USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 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 42 LYS NZ :NH3+ 160:sc= 0.607 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -2.36 K(o=-1.8,f=-6.8!) USER MOD Set 2.1: A 85 TYR OH : rot -70:sc= 1.37 USER MOD Set 2.2: A 93 TYR OH : rot 90:sc= 0.994 USER MOD Set 3.1: A 59 SER OG : rot 60:sc= 0.334 USER MOD Set 3.2: A 80 GLN : amide:sc= 0 X(o=0.33,f=0.14) USER MOD Set 4.1: A 46 LYS NZ :NH3+ 167:sc= 0.255 (180deg=0) USER MOD Set 4.2: A 48 ASN : amide:sc= -2.28 K(o=-2,f=-7!) USER MOD Set 5.1: A 40 GLN : amide:sc= 0.517 K(o=0.61,f=-3.2!) USER MOD Set 5.2: A 75 TYR OH : rot 58:sc= 0.0898 USER MOD Set 6.1: A 37 TYR OH : rot 180:sc= -0.348 USER MOD Set 6.2: A 39 TYR OH : rot 180:sc= -0.0087 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 36 TYR OH : rot 171:sc= 0.8 USER MOD Single : A 38 MET CE :methyl 165:sc= -3.89 (180deg=-4.17!) USER MOD Single : A 47 THR OG1 : rot -79:sc= -0.0268 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 57 SER OG : rot -60:sc= 0.745 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 76 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.13) USER MOD Single : A 77 HIS : no HD1:sc= -0.769 K(o=-0.77,f=-0.14) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= -0.105 (180deg=-0.536) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 165:sc= -0.293 USER MOD Single : A 102 SER OG : rot -89:sc= 0.368 USER MOD Single : A 108 CYS SG : rot 40:sc= -0.0313 USER MOD Single : A 109 TYR OH : rot -28:sc= 0.143 USER MOD Single : A 114 THR OG1 : rot -170:sc= -0.0041 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc=0.000106 USER MOD Single : A 124 TYR OH : rot 100:sc= -0.728 USER MOD Single : A 125 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.25) USER MOD Single : A 127 GLN : amide:sc= -0.0125 K(o=-0.013,f=-1.3) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0711 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -7.737 7.751 5.764 1.00 22.15 N ATOM 84 CA ASP A 7 -8.458 6.738 6.526 1.00 20.32 C ATOM 85 C ASP A 7 -9.128 5.733 5.595 1.00 73.52 C ATOM 86 O ASP A 7 -9.953 4.925 6.025 1.00 22.14 O ATOM 87 CB ASP A 7 -9.505 7.395 7.426 1.00 14.12 C ATOM 88 CG ASP A 7 -10.795 7.698 6.688 1.00 23.24 C ATOM 89 OD1 ASP A 7 -10.722 8.104 5.510 1.00 51.10 O ATOM 90 OD2 ASP A 7 -11.876 7.529 7.290 1.00 55.33 O ATOM 0 HA ASP A 7 -7.738 6.206 7.148 1.00 20.32 H new ATOM 0 HB2 ASP A 7 -9.718 6.739 8.270 1.00 14.12 H new ATOM 0 HB3 ASP A 7 -9.099 8.320 7.836 1.00 14.12 H new ATOM 95 N LEU A 8 -8.770 5.788 4.317 1.00 53.02 N ATOM 96 CA LEU A 8 -9.338 4.883 3.323 1.00 1.02 C ATOM 97 C LEU A 8 -8.876 3.450 3.566 1.00 74.42 C ATOM 98 O LEU A 8 -9.473 2.499 3.057 1.00 10.44 O ATOM 99 CB LEU A 8 -8.941 5.327 1.914 1.00 0.23 C ATOM 100 CG LEU A 8 -10.062 5.912 1.054 1.00 21.12 C ATOM 101 CD1 LEU A 8 -11.169 4.889 0.853 1.00 13.22 C ATOM 102 CD2 LEU A 8 -10.614 7.181 1.688 1.00 63.34 C ATOM 0 H LEU A 8 -8.089 6.450 3.944 1.00 53.02 H new ATOM 0 HA LEU A 8 -10.424 4.916 3.415 1.00 1.02 H new ATOM 0 HB2 LEU A 8 -8.149 6.071 1.999 1.00 0.23 H new ATOM 0 HB3 LEU A 8 -8.518 4.470 1.390 1.00 0.23 H new ATOM 0 HG LEU A 8 -9.650 6.167 0.078 1.00 21.12 H new ATOM 0 HD11 LEU A 8 -11.958 5.323 0.239 1.00 13.22 H new ATOM 0 HD12 LEU A 8 -10.764 4.008 0.355 1.00 13.22 H new ATOM 0 HD13 LEU A 8 -11.579 4.602 1.821 1.00 13.22 H new ATOM 0 HD21 LEU A 8 -11.411 7.583 1.062 1.00 63.34 H new ATOM 0 HD22 LEU A 8 -11.010 6.951 2.677 1.00 63.34 H new ATOM 0 HD23 LEU A 8 -9.817 7.919 1.779 1.00 63.34 H new ATOM 114 N LEU A 9 -7.812 3.300 4.347 1.00 53.51 N ATOM 115 CA LEU A 9 -7.271 1.982 4.660 1.00 55.24 C ATOM 116 C LEU A 9 -7.558 1.606 6.110 1.00 73.13 C ATOM 117 O LEU A 9 -7.812 2.460 6.960 1.00 71.42 O ATOM 118 CB LEU A 9 -5.764 1.953 4.402 1.00 41.51 C ATOM 119 CG LEU A 9 -5.025 3.278 4.593 1.00 1.43 C ATOM 120 CD1 LEU A 9 -5.149 3.756 6.032 1.00 61.21 C ATOM 121 CD2 LEU A 9 -3.562 3.134 4.202 1.00 45.25 C ATOM 0 H LEU A 9 -7.306 4.075 4.775 1.00 53.51 H new ATOM 0 HA LEU A 9 -7.758 1.253 4.012 1.00 55.24 H new ATOM 0 HB2 LEU A 9 -5.316 1.212 5.064 1.00 41.51 H new ATOM 0 HB3 LEU A 9 -5.597 1.611 3.381 1.00 41.51 H new ATOM 0 HG LEU A 9 -5.483 4.024 3.943 1.00 1.43 H new ATOM 0 HD11 LEU A 9 -4.617 4.700 6.149 1.00 61.21 H new ATOM 0 HD12 LEU A 9 -6.201 3.899 6.278 1.00 61.21 H new ATOM 0 HD13 LEU A 9 -4.718 3.011 6.701 1.00 61.21 H new ATOM 0 HD21 LEU A 9 -3.052 4.087 4.344 1.00 45.25 H new ATOM 0 HD22 LEU A 9 -3.092 2.374 4.826 1.00 45.25 H new ATOM 0 HD23 LEU A 9 -3.493 2.838 