660 1.00 62.33 H new ATOM 0 HA VAL A 25 -11.495 -3.746 -2.813 1.00 11.44 H new ATOM 0 HB VAL A 25 -9.303 -5.294 -1.367 1.00 43.01 H new ATOM 0 HG11 VAL A 25 -9.245 -3.350 0.183 1.00 42.34 H new ATOM 0 HG12 VAL A 25 -8.841 -2.895 -1.489 1.00 42.34 H new ATOM 0 HG13 VAL A 25 -10.452 -2.524 -0.830 1.00 42.34 H new ATOM 0 HG21 VAL A 25 -10.742 -5.274 0.660 1.00 41.05 H new ATOM 0 HG22 VAL A 25 -12.077 -4.607 -0.311 1.00 41.05 H new ATOM 0 HG23 VAL A 25 -11.446 -6.234 -0.663 1.00 41.05 H new ATOM 359 N ARG A 26 -9.556 -2.880 -4.207 1.00 2.34 N ATOM 360 CA ARG A 26 -8.534 -2.346 -5.136 1.00 42.41 C ATOM 361 C ARG A 26 -7.415 -1.594 -4.380 1.00 22.55 C ATOM 362 O ARG A 26 -7.632 -1.064 -3.288 1.00 25.24 O ATOM 363 CB ARG A 26 -9.204 -1.381 -6.148 1.00 54.20 C ATOM 364 CG ARG A 26 -10.285 -2.033 -7.036 1.00 74.42 C ATOM 365 CD ARG A 26 -10.908 -1.040 -8.034 1.00 40.12 C ATOM 366 NE ARG A 26 -11.898 -1.694 -8.906 1.00 1.42 N ATOM 367 CZ ARG A 26 -12.345 -1.225 -10.050 1.00 73.31 C ATOM 368 NH1 ARG A 26 -11.934 -0.087 -10.521 1.00 35.53 N ATOM 369 NH2 ARG A 26 -13.200 -1.916 -10.722 1.00 22.14 N ATOM 0 H ARG A 26 -10.246 -2.185 -3.924 1.00 2.34 H new ATOM 0 HA ARG A 26 -8.085 -3.190 -5.659 1.00 42.41 H new ATOM 0 HB2 ARG A 26 -9.654 -0.554 -5.599 1.00 54.20 H new ATOM 0 HB3 ARG A 26 -8.433 -0.955 -6.790 1.00 54.20 H new ATOM 0 HG2 ARG A 26 -9.846 -2.866 -7.584 1.00 74.42 H new ATOM 0 HG3 ARG A 26 -11.070 -2.447 -6.403 1.00 74.42 H new ATOM 0 HD2 ARG A 26 -11.385 -0.226 -7.488 1.00 40.12 H new ATOM 0 HD3 ARG A 26 -10.122 -0.596 -8.645 1.00 40.12 H new ATOM 0 HE ARG A 26 -12.270 -2.591 -8.595 1.00 1.42 H new ATOM 0 HH11 ARG A 26 -11.250 0.463 -10.001 1.00 35.53 H new ATOM 0 HH12 ARG A 26 -12.295 0.257 -11.411 1.00 35.53 H new ATOM 0 HH21 ARG A 26 -13.522 -2.816 -10.365 1.00 22.14 H new ATOM 0 HH22 ARG A 26 -13.555 -1.563 -11.611 1.00 22.14 H new ATOM 383 N TRP A 27 -6.216 -1.561 -4.984 1.00 54.40 N ATOM 384 CA TRP A 27 -5.055 -0.804 -4.462 1.00 0.42 C ATOM 385 C TRP A 27 -4.735 0.410 -5.350 1.00 15.21 C ATOM 386 O TRP A 27 -4.711 0.299 -6.576 1.00 62.42 O ATOM 387 CB TRP A 27 -3.811 -1.726 -4.347 1.00 3.31 C ATOM 388 CG TRP A 27 -3.781 -2.531 -3.075 1.00 63.35 C ATOM 389 CD1 TRP A 27 -4.115 -3.845 -2.898 1.00 62.41 C ATOM 390 CD2 TRP A 27 -3.410 -2.031 -1.787 1.00 13.01 C ATOM 391 NE1 TRP A 27 -3.923 -4.201 -1.587 1.00 62.02 N ATOM 392 CE2 TRP A 27 -3.500 -3.098 -0.884 1.00 72.54 C ATOM 393 CE3 TRP A 27 -2.992 -0.772 -1.322 1.00 53.25 C ATOM 394 CZ2 TRP A 27 -3.191 -2.949 0.461 1.00 34.24 C ATOM 395 CZ3 TRP A 27 -2.687 -0.627 0.014 1.00 71.31 C ATOM 396 CH2 TRP A 27 -2.787 -1.709 0.891 1.00 45.44 C ATOM 0 H TRP A 27 -6.019 -2.059 -5.852 1.00 54.40 H new ATOM 0 HA TRP A 27 -5.316 -0.438 -3.469 1.00 0.42 H new ATOM 0 HB2 TRP A 27 -3.791 -2.405 -5.199 1.00 3.31 H new ATOM 0 HB3 TRP A 27 -2.909 -1.116 -4.404 1.00 3.31 H new ATOM 0 HD1 TRP A 27 -4.476 -4.504 -3.674 1.00 62.41 H new ATOM 0 HE1 TRP A 27 -4.070 -5.132 -1.198 1.00 62.02 H new ATOM 0 HE3 TRP A 27 -2.911 0.066 -1.999 1.00 53.25 H new ATOM 0 HZ2 TRP A 27 -3.266 -3.780 1.146 1.00 34.24 H new ATOM 0 HZ3 TRP A 27 -2.367 0.335 0.387 1.00 71.31 H new ATOM 0 HH2 TRP A 27 -2.541 -1.567 1.933 1.00 45.44 H new ATOM 407 N TYR A 28 -4.508 1.570 -4.708 1.00 61.13 N ATOM 408 CA TYR A 28 -4.120 2.833 -5.382 1.00 10.22 C ATOM 409 C TYR A 28 -2.855 3.435 -4.726 1.00 51.20 C ATOM 410 O TYR A 28 -2.503 3.093 -3.593 1.00 72.12 O ATOM 411 CB TYR A 28 -5.281 3.874 -5.330 1.00 20.41 C ATOM 412 CG TYR A 28 -6.601 3.453 -6.018 1.00 42.14 C ATOM 413 CD1 TYR A 28 -7.474 2.541 -5.419 1.00 34.02 C ATOM 414 CD2 TYR A 28 -6.975 3.972 -7.258 1.00 23.23 C ATOM 415 CE1 TYR A 28 -8.654 2.174 -6.027 1.00 4.31 C ATOM 416 CE2 TYR A 28 -8.164 3.606 -7.865 1.00 45.13 C ATOM 417 CZ TYR A 28 -8.995 2.703 -7.245 1.00 11.25 C ATOM 418 OH TYR A 28 -10.188 2.337 -7.836 1.00 21.11 O ATOM 0 H TYR A 28 -4.588 1.663 -3.695 1.00 61.13 H new ATOM 0 HA TYR A 28 -3.905 2.599 -6.425 1.00 10.22 H new ATOM 0 HB2 TYR A 28 -5.495 4.098 -4.285 1.00 20.41 H new ATOM 0 HB3 TYR A 28 -4.934 4.799 -5.790 1.00 20.41 H new ATOM 0 HD1 TYR A 28 -7.218 2.115 -4.460 1.00 34.02 H new ATOM 0 HD2 TYR A 28 -6.323 4.675 -7.755 1.00 23.23 H new ATOM 0 HE1 TYR A 28 -9.312 1.468 -5.543 1.00 4.31 H new ATOM 0 HE2 TYR A 28 -8.438 4.028 -8.821 1.00 45.13 H new ATOM 0 HH TYR A 28 -10.283 2.800 -8.695 1.00 21.11 H new ATOM 428 N LYS A 29 -2.191 4.333 -5.462 1.00 2.43 N ATOM 429 CA LYS A 29 -1.015 5.100 -4.988 1.00 5.11 C ATOM 430 C LYS A 29 -0.918 6.428 -5.762 1.00 32.11 C ATOM 431 O LYS A 29 -0.982 6.424 -6.993 1.00 71.13 O ATOM 432 CB LYS A 29 0.291 4.269 -5.164 1.00 4.13 C ATOM 433 CG LYS A 29 1.631 5.032 -4.946 1.00 12.20 C ATOM 434 CD LYS A 29 1.721 5.752 -3.577 1.00 35.31 C ATOM 435 CE LYS A 29 3.064 6.468 -3.363 1.00 11.14 C ATOM 436 NZ LYS A 29 4.222 5.531 -3.319 1.00 42.22 N ATOM 0 H LYS A 29 -2.454 4.557 -6.422 1.00 2.43 H new ATOM 0 HA LYS A 29 -1.137 5.314 -3.926 1.00 5.11 H new ATOM 0 HB2 LYS A 29 0.258 3.430 -4.469 1.00 4.13 H new ATOM 0 HB3 LYS A 29 0.296 3.850 -6.170 1.00 4.13 H new ATOM 0 HG2 LYS A 29 2.458 4.327 -5.031 1.00 12.20 H new ATOM 0 HG3 LYS A 29 1.755 5.766 -5.742 1.00 12.20 H new ATOM 0 HD2 LYS A 29 0.912 6.478 -3.501 1.00 35.31 H new ATOM 0 HD3 LYS A 29 1.572 5.024 -2.779 1.00 35.31 H new ATOM 0 HE2 LYS A 29 3.217 7.189 -4.166 1.00 11.14 H new ATOM 0 HE3 LYS A 29 3.024 7.032 -2.431 1.00 11.14 H new ATOM 0 HZ1 LYS A 29 4.997 5.962 -2.775 1.00 42.22 H new ATOM 0 HZ2 LYS A 29 3.932 4.642 -2.864 1.00 42.22 H new ATOM 0 HZ3 LYS A 29 4.546 5.334 -4.287 1.00 42.22 H new ATOM 450 N ASP A 30 -0.790 7.552 -5.022 1.00 24.31 N ATOM 451 CA ASP A 30 -0.605 8.911 -5.600 1.00 3.20 C ATOM 452 C ASP A 30 -1.855 9.344 -6.441 1.00 72.00 C ATOM 453 O ASP A 30 -1.786 10.226 -7.303 1.00 44.44 O ATOM 454 CB ASP A 30 0.730 8.948 -6.425 1.00 54.21 C ATOM 455 CG ASP A 30 1.307 10.362 -6.623 1.00 21.02 C ATOM 456 OD1 ASP A 30 2.006 10.858 -5.710 1.00 3.11 O ATOM 457 OD2 ASP A 30 1.072 10.981 -7.684 1.00 12.32 O ATOM 0 H ASP A 30 -0.812 7.547 -4.002 1.00 24.31 H new ATOM 0 HA ASP A 30 -0.520 9.643 -4.796 1.00 3.20 H new ATOM 0 HB2 ASP A 30 1.474 8.331 -5.921 1.00 54.21 H new ATOM 0 HB3 