3.155 1.00 45.25 H new ATOM 133 N PRO A 10 -7.515 0.297 6.401 1.00 13.44 N ATOM 134 CA PRO A 10 -7.765 -0.222 7.749 1.00 11.23 C ATOM 135 C PRO A 10 -6.646 0.132 8.723 1.00 15.03 C ATOM 136 O PRO A 10 -5.506 0.382 8.332 1.00 11.12 O ATOM 137 CB PRO A 10 -7.832 -1.737 7.539 1.00 1.42 C ATOM 138 CG PRO A 10 -7.026 -1.985 6.311 1.00 3.33 C ATOM 139 CD PRO A 10 -7.219 -0.776 5.438 1.00 71.02 C ATOM 0 HA PRO A 10 -8.668 0.202 8.188 1.00 11.23 H new ATOM 0 HB2 PRO A 10 -7.424 -2.274 8.395 1.00 1.42 H new ATOM 0 HB3 PRO A 10 -8.861 -2.074 7.412 1.00 1.42 H new ATOM 0 HG2 PRO A 10 -5.973 -2.125 6.557 1.00 3.33 H new ATOM 0 HG3 PRO A 10 -7.358 -2.890 5.803 1.00 3.33 H new ATOM 0 HD2 PRO A 10 -6.326 -0.556 4.853 1.00 71.02 H new ATOM 0 HD3 PRO A 10 -8.036 -0.918 4.731 1.00 71.02 H new ATOM 147 N PRO A 11 -6.977 0.154 10.023 1.00 33.10 N ATOM 148 CA PRO A 11 -6.013 0.475 11.080 1.00 75.11 C ATOM 149 C PRO A 11 -4.968 -0.620 11.264 1.00 74.25 C ATOM 150 O PRO A 11 -4.004 -0.451 12.009 1.00 35.24 O ATOM 151 CB PRO A 11 -6.887 0.596 12.331 1.00 4.23 C ATOM 152 CG PRO A 11 -8.082 -0.244 12.042 1.00 71.40 C ATOM 153 CD PRO A 11 -8.318 -0.134 10.561 1.00 45.31 C ATOM 0 HA PRO A 11 -5.443 1.376 10.852 1.00 75.11 H new ATOM 0 HB2 PRO A 11 -6.360 0.243 13.217 1.00 4.23 H new ATOM 0 HB3 PRO A 11 -7.168 1.632 12.519 1.00 4.23 H new ATOM 0 HG2 PRO A 11 -7.910 -1.280 12.334 1.00 71.40 H new ATOM 0 HG3 PRO A 11 -8.949 0.105 12.602 1.00 71.40 H new ATOM 0 HD2 PRO A 11 -8.727 -1.057 10.149 1.00 45.31 H new ATOM 0 HD3 PRO A 11 -9.025 0.661 10.325 1.00 45.31 H new ATOM 161 N GLU A 12 -5.166 -1.742 10.578 1.00 14.12 N ATOM 162 CA GLU A 12 -4.240 -2.864 10.667 1.00 30.54 C ATOM 163 C GLU A 12 -2.991 -2.607 9.829 1.00 72.21 C ATOM 164 O GLU A 12 -1.879 -2.955 10.227 1.00 33.00 O ATOM 165 CB GLU A 12 -4.921 -4.154 10.205 1.00 30.44 C ATOM 166 CG GLU A 12 -5.544 -4.053 8.823 1.00 5.21 C ATOM 167 CD GLU A 12 -4.784 -4.851 7.781 1.00 10.21 C ATOM 168 OE1 GLU A 12 -4.283 -5.943 8.121 1.00 60.34 O ATOM 169 OE2 GLU A 12 -4.690 -4.383 6.627 1.00 33.31 O ATOM 0 H GLU A 12 -5.959 -1.897 9.955 1.00 14.12 H new ATOM 0 HA GLU A 12 -3.941 -2.973 11.709 1.00 30.54 H new ATOM 0 HB2 GLU A 12 -4.189 -4.962 10.206 1.00 30.44 H new ATOM 0 HB3 GLU A 12 -5.694 -4.424 10.924 1.00 30.44 H new ATOM 0 HG2 GLU A 12 -6.574 -4.407 8.866 1.00 5.21 H new ATOM 0 HG3 GLU A 12 -5.579 -3.007 8.520 1.00 5.21 H new ATOM 176 N LYS A 13 -3.183 -1.996 8.665 1.00 50.01 N ATOM 177 CA LYS A 13 -2.074 -1.690 7.769 1.00 72.43 C ATOM 178 C LYS A 13 -1.710 -0.211 7.839 1.00 4.01 C ATOM 179 O LYS A 13 -0.742 0.230 7.219 1.00 32.40 O ATOM 180 CB LYS A 13 -2.434 -2.070 6.331 1.00 73.04 C ATOM 181 CG LYS A 13 -3.469 -1.154 5.701 1.00 52.03 C ATOM 182 CD LYS A 13 -2.825 -0.147 4.762 1.00 74.41 C ATOM 183 CE LYS A 13 -2.218 -0.829 3.545 1.00 33.13 C ATOM 184 NZ LYS A 13 -0.777 -0.493 3.383 1.00 42.43 N ATOM 0 H LYS A 13 -4.097 -1.703 8.320 1.00 50.01 H new ATOM 0 HA LYS A 13 -1.210 -2.274 8.088 1.00 72.43 H new ATOM 0 HB2 LYS A 13 -1.530 -2.055 5.723 1.00 73.04 H new ATOM 0 HB3 LYS A 13 -2.810 -3.093 6.318 1.00 73.04 H new ATOM 0 HG2 LYS A 13 -4.198 -1.750 5.152 1.00 52.03 H new ATOM 0 HG3 LYS A 13 -4.014 -0.626 6.484 1.00 52.03 H new ATOM 0 HD2 LYS A 13 -3.571 0.580 4.439 1.00 74.41 H new ATOM 0 HD3 LYS A 13 -2.051 0.406 5.295 1.00 74.41 H new ATOM 0 HE2 LYS A 13 -2.331 -1.909 3.640 1.00 33.13 H new ATOM 0 HE3 LYS A 13 -2.764 -0.529 2.650 1.00 33.13 H new ATOM 0 HZ1 LYS A 13 -0.400 -0.977 2.543 1.00 42.43 H new ATOM 0 HZ2 LYS A 13 -0.671 0.535 3.267 1.00 42.43 H new ATOM 0 HZ3 LYS A 13 -0.252 -0.802 4.226 1.00 42.43 H new ATOM 198 N ALA A 14 -2.490 0.551 8.599 1.00 25.53 N ATOM 199 CA ALA A 14 -2.246 1.979 8.753 1.00 11.42 C ATOM 200 C ALA A 14 -1.030 2.237 9.636 1.00 0.15 C ATOM 201 O ALA A 14 -0.424 3.307 9.579 1.00 13.53 O ATOM 202 CB ALA A 14 -3.475 2.665 9.331 1.00 13.01 C ATOM 0 H ALA A 14 -3.296 0.203 9.118 1.00 25.53 H new ATOM 0 HA ALA A 14 -2.041 2.395 7.767 1.00 11.42 H new ATOM 0 HB1 ALA A 14 -3.279 3.732 9.441 1.00 13.01 H new ATOM 0 HB2 ALA A 14 -4.322 2.519 8.661 1.00 13.01 H new ATOM 0 HB3 ALA A 14 -3.706 2.236 10.306 1.00 13.01 H new ATOM 208 N PHE A 15 -0.678 1.250 10.453 1.00 30.25 N ATOM 209 CA PHE A 15 0.465 1.371 11.350 1.00 23.35 C ATOM 210 C PHE A 15 1.521 0.316 11.032 1.00 74.42 C ATOM 211 O PHE A 15 1.207 -0.865 10.876 1.00 44.30 O ATOM 212 CB PHE A 15 0.015 1.234 12.806 1.00 11.34 C ATOM 213 CG PHE A 15 -1.264 1.961 13.109 1.00 53.03 C ATOM 214 CD1 PHE A 15 -1.374 3.323 12.877 1.00 32.25 C ATOM 215 