ASP A 30 0.553 8.499 -7.402 1.00 54.21 H new ATOM 462 N GLY A 31 -3.011 8.715 -6.128 1.00 41.41 N ATOM 463 CA GLY A 31 -4.276 8.935 -6.847 1.00 32.33 C ATOM 464 C GLY A 31 -4.510 7.973 -8.033 1.00 1.31 C ATOM 465 O GLY A 31 -5.585 7.994 -8.641 1.00 63.42 O ATOM 0 H GLY A 31 -3.087 8.040 -5.367 1.00 41.41 H new ATOM 0 HA2 GLY A 31 -5.102 8.833 -6.144 1.00 32.33 H new ATOM 0 HA3 GLY A 31 -4.296 9.960 -7.217 1.00 32.33 H new ATOM 469 N GLU A 32 -3.518 7.117 -8.344 1.00 2.32 N ATOM 470 CA GLU A 32 -3.555 6.188 -9.505 1.00 41.14 C ATOM 471 C GLU A 32 -3.343 4.720 -9.051 1.00 42.41 C ATOM 472 O GLU A 32 -2.375 4.417 -8.353 1.00 50.30 O ATOM 473 CB GLU A 32 -2.463 6.599 -10.530 1.00 25.31 C ATOM 474 CG GLU A 32 -2.365 5.687 -11.769 1.00 40.25 C ATOM 475 CD GLU A 32 -1.224 6.087 -12.723 1.00 41.23 C ATOM 476 OE1 GLU A 32 -0.042 5.905 -12.355 1.00 74.04 O ATOM 477 OE2 GLU A 32 -1.498 6.569 -13.844 1.00 25.40 O ATOM 0 H GLU A 32 -2.660 7.045 -7.797 1.00 2.32 H new ATOM 0 HA GLU A 32 -4.537 6.253 -9.974 1.00 41.14 H new ATOM 0 HB2 GLU A 32 -2.660 7.619 -10.861 1.00 25.31 H new ATOM 0 HB3 GLU A 32 -1.497 6.609 -10.026 1.00 25.31 H new ATOM 0 HG2 GLU A 32 -2.215 4.657 -11.444 1.00 40.25 H new ATOM 0 HG3 GLU A 32 -3.311 5.716 -12.310 1.00 40.25 H new ATOM 484 N ARG A 33 -4.248 3.816 -9.481 1.00 12.31 N ATOM 485 CA ARG A 33 -4.240 2.387 -9.068 1.00 73.41 C ATOM 486 C ARG A 33 -2.954 1.618 -9.478 1.00 21.32 C ATOM 487 O ARG A 33 -2.355 1.873 -10.530 1.00 33.10 O ATOM 488 CB ARG A 33 -5.508 1.627 -9.583 1.00 71.44 C ATOM 489 CG ARG A 33 -5.604 1.406 -11.114 1.00 43.03 C ATOM 490 CD ARG A 33 -5.996 2.674 -11.888 1.00 32.32 C ATOM 491 NE ARG A 33 -6.140 2.434 -13.335 1.00 2.12 N ATOM 492 CZ ARG A 33 -6.318 3.366 -14.251 1.00 21.15 C ATOM 493 NH1 ARG A 33 -6.417 4.621 -13.936 1.00 34.53 N ATOM 494 NH2 ARG A 33 -6.422 3.021 -15.491 1.00 70.42 N ATOM 0 H ARG A 33 -5.005 4.050 -10.123 1.00 12.31 H new ATOM 0 HA ARG A 33 -4.256 2.412 -7.978 1.00 73.41 H new ATOM 0 HB2 ARG A 33 -5.545 0.653 -9.094 1.00 71.44 H new ATOM 0 HB3 ARG A 33 -6.391 2.179 -9.261 1.00 71.44 H new ATOM 0 HG2 ARG A 33 -4.644 1.046 -11.483 1.00 43.03 H new ATOM 0 HG3 ARG A 33 -6.336 0.624 -11.316 1.00 43.03 H new ATOM 0 HD2 ARG A 33 -6.935 3.061 -11.493 1.00 32.32 H new ATOM 0 HD3 ARG A 33 -5.241 3.443 -11.725 1.00 32.32 H new ATOM 0 HE ARG A 33 -6.099 1.466 -13.655 1.00 2.12 H new ATOM 0 HH11 ARG A 33 -6.357 4.908 -12.959 1.00 34.53 H new ATOM 0 HH12 ARG A 33 -6.554 5.321 -14.665 1.00 34.53 H new ATOM 0 HH21 ARG A 33 -6.366 2.037 -15.753 1.00 70.42 H new ATOM 0 HH22 ARG A 33 -6.560 3.733 -16.209 1.00 70.42 H new ATOM 508 N LEU A 34 -2.561 0.666 -8.612 1.00 33.14 N ATOM 509 CA LEU A 34 -1.407 -0.233 -8.834 1.00 34.03 C ATOM 510 C LEU A 34 -1.855 -1.542 -9.526 1.00 4.31 C ATOM 511 O LEU A 34 -3.013 -1.961 -9.407 1.00 32.33 O ATOM 512 CB LEU A 34 -0.690 -0.563 -7.486 1.00 61.23 C ATOM 513 CG LEU A 34 -0.055 0.641 -6.712 1.00 1.33 C ATOM 514 CD1 LEU A 34 0.764 0.174 -5.496 1.00 13.22 C ATOM 515 CD2 LEU A 34 0.800 1.529 -7.651 1.00 44.11 C ATOM 0 H LEU A 34 -3.039 0.495 -7.728 1.00 33.14 H new ATOM 0 HA LEU A 34 -0.704 0.285 -9.486 1.00 34.03 H new ATOM 0 HB2 LEU A 34 -1.411 -1.048 -6.828 1.00 61.23 H new ATOM 0 HB3 LEU A 34 0.097 -1.290 -7.688 1.00 61.23 H new ATOM 0 HG LEU A 34 -0.879 1.247 -6.336 1.00 1.33 H new ATOM 0 HD11 LEU A 34 1.187 1.041 -4.988 1.00 13.22 H new ATOM 0 HD12 LEU A 34 0.116 -0.370 -4.808 1.00 13.22 H new ATOM 0 HD13 LEU A 34 1.570 -0.480 -5.829 1.00 13.22 H new ATOM 0 HD21 LEU A 34 1.226 2.355 -7.082 1.00 44.11 H new ATOM 0 HD22 LEU A 34 1.604 0.933 -8.083 1.00 44.11 H new ATOM 0 HD23 LEU A 34 0.172 1.924 -8.450 1.00 44.11 H new ATOM 527 N ALA A 35 -0.912 -2.177 -10.237 1.00 73.42 N ATOM 528 CA ALA A 35 -1.116 -3.476 -10.917 1.00 50.22 C ATOM 529 C ALA A 35 -0.112 -4.524 -10.383 1.00 25.41 C ATOM 530 O ALA A 35 0.932 -4.167 -9.821 1.00 61.11 O ATOM 531 CB ALA A 35 -0.967 -3.306 -12.443 1.00 51.33 C ATOM 0 H ALA A 35 0.029 -1.802 -10.361 1.00 73.42 H new ATOM 0 HA ALA A 35 -2.125 -3.830 -10.706 1.00 50.22 H new ATOM 0 HB1 ALA A 35 -1.119 -4.268 -12.933 1.00 51.33 H new ATOM 0 HB2 ALA A 35 -1.709 -2.594 -12.804 1.00 51.33 H new ATOM 0 HB3 ALA A 35 0.032 -2.936 -12.672 1.00 51.33 H new ATOM 537 N SER A 36 -0.439 -5.813 -10.569 1.00 63.25 N ATOM 538 CA SER A 36 0.432 -6.941 -10.170 1.00 23.50 C ATOM 539 C SER A 36 1.735 -6.957 -11.015 1.00 24.32 C ATOM 540 O SER A 36 1.781 -7.507 -12.119 1.00 72.31 O ATOM 541 CB SER A 36 -0.346 -8.281 -10.286 1.00 3.13 C ATOM 542 OG SER A 36 -0.884 -8.482 -11.592 1.00 65.33 O ATOM 0 H SER A 36 -1.315 -6.107 -11.001 1.00 63.25 H new ATOM 0 HA SER A 36 0.725 -6.811 -9.128 1.00 23.50 H new ATOM 0 HB2 SER A 36 0.320 -9.108 -10.038 1.00 3.13 H new ATOM 0 HB3 SER A 36 -1.155 -8.293 -9.556 1.00 3.13 H new ATOM 0 HG SER A 36 -0.198 -8.282 -12.263 1.00 65.33 H new ATOM 548 N GLN A 37 2.772 -6.289 -10.488 1.00 3.42 N ATOM 549 CA GLN A 37 4.072 -6.089 -11.173 1.00 35.23 C ATOM 550 C GLN A 37 5.205 -6.829 -10.403 1.00 20.22 C ATOM 551 O GLN A 37 5.024 -7.206 -9.242 1.00 1.35 O ATOM 552 CB GLN A 37 4.337 -4.552 -11.270 1.00 14.14 C ATOM 553 CG GLN A 37 5.566 -4.127 -12.099 1.00 31.51 C ATOM 554 CD GLN A 37 5.766 -2.607 -12.158 1.00 51.50 C ATOM 555 OE1 GLN A 37 6.431 -2.016 -11.316 1.00 3.45 O ATOM 556 NE2 GLN A 37 5.195 -1.960 -13.156 1.00 35.03 N ATOM 0 H GLN A 37 2.738 -5.864 -9.561 1.00 3.42 H new ATOM 0 HA GLN A 37 4.049 -6.509 -12.179 1.00 35.23 H new ATOM 0 HB2 GLN A 37 3.454 -4.078 -11.698 1.00 14.14 H new ATOM 0 HB3 GLN A 37 4.452 -4.159 -10.260 1.00 14.14 H new ATOM 0 HG2 GLN A 37 6.458 -4.587 -11.674 1.00 31.51 H new ATOM 0 HG3 GLN A 37 5.461 -4.512 -13.113 1.00 31.51 H new ATOM 0 HE21 GLN A 37 4.645 -2.471 -13.847 1.00 35.03 H new ATOM 0 HE22 GLN A 37 5.303 -0.949 -13.237 1.00 35.03 H new ATOM 565 N GLY A 38 6.374 -7.017 -11.060 1.00 0.42 N ATOM 566 CA GLY A 38 7.543 -7.697 -10.456 1.00 32.12 C ATOM 567 C GLY A 38 8.104 -7.034 -9.179 1.00 43.14 C ATOM 568 O GLY A 38 8.838 -7.673 -8.420 1.00 41.14 O ATOM 0 H GLY A 38 6.532 -6.704 -12.018 1.00 0.42 H new ATOM 0 HA2 GLY A 38 7.263 -8.724 -10.220 1.00 32.12 H new ATOM 0 HA3 GLY A 38 8.338 -7.746 -11.200 1.00 32.12 H new ATOM 572 N ARG A 39 7.771 -5.744 -8.950 1.00 34.45 N ATOM 573 CA ARG A 39 8.145 -5.018 -7.710 1.00 74.41 C ATOM 574 C ARG A 39 6.899 -4.478 -6.954 1.00 3.11 C ATOM 575 O ARG A 39 7.030 -3.770 -5.956 1.00 10.30 O ATOM 576 CB ARG A 39 9.130 -3.869 -8.056 1.00 32.30 C ATOM 577 CG ARG A 39 8.521 -2.685 -8.843 1.00 50.33 C ATOM 578 CD ARG A 39 9.580 -1.648 -9.270 1.00 11.21 C ATOM 579 NE ARG A 39 10.370 -1.131 -8.127 1.00 23.42 N ATOM 580 CZ ARG A 39 11.656 -1.369 -7.907 1.00 74.22 C ATOM 581 NH1 ARG A 39 12.346 -2.145 -8.686 1.00 62.05 N ATOM 582 NH2 ARG A 39 12.239 -0.834 -6.896 1.00 42.20 N ATOM 0 H ARG A 39 7.240 -5.178 -9.612 1.00 34.45 H new ATOM 0 HA ARG A 39 8.637 -5.721 -7.038 1.00 74.41 H new ATOM 0 HB2 ARG A 39 9.554 -3.486 -7.128 1.00 32.30 H new ATOM 0 HB3 ARG A 39 9.954 -4.283 -8.637 1.00 32.30 H new ATOM 0 HG2 ARG A 39 8.013 -3.066 -9.729 1.00 50.33 H new ATOM 0 HG3 ARG A 39 7.766 -2.195 -8.228 1.00 50.33 H new ATOM 0 HD2 ARG A 39 10.254 -2.102 -9.996 1.00 11.21 H new ATOM 0 HD3 ARG A 39 9.086 -0.815 -9.771 1.00 11.21 H new ATOM 0 HE ARG A 39 9.883 -0.542 -7.452 1.00 23.42 H new ATOM 0 HH11 ARG A 39 11.900 -2.588 -9.489 1.00 62.05 H new ATOM 0 HH12 ARG A 39 13.334 -2.312 -8.495 1.00 62.05 H new ATOM 0 HH21 ARG A 39 11.713 -0.229 -6.266 1.00 42.20 H new ATOM 0 HH22 ARG A 39 13.228 -1.014 -6.723 1.00 42.20 H new ATOM 596 N VAL A 40 5.688 -4.818 -7.452 1.00 72.44 N ATOM 597 CA VAL A 40 4.391 -4.420 -6.843 1.00 1.52 C ATOM 598 C VAL A 40 3.513 -5.690 -6.637 1.00 61.25 C ATOM 599 O VAL A 40 2.727 -6.081 -7.511 1.00 41.44 O ATOM 600 CB VAL A 40 3.636 -3.349 -7.735 1.00 31.52 C ATOM 601 CG1 VAL A 40 2.278 -2.936 -7.121 1.00 5.00 C ATOM 602 CG2 VAL A 40 4.520 -2.100 -7.993 1.00 44.41 C ATOM 0 H VAL A 40 5.579 -5.381 -8.295 1.00 72.44 H new ATOM 0 HA VAL A 40 4.584 -3.952 -5.878 1.00 1.52 H new ATOM 0 HB VAL A 40 3.433 -3.828 -8.693 1.00 31.52 H new ATOM 0 HG11 VAL A 40 1.796 -2.201 -7.765 1.00 5.00 H new ATOM 0 HG12 VAL A 40 1.638 -3.814 -7.029 1.00 5.00 H new ATOM 0 HG13 VAL A 40 2.442 -2.502 -6.135 1.00 5.00 H new ATOM 0 HG21 VAL A 40 3.971 -1.386 -8.608 1.00 44.41 H new ATOM 0 HG22 VAL A 40 4.780 -1.635 -7.042 1.00 44.41 H new ATOM 0 HG23 VAL A 40 5.431 -2.400 -8.511 1.00 44.41 H new ATOM 612 N GLN A 41 3.712 -6.360 -5.488 1.00 42.21 N ATOM 613 CA GLN A 41 3.054 -7.646 -5.158 1.00 72.24 C ATOM 614 C GLN A 41 1.682 -7.413 -4.469 1.00 34.52 C ATOM 615 O GLN A 41 1.630 -6.980 -3.316 1.00 33.31 O ATOM 616 CB GLN A 41 3.983 -8.482 -4.231 1.00 20.05 C ATOM 617 CG GLN A 41 5.415 -8.703 -4.772 1.00 64.21 C ATOM 618 CD GLN A 41 6.313 -9.526 -3.830 1.00 51.20 C ATOM 619 OE1 GLN A 41 6.158 -9.505 -2.614 1.00 61.21 O ATOM 620 NE2 GLN A 41 7.272 -10.244 -4.383 1.00 60.05 N ATOM 0 H GLN A 41 4.337 -6.026 -4.755 1.00 42.21 H new ATOM 0 HA GLN A 41 2.875 -8.191 -6.085 1.00 72.24 H new ATOM 0 HB2 GLN A 41 4.049 -7.985 -3.263 1.00 20.05 H new ATOM 0 HB3 GLN A 41 3.521 -9.454 -4.059 1.00 20.05 H new ATOM 0 HG2 GLN A 41 5.356 -9.208 -5.736 1.00 64.21 H new ATOM 0 HG3 GLN A 41 5.881 -7.733 -4.948 1.00 64.21 H new ATOM 0 HE21 GLN A 41 7.385 -10.249 -5.397 1.00 60.05 H new ATOM 0 HE22 GLN A 41 7.900 -10.794 -3.797 1.00 60.05 H new ATOM 629 N LEU A 42 0.578 -7.692 -5.189 1.00 3.33 N ATOM 630 CA LEU A 42 -0.800 -7.518 -4.661 1.00 64.41 C ATOM 631 C LEU A 42 -1.404 -8.848 -4.142 1.00 31.31 C ATOM 632 O LEU A 42 -1.208 -9.913 -4.739 1.00 71.23 O ATOM 633 CB LEU A 42 -1.724 -6.906 -5.753 1.00 64.01 C ATOM 634 CG LEU A 42 -1.363 -5.459 -6.226 1.00 22.23 C ATOM 635 CD1 LEU A 42 -2.428 -4.907 -7.197 1.00 2.04 C ATOM 636 CD2 LEU A 42 -1.181 -4.507 -5.027 1.00 12.05 C ATOM 0 H LEU A 42 0.609 -8.042 -6.147 1.00 3.33 H new ATOM 0 HA LEU A 42 -0.734 -6.836 -3.814 1.00 64.41 H new ATOM 0 HB2 LEU A 42 -1.712 -7.564 -6.622 1.00 64.01 H new ATOM 0 HB3 LEU A 42 -2.746 -6.898 -5.373 1.00 64.01 H new ATOM 0 HG LEU A 42 -0.414 -5.518 -6.759 1.00 22.23 H new ATOM 0 HD11 LEU A 42 -2.150 -3.900 -7.508 1.00 2.04 H new ATOM 0 HD12 LEU A 42 -2.492 -5.553 -8.073 1.00 2.04 H new ATOM 0 HD13 LEU A 42 -3.396 -4.878 -6.697 1.00 2.04 H new ATOM 0 HD21 LEU A 42 -0.931 -3.510 -5.389 1.00 12.05 H new ATOM 0 HD22 LEU A 42 -2.107 -4.463 -4.453 1.00 12.05 H new ATOM 0 HD23 LEU A 42 -0.376 -4.874 -4.390 1.00 12.05 H new ATOM 648 N GLU A 43 -2.153 -8.752 -3.024 1.00 65.41 N ATOM 649 CA GLU A 43 -2.902 -9.884 -2.427 1.00 15.22 C ATOM 650 C GLU A 43 -4.406 -9.527 -2.305 1.00 73.22 C ATOM 651 O GLU A 43 -4.754 -8.403 -1.920 1.00 22.44 O ATOM 652 CB GLU A 43 -2.341 -10.230 -1.022 1.00 52.13 C ATOM 653 CG GLU A 43 -2.967 -11.494 -0.383 1.00 72.30 C ATOM 654 CD GLU A 43 -2.756 -11.592 1.136 1.00 71.52 C ATOM 655 OE1 GLU A 43 -1.687 -12.066 1.576 1.00 20.31 O ATOM 656 OE2 GLU A 43 -3.672 -11.213 1.893 1.00 31.14 O ATOM 0 H GLU A 43 -2.258 -7.881 -2.504 1.00 65.41 H new ATOM 0 HA GLU A 43 -2.786 -10.749 -3.080 1.00 15.22 H new ATOM 0 HB2 GLU A 43 -1.263 -10.371 -1.098 1.00 52.13 H new ATOM 0 HB3 GLU A 43 -2.506 -9.381 -0.358 1.00 52.13 H new ATOM 0 HG2 GLU A 43 -4.037 -11.504 -0.593 1.00 72.30 H new ATOM 0 HG3 GLU A 43 -2.541 -12.378 -0.857 1.00 72.30 H new ATOM 663 N GLN A 44 -5.286 -10.496 -2.625 1.00 2.34 N ATOM 664 CA GLN A 44 -6.753 -10.342 -2.493 1.00 3.12 C ATOM 665 C GLN A 44 -7.329 -11.374 -1.476 1.00 63.22 C ATOM 666 O GLN A 44 -7.354 -12.579 -1.749 1.00 0.04 O ATOM 667 CB GLN A 44 -7.426 -10.525 -3.886 1.00 12.52 C ATOM 668 CG GLN A 44 -8.960 -10.350 -3.889 1.00 31.11 C ATOM 669 CD GLN A 44 -9.615 -10.734 -5.219 1.00 31.13 C ATOM 670 OE1 GLN A 44 -9.987 -11.885 -5.431 1.00 31.02 O ATOM 671 NE2 GLN A 44 -9.762 -9.787 -6.126 1.00 53.21 N ATOM 0 H GLN A 44 -5.003 -11.408 -2.982 1.00 2.34 H new ATOM 0 HA GLN A 44 -6.967 -9.341 -2.118 1.00 3.12 H new ATOM 0 HB2 GLN A 44 -6.991 -9.808 -4.582 1.00 12.52 H new ATOM 0 HB3 GLN A 44 -7.187 -11.520 -4.262 1.00 12.52 H new ATOM 0 HG2 GLN A 44 -9.389 -10.958 -3.093 1.00 31.11 H new ATOM 0 HG3 GLN A 44 -9.200 -9.311 -3.661 1.00 31.11 H new ATOM 0 HE21 GLN A 44 -9.446 -8.838 -5.928 1.00 53.21 H new ATOM 0 HE22 GLN A 44 -10.192 -10.004 -7.025 1.00 53.21 H new ATOM 680 N ALA A 45 -7.753 -10.888 -0.298 1.00 73.10 N ATOM 681 CA ALA A 45 -8.542 -11.674 0.687 