CD2 PHE A 15 -2.357 1.282 13.624 1.00 51.54 C ATOM 216 CE1 PHE A 15 -2.550 3.994 13.156 1.00 61.14 C ATOM 217 CE2 PHE A 15 -3.536 1.948 13.903 1.00 3.33 C ATOM 218 CZ PHE A 15 -3.632 3.306 13.668 1.00 74.31 C ATOM 0 H PHE A 15 -1.168 0.357 10.512 1.00 30.25 H new ATOM 0 HA PHE A 15 0.906 2.357 11.204 1.00 23.35 H new ATOM 0 HB2 PHE A 15 -0.113 0.177 13.041 1.00 11.34 H new ATOM 0 HB3 PHE A 15 0.802 1.612 13.458 1.00 11.34 H new ATOM 0 HD1 PHE A 15 -0.532 3.866 12.474 1.00 32.25 H new ATOM 0 HD2 PHE A 15 -2.287 0.220 13.810 1.00 51.54 H new ATOM 0 HE1 PHE A 15 -2.622 5.056 12.974 1.00 61.14 H new ATOM 0 HE2 PHE A 15 -4.381 1.407 14.304 1.00 3.33 H new ATOM 0 HZ PHE A 15 -4.552 3.829 13.884 1.00 74.31 H new ATOM 228 N VAL A 16 2.773 0.750 10.936 1.00 42.13 N ATOM 229 CA VAL A 16 3.876 -0.156 10.636 1.00 13.42 C ATOM 230 C VAL A 16 4.906 -0.157 11.759 1.00 24.15 C ATOM 231 O VAL A 16 5.923 0.535 11.704 1.00 51.32 O ATOM 232 CB VAL A 16 4.572 0.225 9.316 1.00 31.00 C ATOM 233 CG1 VAL A 16 5.567 -0.850 8.908 1.00 64.21 C ATOM 234 CG2 VAL A 16 3.543 0.455 8.219 1.00 45.01 C ATOM 0 H VAL A 16 3.050 1.724 11.062 1.00 42.13 H new ATOM 0 HA VAL A 16 3.449 -1.154 10.538 1.00 13.42 H new ATOM 0 HB VAL A 16 5.120 1.155 9.469 1.00 31.00 H new ATOM 0 HG11 VAL A 16 6.049 -0.564 7.973 1.00 64.21 H new ATOM 0 HG12 VAL A 16 6.322 -0.961 9.686 1.00 64.21 H new ATOM 0 HG13 VAL A 16 5.044 -1.797 8.772 1.00 64.21 H new ATOM 0 HG21 VAL A 16 4.052 0.723 7.293 1.00 45.01 H new ATOM 0 HG22 VAL A 16 2.966 -0.457 8.065 1.00 45.01 H new ATOM 0 HG23 VAL A 16 2.873 1.263 8.512 1.00 45.01 H new ATOM 244 N PRO A 17 4.641 -0.954 12.805 1.00 14.23 N ATOM 245 CA PRO A 17 5.534 -1.066 13.962 1.00 11.12 C ATOM 246 C PRO A 17 6.836 -1.783 13.622 1.00 50.31 C ATOM 247 O PRO A 17 6.836 -2.774 12.893 1.00 25.21 O ATOM 248 CB PRO A 17 4.717 -1.887 14.963 1.00 70.22 C ATOM 249 CG PRO A 17 3.771 -2.675 14.124 1.00 52.44 C ATOM 250 CD PRO A 17 3.448 -1.807 12.939 1.00 52.13 C ATOM 0 HA PRO A 17 5.838 -0.089 14.338 1.00 11.12 H new ATOM 0 HB2 PRO A 17 5.358 -2.539 15.556 1.00 70.22 H new ATOM 0 HB3 PRO A 17 4.184 -1.242 15.662 1.00 70.22 H new ATOM 0 HG2 PRO A 17 4.221 -3.616 13.808 1.00 52.44 H new ATOM 0 HG3 PRO A 17 2.869 -2.925 14.682 1.00 52.44 H new ATOM 0 HD2 PRO