1.00 31.25 C ATOM 682 C ALA A 45 -9.801 -10.877 1.096 1.00 25.24 C ATOM 683 O ALA A 45 -10.927 -11.400 1.084 1.00 54.22 O ATOM 684 CB ALA A 45 -7.688 -12.027 1.921 1.00 42.12 C ATOM 0 H ALA A 45 -7.561 -9.934 0.007 1.00 73.10 H new ATOM 0 HA ALA A 45 -8.852 -12.611 0.224 1.00 31.25 H new ATOM 0 HB1 ALA A 45 -8.288 -12.602 2.626 1.00 42.12 H new ATOM 0 HB2 ALA A 45 -6.827 -12.619 1.610 1.00 42.12 H new ATOM 0 HB3 ALA A 45 -7.344 -11.110 2.400 1.00 42.12 H new ATOM 690 N GLY A 46 -9.588 -9.594 1.450 1.00 23.02 N ATOM 691 CA GLY A 46 -10.672 -8.670 1.816 1.00 25.31 C ATOM 692 C GLY A 46 -10.401 -7.961 3.138 1.00 72.33 C ATOM 693 O GLY A 46 -10.047 -6.776 3.155 1.00 32.24 O ATOM 0 H GLY A 46 -8.660 -9.173 1.489 1.00 23.02 H new ATOM 0 HA2 GLY A 46 -10.797 -7.929 1.027 1.00 25.31 H new ATOM 0 HA3 GLY A 46 -11.609 -9.222 1.887 1.00 25.31 H new ATOM 697 N ALA A 47 -10.567 -8.706 4.249 1.00 41.04 N ATOM 698 CA ALA A 47 -10.235 -8.221 5.612 1.00 33.15 C ATOM 699 C ALA A 47 -8.712 -7.976 5.759 1.00 23.02 C ATOM 700 O ALA A 47 -8.282 -7.042 6.447 1.00 65.42 O ATOM 701 CB ALA A 47 -10.730 -9.223 6.668 1.00 32.35 C ATOM 0 H ALA A 47 -10.933 -9.658 4.232 1.00 41.04 H new ATOM 0 HA ALA A 47 -10.742 -7.269 5.770 1.00 33.15 H new ATOM 0 HB1 ALA A 47 -10.480 -8.856 7.663 1.00 32.35 H new ATOM 0 HB2 ALA A 47 -11.811 -9.336 6.584 1.00 32.35 H new ATOM 0 HB3 ALA A 47 -10.250 -10.188 6.507 1.00 32.35 H new ATOM 707 N ARG A 48 -7.906 -8.850 5.110 1.00 43.35 N ATOM 708 CA ARG A 48 -6.447 -8.657 4.966 1.00 51.44 C ATOM 709 C ARG A 48 -6.085 -8.377 3.491 1.00 34.15 C ATOM 710 O ARG A 48 -6.202 -9.256 2.634 1.00 11.40 O ATOM 711 CB ARG A 48 -5.647 -9.891 5.472 1.00 14.12 C ATOM 712 CG ARG A 48 -4.118 -9.637 5.578 1.00 21.44 C ATOM 713 CD ARG A 48 -3.306 -10.902 5.923 1.00 33.22 C ATOM 714 NE ARG A 48 -3.248 -11.850 4.796 1.00 43.04 N ATOM 715 CZ ARG A 48 -2.870 -13.108 4.870 1.00 15.55 C ATOM 716 NH1 ARG A 48 -2.569 -13.663 6.005 1.00 31.11 N ATOM 717 NH2 ARG A 48 -2.807 -13.810 3.788 1.00 53.22 N ATOM 0 H ARG A 48 -8.250 -9.705 4.674 1.00 43.35 H new ATOM 0 HA ARG A 48 -6.172 -7.800 5.581 1.00 51.44 H new ATOM 0 HB2 ARG A 48 -6.027 -10.184 6.450 1.00 14.12 H new ATOM 0 HB3 ARG A 48 -5.822 -10.729 4.798 1.00 14.12 H new ATOM 0 HG2 ARG A 48 -3.759 -9.231 4.632 1.00 21.44 H new ATOM 0 HG3 ARG A 48 -3.936 -8.879 6.340 1.00 21.44 H new ATOM 0 HD2 ARG A 48 -2.293 -10.616 6.207 1.00 33.22 H new ATOM 0 HD3 ARG A 48 -3.753 -11.394 6.787 1.00 33.22 H new ATOM 0 HE ARG A 48 -3.525 -11.500 3.879 1.00 43.04 H new ATOM 0 HH11 ARG A 48 -2.623 -13.121 6.868 1.00 31.11 H new ATOM 0 HH12 ARG A 48 -2.279 -14.640 6.034 1.00 31.11 H new ATOM 0 HH21 ARG A 48 -3.049 -13.388 2.891 1.00 53.22 H new ATOM 0 HH22 ARG A 48 -2.516 -14.787 3.830 1.00 53.22 H new ATOM 731 N GLN A 49 -5.686 -7.134 3.203 1.00 14.12 N ATOM 732 CA GLN A 49 -5.099 -6.747 1.903 1.00 54.41 C ATOM 733 C GLN A 49 -3.591 -6.501 2.074 1.00 64.54 C ATOM 734 O GLN A 49 -3.177 -5.877 3.048 1.00 21.30 O ATOM 735 CB GLN A 49 -5.806 -5.482 1.358 1.00 1.33 C ATOM 736 CG GLN A 49 -7.281 -5.692 0.978 1.00 61.24 C ATOM 737 CD GLN A 49 -7.463 -6.736 -0.126 1.00 13.23 C ATOM 738 OE1 GLN A 49 -7.667 -7.918 0.126 1.00 72.45 O ATOM 739 NE2 GLN A 49 -7.356 -6.310 -1.368 1.00 52.43 N ATOM 0 H GLN A 49 -5.759 -6.360 3.864 1.00 14.12 H new ATOM 0 HA GLN A 49 -5.242 -7.553 1.183 1.00 54.41 H new ATOM 0 HB2 GLN A 49 -5.746 -4.695 2.110 1.00 1.33 H new ATOM 0 HB3 GLN A 49 -5.265 -5.128 0.481 1.00 1.33 H new ATOM 0 HG2 GLN A 49 -7.839 -6.002 1.861 1.00 61.24 H new ATOM 0 HG3 GLN A 49 -7.706 -4.744 0.649 1.00 61.24 H new ATOM 0 HE21 GLN A 49 -7.186 -5.322 -1.555 1.00 52.43 H new ATOM 0 HE22 GLN A 49 -7.443 -6.968 -2.142 1.00 52.43 H new ATOM 748 N VAL A 50 -2.761 -7.019 1.146 1.00 23.31 N ATOM 749 CA VAL A 50 -1.287 -6.874 1.236 1.00 65.44 C ATOM 750 C VAL A 50 -0.679 -6.352 -0.098 1.00 13.20 C ATOM 751 O VAL A 50 -0.747 -7.019 -1.132 1.00 31.03 O ATOM 752 CB VAL A 50 -0.587 -8.218 1.689 1.00 40.44 C ATOM 753 CG1 VAL A 50 0.947 -8.050 1.806 1.00 15.15 C ATOM 754 CG2 VAL A 50 -1.168 -8.738 3.032 1.00 54.23 C ATOM 0 H VAL A 50 -3.080 -7.539 0.329 1.00 23.31 H new ATOM 0 HA VAL A 50 -1.092 -6.128 2.006 1.00 65.44 H new ATOM 0 HB VAL A 50 -0.794 -8.956 0.914 1.00 40.44 H new ATOM 0 HG11 VAL A 50 1.394 -8.994 2.119 1.00 15.15 H new ATOM 0 HG12 VAL A 50 1.356 -7.759 0.839 1.00 15.15 H new ATOM 0 HG13 VAL A 50 1.173 -7.279 2.543 1.00 15.15 H new ATOM 0 HG21 VAL A 50 -0.664 -9.663 3.313 1.00 54.23 H new ATOM 0 HG22 VAL A 50 -1.013 -7.990 3.809 1.00 54.23 H new ATOM 0 HG23 VAL A 50 -2.235 -8.927 2.918 1.00 54.23 H new ATOM 764 N LEU A 51 -0.123 -5.129 -0.044 1.00 64.42 N ATOM 765 CA LEU A 51 0.685 -4.516 -1.130 1.00 74.15 C ATOM 766 C LEU A 51 2.166 -4.513 -0.697 1.00 32.43 C ATOM 767 O LEU A 51 2.512 -3.934 0.337 1.00 73.44 O ATOM 768 CB LEU A 51 0.125 -3.077 -1.442 1.00 62.04 C ATOM 769 CG LEU A 51 0.941 -2.070 -2.355 1.00 71.53 C ATOM 770 CD1 LEU A 51 1.997 -1.276 -1.555 1.00 33.11 C ATOM 771 CD2 LEU A 51 1.586 -2.763 -3.571 1.00 23.11 C ATOM 0 H LEU A 51 -0.221 -4.521 0.769 1.00 64.42 H new ATOM 0 HA LEU A 51 0.616 -5.088 -2.055 1.00 74.15 H new ATOM 0 HB2 LEU A 51 -0.854 -3.207 -1.904 1.00 62.04 H new ATOM 0 HB3 LEU A 51 -0.038 -2.582 -0.485 1.00 62.04 H new ATOM 0 HG LEU A 51 0.208 -1.358 -2.735 1.00 71.53 H new ATOM 0 HD11 LEU A 51 2.529 -0.600 -2.225 1.00 33.11 H new ATOM 0 HD12 LEU A 51 1.503 -0.698 -0.774 1.00 33.11 H new ATOM 0 HD13 LEU A 51 2.706 -1.968 -1.101 1.00 33.11 H new ATOM 0 HD21 LEU A 51 2.132 -2.027 -4.162 1.00 23.11 H new ATOM 0 HD22 LEU A 51 2.274 -3.535 -3.227 1.00 23.11 H new ATOM 0 HD23 LEU A 51 0.809 -3.217 -4.186 1.00 23.11 H new ATOM 783 N ARG A 52 3.037 -5.179 -1.482 1.00 5.00 N ATOM 784 CA ARG A 52 4.480 -5.269 -1.175 1.00 32.32 C ATOM 785 C ARG A 52 5.319 -4.613 -2.291 1.00 12.11 C ATOM 786 O ARG A 52 5.454 -5.166 -3.389 1.00 0.22 O ATOM 787 CB ARG A 52 4.916 -6.747 -0.965 1.00 42.21 C ATOM 788 CG ARG A 52 3.986 -7.543 -0.032 1.00 62.03 C ATOM 789 CD ARG A 52 4.468 -8.978 0.240 1.00 34.21 C ATOM 790 NE ARG A 52 5.580 -9.026 1.208 1.00 45.13 N ATOM 791 CZ ARG A 52 6.625 -9.821 1.149 1.00 21.33 C ATOM 792 NH1 ARG A 52 6.898 -10.506 0.081 1.00 60.40 N ATOM 793 NH2 ARG A 52 7.418 -9.892 2.162 1.00 72.43 N ATOM 0 H ARG A 52 2.765 -5.664 -2.337 1.00 5.00 H new ATOM 0 HA ARG A 52 4.657 -4.727 -0.246 1.00 32.32 H new ATOM 0 HB2 ARG A 52 4.956 -7.245 -1.934 1.00 42.21 H new ATOM 0 HB3 ARG A 52 5.926 -6.763 -0.556 1.00 42.21 H new ATOM 0 HG2 ARG A 52 3.896 -7.013 0.916 1.00 62.03 H new ATOM 0 HG3 ARG A 52 2.989 -7.581 -0.472 1.00 62.03 H new ATOM 0 HD2 ARG A 52 3.636 -9.572 0.618 1.00 34.21 H new ATOM 0 HD3 ARG A 52 4.786 -9.435 -0.697 1.00 34.21 H new ATOM 0 HE ARG A 52 5.534 -8.382 1.997 1.00 45.13 H new ATOM 0 HH11 ARG A 52 6.295 -10.435 -0.739 1.00 60.40 H new ATOM 0 HH12 ARG A 52 7.715 -11.116 0.061 1.00 60.40 H new ATOM 0 HH21 ARG A 52 7.231 -9.335 2.996 1.00 72.43 H new ATOM 0 HH22 ARG A 52 8.233 -10.505 2.130 1.00 72.43 H new ATOM 807 N VAL A 53 5.876 -3.424 -2.007 1.00 22.34 N ATOM 808 CA VAL A 53 6.801 -2.738 -2.921 1.00 74.32 C ATOM 809 C VAL A 53 8.241 -3.266 -2.715 1.00 61.51 C ATOM 810 O VAL A 53 8.960 -2.816 -1.819 1.00 62.24 O ATOM 811 CB VAL A 53 6.752 -1.175 -2.745 1.00 25.21 C ATOM 812 CG1 VAL A 53 7.742 -0.479 -3.705 1.00 51.01 C ATOM 813 CG2 VAL A 53 5.314 -0.629 -2.939 1.00 65.14 C ATOM 0 H VAL A 53 5.698 -2.914 -1.142 1.00 22.34 H new ATOM 0 HA VAL A 53 6.483 -2.956 -3.941 1.00 74.32 H new ATOM 0 HB VAL A 53 7.056 -0.948 -1.723 1.00 25.21 H new ATOM 0 HG11 VAL A 53 7.688 0.600 -3.563 1.00 51.01 H new ATOM 0 HG12 VAL A 53 8.755 -0.823 -3.495 1.00 51.01 H new ATOM 0 HG13 VAL A 53 7.482 -0.723 -4.735 1.00 51.01 H new ATOM 0 HG21 VAL A 53 5.315 0.453 -2.811 1.00 65.14 H new ATOM 0 HG22 VAL A 53 4.963 -0.875 -3.941 1.00 65.14 H new ATOM 0 HG23 VAL A 53 4.651 -1.081 -2.201 1.00 65.14 H new ATOM 823 N GLN A 54 8.632 -4.240 -3.549 1.00 22.34 N ATOM 824 CA GLN A 54 9.978 -4.838 -3.526 1.00 33.40 C ATOM 825 C GLN A 54 11.011 -3.868 -4.154 1.00 21.43 C ATOM 826 O GLN A 54 11.024 -3.662 -5.371 1.00 13.43 O ATOM 827 CB GLN A 54 9.945 -6.208 -4.259 1.00 41.41 C ATOM 828 CG GLN A 54 11.285 -6.968 -4.281 1.00 2.13 C ATOM 829 CD GLN A 54 11.178 -8.346 -4.941 1.00 10.14 C ATOM 830 OE1 GLN A 54 10.929 -9.349 -4.278 1.00 10.40 O ATOM 831 NE2 GLN A 54 11.333 -8.408 -6.252 1.00 42.21 N ATOM 0 H GLN A 54 8.022 -4.638 -4.263 1.00 22.34 H new ATOM 0 HA GLN A 54 10.288 -5.011 -2.496 1.00 33.40 H new ATOM 0 HB2 GLN A 54 9.194 -6.839 -3.783 1.00 41.41 H new ATOM 0 HB3 GLN A 54 9.620 -6.045 -5.287 1.00 41.41 H new ATOM 0 HG2 GLN A 54 12.026 -6.372 -4.814 1.00 2.13 H new ATOM 0 HG3 GLN A 54 11.646 -7.087 -3.260 1.00 2.13 H new ATOM 0 HE21 GLN A 54 11.539 -7.561 -6.782 1.00 42.21 H new ATOM 0 HE22 GLN A 54 11.246 -9.303 -6.734 1.00 42.21 H new ATOM 840 N GLY A 55 11.860 -3.266 -3.303 1.00 70.02 N ATOM 841 CA GLY A 55 12.791 -2.207 -3.729 1.00 53.45 C ATOM 842 C GLY A 55 12.285 -0.805 -3.378 1.00 73.33 C ATOM 843 O GLY A 55 12.479 0.155 -4.141 1.00 53.03 O ATOM 0 H GLY A 55 11.920 -3.497 -2.311 1.00 70.02 H new ATOM 0 HA2 GLY A 55 13.760 -2.369 -3.257 1.00 53.45 H new ATOM 0 HA3 GLY A 55 12.945 -2.275 -4.806 1.00 53.45 H new ATOM 847 N ALA A 56 11.635 -0.703 -2.208 1.00 3.21 N ATOM 848 CA ALA A 56 11.070 0.552 -1.686 1.00 44.32 C ATOM 849 C ALA A 56 12.172 1.523 -1.189 1.00 2.54 C ATOM 850 O ALA A 56 12.838 1.250 -0.178 1.00 14.20 O ATOM 851 CB ALA A 56 10.072 0.239 -0.557 1.00 75.12 C ATOM 0 H ALA A 56 11.485 -1.500 -1.590 1.00 3.21 H new ATOM 0 HA ALA A 56 10.550 1.053 -2.502 1.00 44.32 H new ATOM 0 HB1 ALA A 56 9.655 1.169 -0.172 1.00 75.12 H new ATOM 0 HB2 ALA A 56 9.268 -0.386 -0.945 1.00 75.12 H new ATOM 0 HB3 ALA A 56 10.586 -0.288 0.247 1.00 75.12 H new ATOM 857 N ARG A 57 12.343 2.657 -1.907 1.00 2.41 N ATOM 858 CA ARG A 57 13.346 3.697 -1.572 1.00 1.23 C ATOM 859 C ARG A 57 13.120 5.008 -2.376 1.00 53.45 C ATOM 860 O ARG A 57 12.968 6.084 -1.786 1.00 4.24 O ATOM 861 CB ARG A 57 14.789 3.162 -1.831 1.00 34.02 C ATOM 862 CG ARG A 57 15.912 4.204 -1.615 1.00 31.23 C ATOM 863 CD ARG A 57 17.322 3.655 -1.902 1.00 73.20 C ATOM 864 NE ARG A 57 18.333 4.727 -1.889 1.00 43.50 N ATOM 865 CZ ARG A 57 19.635 4.563 -1.831 1.00 14.00 C ATOM 866 NH1 ARG A 57 20.166 3.385 -1.706 1.00 51.51 N ATOM 867 NH2 ARG A 57 20.405 5.599 -1.894 1.00 54.23 N ATOM 0 H ARG A 57 11.790 2.878 -2.735 1.00 2.41 H new ATOM 0 HA ARG A 57 13.226 3.930 -0.514 1.00 1.23 H new ATOM 0 HB2 ARG A 57 14.970 2.311 -1.174 1.00 34.02 H new ATOM 0 HB3 ARG A 57 14.847 2.792 -2.855 1.00 34.02 H new ATOM 0 HG2 ARG A 57 15.728 5.064 -2.259 1.00 31.23 H new ATOM 0 HG3 ARG A 57 15.872 4.561 -0.586 1.00 31.23 H new ATOM 0 HD2 ARG A 57 17.579 2.902 -1.157 1.00 73.20 H new ATOM 0 HD3 ARG A 57 17.329 3.158 -2.872 1.00 73.20 H new ATOM 0 HE ARG A 57 17.989 5.687 -1.929 1.00 43.50 H new ATOM 0 HH11 ARG A 57 19.569 2.560 -1.650 1.00 51.51 H new ATOM 0 HH12 ARG A 57 21.180 3.285 -1.663 1.00 51.51 H new ATOM 0 HH21 ARG A 57 20.000 6.530 -1.988 1.00 54.23 H new ATOM 0 HH22 ARG A 57 21.418 5.485 -1.850 1.00 54.23 H new ATOM 881 N SER A 58 13.099 4.883 -3.723 1.00 21.01 N ATOM 882 CA SER A 58 13.168 6.036 -4.674 1.00 42.20 C ATOM 883 C SER A 58 12.003 7.048 -4.493 1.00 23.21 C ATOM 884 O SER A 58 12.226 8.223 -4.180 1.00 1.25 O ATOM 885 CB SER A 58 13.192 5.511 -6.132 1.00 34.04 C ATOM 886 OG SER A 58 14.288 4.634 -6.353 1.00 62.30 O ATOM 0 H SER A 58 13.034 3.979 -4.191 1.00 21.01 H new ATOM 0 HA SER A 58 14.088 6.576 -4.452 1.00 42.20 H new ATOM 0 HB2 SER A 58 12.259 4.990 -6.347 1.00 34.04 H new ATOM 0 HB3 SER A 58 13.254 6.353 -6.822 1.00 34.04 H new ATOM 0 HG SER A 58 14.273 4.319 -7.281 1.00 62.30 H new ATOM 892 N GLY A 59 10.767 6.574 -4.695 1.00 54.14 N ATOM 893 CA GLY A 59 9.550 7.393 -4.505 1.00 75.04 C ATOM 894 C GLY A 59 8.379 6.540 -4.028 1.00 35.31 C ATOM 895 O GLY A 59 7.207 6.874 -4.223 1.00 45.02 O ATOM 0 H GLY A 59 10.577 5.617 -4.993 1.00 54.14 H new ATOM 0 HA2 GLY A 59 9.749 8.181 -3.779 1.00 75.04 H new ATOM 0 HA3 GLY A 59 9.288 7.883 -5.443 1.00 75.04 H new ATOM 899 N ASP A 60 8.734 5.436 -3.358 1.00 53.04 N ATOM 900 CA ASP A 60 7.804 4.369 -2.942 1.00 4.41 C ATOM 901 C ASP A 60 7.157 4.670 -1.567 1.00 62.15 C ATOM 902 O ASP A 60 6.420 3.853 -1.016 1.00 61.34 O ATOM 903 CB ASP A 60 8.593 3.042 -2.926 1.00 41.11 C ATOM 904 CG