A 17 3.276 -2.401 12.041 1.00 52.13 H new ATOM 0 HD3 PRO A 17 2.548 -1.216 13.108 1.00 52.13 H new ATOM 258 N GLU A 18 7.943 -1.275 14.155 1.00 52.52 N ATOM 259 CA GLU A 18 9.252 -1.868 13.906 1.00 15.41 C ATOM 260 C GLU A 18 10.102 -1.860 15.173 1.00 10.01 C ATOM 261 O GLU A 18 10.151 -0.864 15.896 1.00 54.20 O ATOM 262 CB GLU A 18 9.974 -1.112 12.789 1.00 64.21 C ATOM 263 CG GLU A 18 11.348 -1.674 12.464 1.00 23.33 C ATOM 264 CD GLU A 18 12.471 -0.869 13.089 1.00 13.42 C ATOM 265 OE1 GLU A 18 12.627 -0.931 14.327 1.00 62.33 O ATOM 266 OE2 GLU A 18 13.192 -0.176 12.342 1.00 50.13 O ATOM 0 H GLU A 18 7.960 -0.455 14.761 1.00 52.52 H new ATOM 0 HA GLU A 18 9.102 -2.902 13.597 1.00 15.41 H new ATOM 0 HB2 GLU A 18 9.359 -1.135 11.889 1.00 64.21 H new ATOM 0 HB3 GLU A 18 10.077 -0.066 13.077 1.00 64.21 H new ATOM 0 HG2 GLU A 18 11.407 -2.705 12.814 1.00 23.33 H new ATOM 0 HG3 GLU A 18 11.481 -1.696 11.382 1.00 23.33 H new ATOM 273 N LEU A 19 10.770 -2.977 15.436 1.00 24.34 N ATOM 274 CA LEU A 19 11.619 -3.101 16.616 1.00 22.14 C ATOM 275 C LEU A 19 13.093 -3.147 16.225 1.00 73.41 C ATOM 276 O LEU A 19 13.448 -3.663 15.165 1.00 14.14 O ATOM 277 CB LEU A 19 11.250 -4.359 17.405 1.00 14.41 C ATOM 278 CG LEU A 19 11.023 -4.168 18.905 1.00 13.52 C ATOM 279 CD1 LEU A 19 12.334 -3.851 19.607 1.00 11.23 C ATOM 280 CD2 LEU A 19 10.003 -3.066 19.154 1.00 34.12 C ATOM 0 H LEU A 19 10.741 -3.810 14.848 1.00 24.34 H new ATOM 0 HA LEU A 19 11.456 -2.225 17.243 1.00 22.14 H new ATOM 0 HB2 LEU A 19 10.344 -4.783 16.972 1.00 14.41 H new ATOM 0 HB3 LEU A 19 12.043 -5.095 17.269 1.00 14.41 H new ATOM 0 HG LEU A 19 10.631 -5.099 19.315 1.00 13.52 H new ATOM 0 HD11 LEU A 19 12.153 -3.718 20.674 1.00 11.23 H new ATOM 0 HD12 LEU A 19 13.035 -4.672 19.457 1.00 11.23 H new ATOM 0 HD13 LEU A 19 12.756 -2.935 19.194 1.00 11.23 H new ATOM 0 HD21 LEU A 19 9.854 -2.944 20.227 1.00 34.12 H new ATOM 0 HD22 LEU A 19 10.367 -2.130 18.729 1.00 34.12 H new ATOM 0 HD23 LEU A 19 9.056 -3.333 18.684 1.00 34.12 H new ATOM 292 N ALA A 20 13.946 -2.607 17.088 1.00 3.22 N ATOM 293 CA ALA A 20 15.382 -2.590 16.835 1.00 74.33 C ATOM 294 C ALA A 20 16.170 -2.648 18.139 1.00 61.24 C ATOM 295 O ALA A 20 16.254 -1.661 18.870 1.00 60.25 O ATOM 296 CB ALA A 20 15.763 -1.350 16.040 1.00 72.23 C ATOM 0 H ALA A 20 13.668 -2.175 17.969 1.00 3.22 H new ATOM 0 HA ALA A 20 15.633 -3.475 16.250 1.00 74.33 H new ATOM 0 HB1 ALA A 20 16.838 -1.350 15.858 1.00 72.23 H new ATOM 0 HB2 ALA A 20 15.234 -1.352 15.087 1.00 72.23 H new ATOM 0 HB3 ALA A 20 15.491 -0.458 16.604 1.00 72.23 H new ATOM 302 N VAL A 21 16.746 -3.811 18.425 1.00 25.31 N ATOM 303 CA VAL A 21 17.529 -3.998 19.641 1.00 11.22 C ATOM 304 C VAL A 21 18.937 -3.436 19.480 1.00 10.03 C ATOM 305 O VAL A 21 19.576 -3.622 18.445 1.00 53.51 O ATOM 306 CB VAL A 21 17.623 -5.486 20.025 1.00 33.45 C ATOM 307 CG1 VAL A 21 18.563 -5.675 21.206 1.00 12.12 C ATOM 308 CG2 VAL A 21 16.242 -6.043 20.338 1.00 22.53 C ATOM 0 H VAL A 21 16.685 -4.638 17.831 1.00 25.31 H new ATOM 0 HA VAL A 21 17.014 -3.458 20.435 1.00 11.22 H new ATOM 0 HB VAL A 21 18.029 -6.037 19.177 1.00 33.45 H new ATOM 0 HG11 VAL A 21 18.616 -6.733 21.463 1.00 12.12 H new ATOM 0 HG12 VAL A 21 19.557 -5.315 20.941 1.00 12.12 H new ATOM 0 HG13 VAL A 21 18.190 -5.112 22.062 1.00 12.12 H new ATOM 0 HG21 VAL A 21 16.327 -7.096 20.607 1.00 22.53 H new ATOM 0 HG22 VAL A 21 15.806 -5.489 21.170 1.00 22.53 H new ATOM 0 HG23 VAL A 21 15.602 -5.943 19.461 1.00 22.53 H new ATOM 318 N ALA A 22 19.415 -2.748 20.512 1.00 23.52 N ATOM 319 CA ALA A 22 20.749 -2.162 20.487 1.00 42.53 C ATOM 320 C ALA A 22 21.589 -2.655 21.660 1.00 13.13 C ATOM 321 O ALA A 22 21.142 -3.489 22.448 1.00 12.53 O ATOM 322 CB ALA A 22 20.658 -0.643 20.502 1.00 10.21 C ATOM 0 H ALA A 22 18.898 -2.583 21.376 1.00 23.52 H new ATOM 0 HA ALA A 22 21.240 -2.477 19.566 1.00 42.53 H new ATOM 0 HB1 ALA A 22 21.662 -0.218 20.483 1.00 10.21 H new ATOM 0 HB2 ALA A 22 20.104 -0.303 19.627 1.00 10.21 H new ATOM 0 HB3 ALA A 22 20.144 -0.318 21.406 1.00 10.21 H new ATOM 328 N ASP A 23 22.806 -2.136 21.770 1.00 4.40 N ATOM 329 CA ASP A 23 23.709 -2.523 22.848 1.00 34.32 C ATOM 330 C ASP A 23 23.524 -1.619 24.063 1.00 74.20 C ATOM 331 O ASP A 23 23.915 -1.971 25.176 1.00 11.21 O ATOM 332 CB ASP A 23 25.161 -2.467 22.372 1.00 71.33 C ATOM 333 CG ASP A 23 26.046 -3.465 23.093 1.00 74.23 C ATOM 334 OD1 ASP A 23 25.997 -4.663 22.743 1.00 60.25 O ATOM 335 OD2 ASP A 23 26.787 -3.048 24.006 1.00 22.25 O ATOM 0 H ASP A 23 23.191 -1.445 21.125 1.00 4.40 H new