ASP A 60 9.390 2.831 -4.234 1.00 72.31 C ATOM 905 OD1 ASP A 60 8.839 2.268 -5.198 1.00 24.43 O ATOM 906 OD2 ASP A 60 10.559 3.279 -4.315 1.00 12.42 O ATOM 0 H ASP A 60 9.699 5.252 -3.082 1.00 53.04 H new ATOM 0 HA ASP A 60 6.975 4.303 -3.647 1.00 4.41 H new ATOM 0 HB2 ASP A 60 9.278 3.037 -2.078 1.00 41.11 H new ATOM 0 HB3 ASP A 60 7.903 2.211 -2.783 1.00 41.11 H new ATOM 911 N ALA A 61 7.468 5.851 -1.028 1.00 74.23 N ATOM 912 CA ALA A 61 6.762 6.445 0.110 1.00 2.34 C ATOM 913 C ALA A 61 5.558 7.259 -0.397 1.00 1.33 C ATOM 914 O ALA A 61 5.500 7.618 -1.583 1.00 31.11 O ATOM 915 CB ALA A 61 7.728 7.347 0.881 1.00 10.10 C ATOM 0 H ALA A 61 8.231 6.432 -1.376 1.00 74.23 H new ATOM 0 HA ALA A 61 6.398 5.660 0.773 1.00 2.34 H new ATOM 0 HB1 ALA A 61 7.210 7.793 1.730 1.00 10.10 H new ATOM 0 HB2 ALA A 61 8.570 6.755 1.240 1.00 10.10 H new ATOM 0 HB3 ALA A 61 8.093 8.136 0.223 1.00 10.10 H new ATOM 921 N GLY A 62 4.594 7.544 0.483 1.00 34.14 N ATOM 922 CA GLY A 62 3.465 8.415 0.134 1.00 44.04 C ATOM 923 C GLY A 62 2.104 7.839 0.490 1.00 53.41 C ATOM 924 O GLY A 62 1.996 6.924 1.308 1.00 32.21 O ATOM 0 H GLY A 62 4.571 7.187 1.438 1.00 34.14 H new ATOM 0 HA2 GLY A 62 3.587 9.371 0.642 1.00 44.04 H new ATOM 0 HA3 GLY A 62 3.493 8.617 -0.937 1.00 44.04 H new ATOM 928 N GLU A 63 1.054 8.381 -0.144 1.00 14.35 N ATOM 929 CA GLU A 63 -0.343 8.057 0.187 1.00 10.21 C ATOM 930 C GLU A 63 -0.899 6.925 -0.701 1.00 73.12 C ATOM 931 O GLU A 63 -0.968 7.052 -1.931 1.00 55.22 O ATOM 932 CB GLU A 63 -1.215 9.324 0.059 1.00 14.54 C ATOM 933 CG GLU A 63 -0.675 10.538 0.849 1.00 3.43 C ATOM 934 CD GLU A 63 -1.552 11.792 0.714 1.00 42.42 C ATOM 935 OE1 GLU A 63 -1.527 12.427 -0.365 1.00 31.04 O ATOM 936 OE2 GLU A 63 -2.266 12.144 1.678 1.00 25.42 O ATOM 0 H GLU A 63 1.149 9.057 -0.902 1.00 14.35 H new ATOM 0 HA GLU A 63 -0.371 7.699 1.216 1.00 10.21 H new ATOM 0 HB2 GLU A 63 -1.294 9.594 -0.994 1.00 14.54 H new ATOM 0 HB3 GLU A 63 -2.223 9.096 0.406 1.00 14.54 H new ATOM 0 HG2 GLU A 63 -0.596 10.271 1.903 1.00 3.43 H new ATOM 0 HG3 GLU A 63 0.332 10.769 0.502 1.00 3.43 H new ATOM 943 N TYR A 64 -1.273 5.813 -0.053 1.00 60.42 N ATOM 944 CA TYR A 64 -1.923 4.653 -0.699 1.00 60.43 C ATOM 945 C TYR A 64 -3.422 4.622 -0.352 1.00 25.04 C ATOM 946 O TYR A 64 -3.835 5.115 0.694 1.00 72.15 O ATOM 947 CB TYR A 64 -1.240 3.333 -0.248 1.00 31.40 C ATOM 948 CG TYR A 64 0.213 3.187 -0.732 1.00 24.20 C ATOM 949 CD1 TYR A 64 1.261 3.886 -0.116 1.00 64.35 C ATOM 950 CD2 TYR A 64 0.534 2.353 -1.806 1.00 52.24 C ATOM 951 CE1 TYR A 64 2.564 3.759 -0.558 1.00 62.35 C ATOM 952 CE2 TYR A 64 1.833 2.230 -2.250 1.00 32.41 C ATOM 953 CZ TYR A 64 2.840 2.924 -1.624 1.00 64.24 C ATOM 954 OH TYR A 64 4.126 2.808 -2.094 1.00 42.43 O ATOM 0 H TYR A 64 -1.133 5.687 0.949 1.00 60.42 H new ATOM 0 HA TYR A 64 -1.816 4.750 -1.779 1.00 60.43 H new ATOM 0 HB2 TYR A 64 -1.257 3.280 0.841 1.00 31.40 H new ATOM 0 HB3 TYR A 64 -1.822 2.489 -0.618 1.00 31.40 H new ATOM 0 HD1 TYR A 64 1.046 4.536 0.719 1.00 64.35 H new ATOM 0 HD2 TYR A 64 -0.250 1.795 -2.297 1.00 52.24 H new ATOM 0 HE1 TYR A 64 3.359 4.307 -0.075 1.00 62.35 H new ATOM 0 HE2 TYR A 64 2.059 1.589 -3.089 1.00 32.41 H new ATOM 0 HH TYR A 64 4.737 3.289 -1.498 1.00 42.43 H new ATOM 964 N LEU A 65 -4.234 4.034 -1.237 1.00 20.13 N ATOM 965 CA LEU A 65 -5.689 3.914 -1.029 1.00 11.35 C ATOM 966 C LEU A 65 -6.140 2.451 -1.239 1.00 62.22 C ATOM 967 O LEU A 65 -6.228 1.970 -2.372 1.00 75.21 O ATOM 968 CB LEU A 65 -6.447 4.889 -1.975 1.00 70.42 C ATOM 969 CG LEU A 65 -8.008 4.882 -1.885 1.00 61.24 C ATOM 970 CD1 LEU A 65 -8.502 5.355 -0.500 1.00 11.31 C ATOM 971 CD2 LEU A 65 -8.636 5.716 -3.027 1.00 40.43 C ATOM 0 H LEU A 65 -3.908 3.629 -2.114 1.00 20.13 H new ATOM 0 HA LEU A 65 -5.930 4.191 -0.003 1.00 11.35 H new ATOM 0 HB2 LEU A 65 -6.099 5.901 -1.770 1.00 70.42 H new ATOM 0 HB3 LEU A 65 -6.164 4.656 -3.002 1.00 70.42 H new ATOM 0 HG LEU A 65 -8.339 3.851 -2.008 1.00 61.24 H new ATOM 0 HD11 LEU A 65 -9.592 5.336 -0.476 1.00 11.31 H new ATOM 0 HD12 LEU A 65 -8.111 4.692 0.272 1.00 11.31 H new ATOM 0 HD13 LEU A 65 -8.152 6.371 -0.317 1.00 11.31 H new ATOM 0 HD21 LEU A 65 -9.722 5.693 -2.939 1.00 40.43 H new ATOM 0 HD22 LEU A 65 -8.288 6.747 -2.959 1.00 40.43 H new ATOM 0 HD23 LEU A 65 -8.341 5.296 -3.989 1.00 40.43 H new ATOM 983 N CYS A 66 -6.367 1.733 -0.126 1.00 30.42 N ATOM 984 CA CYS A 66 -6.992 0.396 -0.146 1.00 44.45 C ATOM 985 C CYS A 66 -8.531 0.572 -0.231 1.00 15.55 C ATOM 986 O CYS A 66 -9.234 0.631 0.787 1.00 52.30 O ATOM 987 CB CYS A 66 -6.572 -0.400 1.111 1.00 52.44 C ATOM 988 SG CYS A 66 -7.110 -2.123 1.126 1.00 15.44 S ATOM 0 H CYS A 66 -6.124 2.059 0.809 1.00 30.42 H new ATOM 0 HA CYS A 66 -6.658 -0.172 -1.015 1.00 44.45 H new ATOM 0 HB2 CYS A 66 -5.486 -0.372 1.196 1.00 52.44 H new ATOM 0 HB3 CYS A 66 -6.974 0.100 1.992 1.00 52.44 H new ATOM 0 HG CYS A 66 -6.704 -2.695 2.220 1.00 15.44 H new ATOM 994 N ASP A 67 -9.026 0.687 -1.473 1.00 24.13 N ATOM 995 CA ASP A 67 -10.418 1.082 -1.787 1.00 61.54 C ATOM 996 C ASP A 67 -11.331 -0.148 -2.012 1.00 50.14 C ATOM 997 O ASP A 67 -11.276 -0.810 -3.052 1.00 75.11 O ATOM 998 CB ASP A 67 -10.397 2.016 -3.028 1.00 51.04 C ATOM 999 CG ASP A 67 -11.781 2.348 -3.622 1.00 70.53 C ATOM 1000 OD1 ASP A 67 -12.620 2.931 -2.906 1.00 35.25 O ATOM 1001 OD2 ASP A 67 -12.024 2.048 -4.817 1.00 63.21 O ATOM 0 H ASP A 67 -8.465 0.506 -2.305 1.00 24.13 H new ATOM 0 HA ASP A 67 -10.841 1.616 -0.936 1.00 61.54 H new ATOM 0 HB2 ASP A 67 -9.904 2.948 -2.753 1.00 51.04 H new ATOM 0 HB3 ASP A 67 -9.789 1.550 -3.803 1.00 51.04 H new ATOM 1006 N ALA A 68 -12.167 -0.445 -1.009 1.00 45.41 N ATOM 1007 CA ALA A 68 -13.165 -1.530 -1.066 1.00 71.53 C ATOM 1008 C ALA A 68 -14.568 -0.972 -1.413 1.00 63.13 C ATOM 1009 O ALA A 68 -14.847 0.197 -1.106 1.00 34.34 O ATOM 1010 CB ALA A 68 -13.178 -2.267 0.276 1.00 64.44 C ATOM 0 H ALA A 68 -12.173 0.064 -0.125 1.00 45.41 H new ATOM 0 HA ALA A 68 -12.894 -2.231 -1.855 1.00 71.53 H new ATOM 0 HB1 ALA A 68 -13.913 -3.071 0.242 1.00 64.44 H new ATOM 0 HB2 ALA A 68 -12.191 -2.686 0.471 1.00 64.44 H new ATOM 0 HB3 ALA A 68 -13.439 -1.569 1.072 1.00 64.44 H new ATOM 1016 N PRO A 69 -15.473 -1.797 -2.053 1.00 15.31 N ATOM 1017 CA PRO A 69 -16.854 -1.360 -2.434 1.00 1.24 C ATOM 1018 C PRO A 69 -17.681 -0.715 -1.280 1.00 32.01 C ATOM 1019 O PRO A 69 -18.441 0.234 -1.507 1.00 64.23 O ATOM 1020 CB PRO A 69 -17.509 -2.680 -2.921 1.00 4.23 C ATOM 1021 CG PRO A 69 -16.364 -3.494 -3.440 1.00 72.54 C ATOM 1022 CD PRO A 69 -15.206 -3.194 -2.515 1.00 22.21 C ATOM 0 HA PRO A 69 -16.821 -0.564 -3.178 1.00 1.24 H new ATOM 0 HB2 PRO A 69 -18.024 -3.192 -2.108 1.00 4.23 H new ATOM 0 HB3 PRO A 69 -18.249 -2.493 -3.699 1.00 4.23 H new ATOM 0 HG2 PRO A 69 -16.604 -4.557 -3.436 1.00 72.54 H new ATOM 0 HG3 PRO A 69 -16.125 -3.225 -4.469 1.00 72.54 H new ATOM 0 HD2 PRO A 69 -15.170 -3.892 -1.679 1.00 22.21 H new ATOM 0 HD3 PRO A 69 -14.250 -3.268 -3.033 1.00 22.21 H new ATOM 1030 N GLN A 70 -17.512 -1.234 -0.045 1.00 63.51 N ATOM 1031 CA GLN A 70 -18.219 -0.712 1.156 1.00 42.55 C ATOM 1032 C GLN A 70 -17.424 0.412 1.887 1.00 14.45 C ATOM 1033 O GLN A 70 -18.038 1.282 2.514 1.00 1.24 O ATOM 1034 CB GLN A 70 -18.524 -1.870 2.147 1.00 4.14 C ATOM 1035 CG GLN A 70 -19.495 -2.954 1.616 1.00 52.53 C ATOM 1036 CD GLN A 70 -20.940 -2.470 1.437 1.00 51.31 C ATOM 1037 OE1 GLN A 70 -21.405 -1.573 2.134 1.00 53.14 O ATOM 1038 NE2 GLN A 70 -21.673 -3.083 0.534 1.00 70.23 N ATOM 0 H GLN A 70 -16.890 -2.018 0.152 1.00 63.51 H new ATOM 0 HA GLN A 70 -19.150 -0.270 0.802 1.00 42.55 H new ATOM 0 HB2 GLN A 70 -17.584 -2.350 2.421 1.00 4.14 H new ATOM 0 HB3 GLN A 70 -18.943 -1.445 3.059 1.00 4.14 H new ATOM 0 HG2 GLN A 70 -19.125 -3.320 0.658 1.00 52.53 H new ATOM 0 HG3 GLN A 70 -19.489 -3.799 2.304 1.00 52.53 H new ATOM 0 HE21 GLN A 70 -21.266 -3.826 -0.034 1.00 70.23 H new ATOM 0 HE22 GLN A 70 -22.648 -2.816 0.402 1.00 70.23 H new ATOM 1047 N ASP A 71 -16.070 0.394 1.803 1.00 23.13 N ATOM 1048 CA ASP A 71 -15.210 1.354 2.553 1.00 4.24 C ATOM 1049 C ASP A 71 -13.810 1.521 1.900 1.00 33.53 C ATOM 1050 O ASP A 71 -13.116 0.540 1.653 1.00 72.44 O ATOM 1051 CB ASP A 71 -15.059 0.881 4.026 1.00 2.43 C ATOM 1052 CG ASP A 71 -14.305 1.890 4.913 1.00 3.13 C ATOM 1053 OD1 ASP A 71 -13.063 1.810 5.015 1.00 24.45 O ATOM 1054 OD2 ASP A 71 -14.956 2.785 5.498 1.00 73.24 O ATOM 0 H ASP A 71 -15.550 -0.269 1.228 1.00 23.13 H new ATOM 0 HA ASP A 71 -15.698 2.328 2.525 1.00 4.24 H new ATOM 0 HB2 ASP A 71 -16.049 0.705 4.448 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -14.531 -0.073 4.042 1.00 2.43 H new ATOM 1059 N SER A 72 -13.399 2.778 1.658 1.00 23.14 N ATOM 1060 CA SER A 72 -12.045 3.119 1.149 1.00 33.52 C ATOM 1061 C SER A 72 -11.115 3.532 2.315 1.00 73.12 C ATOM 1062 O SER A 72 -11.542 4.250 3.230 1.00 12.43 O ATOM 1063 CB SER A 72 -12.142 4.261 0.109 1.00 73.45 C ATOM 1064 OG SER A 72 -12.736 5.433 0.653 1.00 63.34 O ATOM 0 H SER A 72 -13.993 3.593 1.808 1.00 23.14 H new ATOM 0 HA SER A 72 -11.621 2.238 0.667 1.00 33.52 H new ATOM 0 HB2 SER A 72 -11.145 4.499 -0.261 1.00 73.45 H new ATOM 0 HB3 SER A 72 -12.727 3.923 -0.746 1.00 73.45 H new ATOM 0 HG SER A 72 -12.776 6.129 -0.036 1.00 63.34 H new ATOM 1070 N ARG A 73 -9.840 3.094 2.279 1.00 13.14 N ATOM 1071 CA ARG A 73 -8.881 3.317 3.394 1.00 54.13 C ATOM 1072 C ARG A 73 -7.609 4.050 2.890 1.00 41.21 C ATOM 1073 O ARG A 73 -6.931 3.552 1.992 1.00 62.40 O ATOM 1074 CB ARG A 73 -8.503 1.932 4.015 1.00 62.02 C ATOM 1075 CG ARG A 73 -8.058 1.971 5.495 1.00 3.53 C ATOM 1076 CD ARG A 73 -9.214 2.394 6.428 1.00 52.04 C ATOM 1077 NE ARG A 73 -8.881 2.251 7.856 1.00 12.12 N ATOM 1078 CZ ARG A 73 -9.695 2.533 8.853 1.00 22.22 C ATOM 1079 NH1 ARG A 73 -10.846 3.096 8.649 1.00 22.43 N ATOM 1080 NH2 ARG A 73 -9.338 2.270 10.061 1.00 55.05 N ATOM 0 H ARG A 73 -9.445 2.582 1.490 1.00 13.14 H new ATOM 0 HA ARG A 73 -9.347 3.947 4.152 1.00 54.13 H new ATOM 0 HB2 ARG A 73 -9.362 1.267 3.928 1.00 62.02 H new ATOM 0 HB3 ARG A 73 -7.700 1.494 3.423 1.00 62.02 H new ATOM 0 HG2 ARG A 73 -7.693 0.988 5.791 1.00 3.53 H new ATOM 0 HG3 ARG A 73 -7.227 2.667 5.607 1.00 3.53 H new ATOM 0 HD2 ARG A 73 -9.477 3.432 6.224 1.00 52.04 H new ATOM 0 HD3 ARG A 73 -10.094 1.792 6.203 1.00 52.04 H new ATOM 0 HE ARG A 73 -7.950 1.908 8.091 1.00 12.12 H new ATOM 0 HH11 ARG A 73 -11.138 3.330 7.700 1.00 22.43 H new ATOM 0 HH12 ARG A 73 -11.459 3.304 9.437 1.00 22.43 H new ATOM 0 HH21 ARG A 73 -8.429 1.845 10.243 1.00 55.05 H new ATOM 0 HH22 ARG A 73 -9.964 2.486 10.836 1.00 55.05 H new ATOM 1094 N ILE A 74 -7.274 5.215 3.490 1.00 31.21 N ATOM 1095 CA ILE A 74 -6.082 6.021 3.088 1.00 71.32 C ATOM 1096 C ILE A 74 -4.882 5.705 4.025 1.00 44.44 C ATOM 1097 O ILE A 74 -5.060 5.455 5.222 1.00 73.13 O ATOM 1098 CB ILE A 74 -6.346 7.597 3.064 1.00 51.22 C ATOM 1099 CG1 ILE A 74 -7.575 7.991 2.162 1.00 74.23 C ATOM 1100 CG2 ILE A 74 -5.081 8.369 2.585 1.00 44.11 C ATOM 1101 CD1 ILE A 74 -8.945 7.717 2.764 1.00 43.22 C ATOM 0 H ILE A 74 -7.809 5.624 4.256 1.00 31.21 H new ATOM 0 HA ILE A 74 -5.853 5.730 2.063 1.00 71.32 H new ATOM 0 HB ILE A 74 -6.579 7.882 4.090 1.00 51.22 H new ATOM 0 HG12 ILE A 74 -7.506 9.054 1.929 1.00 74.23 H new ATOM 0 HG13 ILE A 74 -7.498 7.452 1.218 1.00 74.23 H new ATOM 0 HG21 ILE A 74 -5.289 9.439 2.578 1.00 44.11 H new ATOM 0 HG22 ILE A 74 -4.252 8.165 3.262 1.00 44.11 H new ATOM 0 HG23 ILE A 74 -4.816 8.044 1.579 1.00 44.11 H new ATOM 0 HD11 ILE A 74 -9.719 8.025 2.061 1.00 43.22 H new ATOM 0 HD12 ILE A 74 -9.045 6.651 2.970 1.00 43.22 H new ATOM 0 HD13 ILE A 74 -9.053 8.278 3.692 1.00 43.22 H new ATOM 1113 N PHE A 75 -3.668 5.701 3.451 1.00 52.34 N ATOM 1114 CA PHE A 75 -2.397 5.426 4.155 1.00 40.54 C ATOM 1115 C PHE A 75 -1.477 6.660 4.091 1.00 44.02 C ATOM 1116 O PHE A 75 -1.410 7.320 3.060 1.00 74.25 O ATOM 1117 CB PHE A 75 -1.669 4.208 3.497 1.00 42.30 C ATOM 1118 CG PHE A 75 -2.285 2.834 3.781 1.00 21.42 C ATOM 1119 CD1 PHE A 75 -3.613 2.555 3.458 1.00 64.54 C ATOM 1120 CD2 PHE A 75 -1.536 1.830 4.402 1.00 4.45 C ATOM 1121 CE1 PHE A 75 -4.166 1.325 3.734 1.00 42.42 C ATOM 1122 CE2 PHE A 75 -2.092 0.602 4.679 1.00 64.31 C ATOM 1123 CZ PHE A 75 -3.407 0.356 4.350 1.00 62.33 C ATOM 0 H PHE A 75 -3.536 5.894 2.458 1.00 52.34 H new ATOM 0 HA PHE A 75 -2.622 5.195 5.196 1.00 40.54 H new ATOM 0 HB2 PHE A 75 -1.648 4.360 2.418 1.00 42.30 H new ATOM 0 HB3 PHE A 75 -0.634 4.199 3.838 1.00 42.30 H new ATOM 0 HD1 PHE A 75 -4.216 3.315 2.984 1.00 64.54 H new ATOM 0 HD2 PHE A 75 -0.507 2.021 4.668 1.00 4.45 H new ATOM 0 HE1 PHE A 75 -5.193 1.121 3.468 1.00 42.42 H new ATOM 0 HE2 PHE A 75 -1.499 -0.166 5.153 1.00 64.31 H new ATOM 0 HZ PHE A 75 -3.846 -0.604 4.577 1.00 62.33 H new ATOM 1133 N LEU A 76 -0.788 6.984 5.201 1.00 63.24 N ATOM 1134 CA LEU A 76 0.358 7.927 5.185 1.00 34.02 C ATOM 1135 C LEU A 76 1.650 7.126 5.438 1.00 4.12 C ATOM 1136 O LEU A 76 1.994 6.820 6.588 1.00 62.23 O ATOM 1137 CB LEU A 76 0.192 9.058 6.240 1.00 2.34 C ATOM 1138 CG LEU A 76 -1.029 10.015 6.056 1.00 73.42 C ATOM 1139 CD1 LEU A 76 -1.019 11.137 7.119 1.00 62.23 C ATOM 1140 CD2 LEU A 76 -1.085 10.603 4.626 1.00 44.22 C ATOM 0 H LEU A 76 -1.002 6.608 6.125 1.00 63.24 H new ATOM 0 HA LEU A 76 0.404 8.415 4.212 1.00 34.02 H new ATOM 0 HB2 LEU A 76 0.117 8.597 7.225 1.00 2.34 H new ATOM 0 HB3 LEU A 76 1.100 9.661 6.238 1.00 2.34 H new ATOM 0 HG LEU A 76 -1.932 9.422 6.199 1.00 73.42 H new ATOM 0 HD11 LEU A 76 -1.879 11.789 6.968 1.00 62.23 H new ATOM 0 HD12 LEU A 76 -1.068 10.696 8.114 1.00 62.23 H new ATOM 0 HD13 LEU A 76 -0.102 11.719 7.025 1.00 62.23 H new ATOM 0 HD21 LEU A 76 -1.948 11.263 4.538 1.00 44.22 H new ATOM 0 HD22 LEU A 76 -0.174 11.168 4.429 1.00 44.22 H new ATOM 0 HD23 LEU A 76 -1.173 9.792 3.903 1.00 44.22 H new ATOM 1152 N VAL A 77 2.323 6.735 4.345 1.00 32.42 N ATOM 1153 CA VAL A 77 3.524 5.874 4.399 1.00 43.12 C ATOM 1154 C VAL A 77 4.825 6.698 4.263 1.00 22.44 C ATOM 1155 O VAL A 77 4.907 7.620 3.446 1.00 31.13 O ATOM 1156 CB VAL A 77 3.469 4.763 3.288 1.00 33.21 C ATOM 1157 CG1 VAL A 77 4.734 3.874 3.301 1.00 75.14 C ATOM 1158 CG2 VAL A 77 2.187 3.903 3.435 1.00 14.10 C ATOM 0 H VAL A 77 2.054 7.004 3.399 1.00 32.42 H new ATOM 0 HA VAL A 77 3.531 5.393 5.377 1.00 43.12 H new ATOM 0 HB VAL A 77 3.438 5.267 2.322 1.00 33.21 H new ATOM 0 HG11 VAL A 77 4.656 3.119 2.518 1.00 75.14 H new ATOM 0 HG12 VAL A 77 5.614 4.491 3.123 1.00 75.14 H new ATOM 0 HG13 VAL A 77 4.824 3.384 4.270 1.00 75.14 H new ATOM 0 HG21 VAL A 77 2.169 3.140 2.656 1.00 14.10 H new ATOM 0 HG22 VAL A 77 2.181 3.423 4.413 1.00 14.10 H new ATOM 0 HG23 VAL A 77 1.308 4.541 3.339 1.00 14.10 H new ATOM 1168 N SER A 78 5.839 6.332 5.067 1.00 62.42 N ATOM 1169 CA SER A 78 7.183 6.942 5.023 1.00 55.25 C ATOM 1170 C SER A 78 8.267 5.851 4.860 1.00 45.22 C ATOM 1171 O SER A 78 8.509 5.069 5.777 1.00 12.45 O ATOM 1172 CB SER A 78 7.431 7.760 6.314 1.00 43.42 C ATOM 1173 OG SER A 78 7.282 6.955 7.483 1.00 64.31 O ATOM 0 H SER A 78 5.750 5.599 5.771 1.00 62.42 H new ATOM 0 HA SER A 78 7.239 7.611 4.164 1.00 55.25 H new ATOM 0 HB2 SER A 78 8.435 8.184 6.289 1.00 43.42 H new ATOM 0 HB3 SER A 78 6.733 8.596 6.356 1.00 43.42 H new ATOM 0 HG SER A 78 8.021 7.136 8.101 1.00 64.31 H new ATOM 1179 N VAL A 79 8.893 5.783 3.672 1.00 54.53 N ATOM 1180 CA VAL A 79 10.058 4.913 3.423 1.00 61.12 C ATOM 1181 C VAL A 79 11.306 5.809 3.278 1.00 15.32 C ATOM 1182 O VAL A 79 11.502 6.435 2.223 1.00 74.41 O ATOM 1183 CB VAL A 79 9.881 4.046 2.115 1.00 41.12 C ATOM 1184 CG1 VAL A 79 11.017 3.007 1.989 1.00 73.14 C ATOM 1185 CG2 VAL A 79 8.490 3.366 2.051 1.00 60.24 C ATOM 0 H VAL A 79 8.607 6.328 2.859 1.00 54.53 H new ATOM 0 HA VAL A 79 10.161 4.223 4.260 1.00 61.12 H new ATOM 0 HB VAL A 79 9.941 4.724 1.264 1.00 41.12 H new ATOM 0 HG11 VAL A 79 10.875 2.421 1.081 1.00 73.14 H new ATOM 0 HG12 VAL A 79 11.977 3.521 1.943 1.00 73.14 H new ATOM 0 HG13 VAL A 79 11.002 2.345 2.854 1.00 73.14 H new ATOM 0 HG21 VAL A 79 8.413 2.780 1.135 1.00 60.24 H new ATOM 0 HG22 VAL A 79 8.366 2.710 2.913 1.00 60.24 H new ATOM 0 HG23 VAL A 79 7.711 4.129 2.061 1.00 60.24 H new ATOM 1195 N GLU A 80 12.149 5.846 4.326 1.00 45.25 N ATOM 1196 CA GLU A 80 13.335 6.745 4.396 1.00 53.11 C ATOM 1197 C GLU A 80 14.088 6.573 5.729 1.00 33.22 C ATOM 1198 O GLU A 80 15.316 6.691 5.775 1.00 51.24 O ATOM 1199 CB GLU A 80 12.952 8.260 4.229 1.00 34.22 C ATOM 1200 CG GLU A 80 11.910 8.782 5.252 1.00 1.42 C ATOM 1201 CD GLU A 80 11.739 10.309 5.251 1.00 63.21 C ATOM 1202 OE1 GLU A 80 11.091 10.845 4.326 1.00 62.34 O ATOM 1203 OE2 GLU A 80 12.246 10.981 6.176 1.00 4.52 O ATOM 0 H GLU A 80 12.035 5.258 5.151 1.00 45.25 H new ATOM 0 HA GLU A 80 13.978 6.454 3.565 1.00 53.11 H new ATOM 0 HB2 GLU A 80 13.857 8.861 4.314 1.00 34.22 H new ATOM 0 HB3 GLU A 80 12.561 8.413 3.223 1.00 34.22 H new ATOM 0 HG2 GLU A 80 10.946 8.319 5.041 1.00 1.42 H new ATOM 0 HG3 GLU A 80 12.205 8.461 6.251 1.00 1.42 H new ATOM 1210 N GLU A 81 13.326 6.304 6.800 1.00 21.34 N ATOM 1211 CA GLU A 81 13.844 6.211 8.175 1.00 3.13 C ATOM 1212 C GLU A 81 14.613 4.873 8.382 1.00 52.44 C ATOM 1213 O GLU A 81 13.989 3.804 8.446 1.00 43.44 O ATOM 1214 CB GLU A 81 12.656 6.375 9.160 1.00 64.33 C ATOM 1215 CG GLU A 81 11.913 7.722 8.998 1.00 71.31 C ATOM 1216 CD GLU A 81 10.637 7.840 9.848 1.00 11.31 C ATOM 1217 OE1 GLU A 81 10.726 8.237 11.029 1.00 50.32 O ATOM 1218 OE2 GLU A 81 9.539 7.534 9.337 1.00 20.30 O ATOM 0 H GLU A 81 12.321 6.143 6.736 1.00 21.34 H new ATOM 0 HA GLU A 81 14.563 7.007 8.367 1.00 3.13 H new ATOM 0 HB2 GLU A 81 11.951 5.558 9.008 1.00 64.33 H new ATOM 0 HB3 GLU A 81 13.025 6.292 10.182 1.00 64.33 H new ATOM 0 HG2 GLU A 81 12.591 8.533 9.264 1.00 71.31 H new ATOM 0 HG3 GLU A 81 11.652 7.857 7.948 1.00 71.31 H new ATOM 1225 N PRO A 82 15.990 4.914 8.456 1.00 44.24 N ATOM 1226 CA PRO A 82 16.845 3.699 8.410 1.00 22.04 C ATOM 1227 C PRO A 82 16.879 2.904 9.762 1.00 74.12 C ATOM 1228 O PRO A 82 16.324 1.785 9.828 1.00 39.11 O ATOM 1229 CB PRO A 82 18.257 4.261 8.028 1.00 23.14 C ATOM 1230 CG PRO A 82 18.065 5.743 7.818 1.00 74.43 C ATOM 1231 CD PRO A 82 16.835 6.121 8.608 1.00 61.51 C ATOM 1232 OXT PRO A 82 17.461 3.406 10.758 1.00 39.11 O ATOM 0 HA PRO A 82 16.464 2.966 7.699 1.00 22.04 H new ATOM 0 HB2 PRO A 82 18.982 4.069 8.819 1.00 23.14 H new ATOM 0 HB3 PRO A 82 18.637 3.784 7.125 1.00 23.14 H new ATOM 0 HG2 PRO A 82 18.936 6.301 8.161 1.00 74.43 H new ATOM 0 HG3 PRO A 82 17.935 5.973 6.761 1.00 74.43 H new ATOM 0 HD2 PRO A 82 17.068 6.327 9.653 1.00 61.51 H new ATOM 0 HD3 PRO A 82 16.350 7.012 8.208 1.00 61.51 H new TER 1240 PRO A 82