ATOM 0 HA ASP A 23 23.470 -3.546 23.139 1.00 34.32 H new ATOM 0 HB2 ASP A 23 25.197 -2.662 21.300 1.00 71.33 H new ATOM 0 HB3 ASP A 23 25.552 -1.461 22.526 1.00 71.33 H new ATOM 340 N ASP A 24 22.926 -0.454 23.841 1.00 2.30 N ATOM 341 CA ASP A 24 22.689 0.501 24.917 1.00 3.34 C ATOM 342 C ASP A 24 21.195 0.686 25.160 1.00 14.34 C ATOM 343 O ASP A 24 20.775 1.645 25.807 1.00 75.01 O ATOM 344 CB ASP A 24 23.335 1.847 24.585 1.00 0.30 C ATOM 345 CG ASP A 24 24.744 1.965 25.133 1.00 73.41 C ATOM 346 OD1 ASP A 24 24.992 1.452 26.244 1.00 64.11 O ATOM 347 OD2 ASP A 24 25.597 2.570 24.451 1.00 25.10 O ATOM 0 H ASP A 24 22.596 -0.148 22.925 1.00 2.30 H new ATOM 0 HA ASP A 24 23.140 0.105 25.827 1.00 3.34 H new ATOM 0 HB2 ASP A 24 23.357 1.979 23.503 1.00 0.30 H new ATOM 0 HB3 ASP A 24 22.722 2.651 24.992 1.00 0.30 H new ATOM 352 N GLY A 25 20.396 -0.239 24.636 1.00 12.53 N ATOM 353 CA GLY A 25 18.957 -0.158 24.806 1.00 32.42 C ATOM 354 C GLY A 25 18.201 -0.664 23.594 1.00 72.33 C ATOM 355 O GLY A 25 18.791 -1.244 22.682 1.00 22.12 O ATOM 0 H GLY A 25 20.720 -1.042 24.097 1.00 12.53 H new ATOM 0 HA2 GLY A 25 18.664 -0.738 25.681 1.00 32.42 H new ATOM 0 HA3 GLY A 25 18.675 0.877 25.001 1.00 32.42 H new ATOM 359 N VAL A 26 16.890 -0.446 23.582 1.00 35.34 N ATOM 360 CA VAL A 26 16.051 -0.885 22.473 1.00 42.31 C ATOM 361 C VAL A 26 15.309 0.291 21.847 1.00 30.31 C ATOM 362 O VAL A 26 14.818 1.173 22.550 1.00 61.10 O ATOM 363 CB VAL A 26 15.027 -1.942 22.927 1.00 51.40 C ATOM 364 CG1 VAL A 26 14.321 -2.552 21.726 1.00 65.42 C ATOM 365 CG2 VAL A 26 15.706 -3.017 23.761 1.00 60.52 C ATOM 0 H VAL A 26 16.385 0.032 24.328 1.00 35.34 H new ATOM 0 HA VAL A 26 16.714 -1.329 21.731 1.00 42.31 H new ATOM 0 HB VAL A 26 14.277 -1.453 23.548 1.00 51.40 H new ATOM 0 HG11 VAL A 26 13.601 -3.297 22.066 1.00 65.42 H new ATOM 0 HG12 VAL A 26 13.800 -1.770 21.174 1.00 65.42 H new ATOM 0 HG13 VAL A 26 15.055 -3.028 21.075 1.00 65.42 H new ATOM 0 HG21 VAL A 26 14.968 -3.756 24.073 1.00 60.52 H new ATOM 0 HG22 VAL A 26 16.478 -3.505 23.167 1.00 60.52 H new ATOM 0 HG23 VAL A 26 16.159 -2.562 24.642 1.00 60.52 H new ATOM 375 N ASN A 27 15.231 0.295 20.520 1.00 14.23 N ATOM 376 CA ASN A 27 14.548 1.363 19.799 1.00 72.13 C ATOM 377 C ASN A 27 13.372 0.812 18.997 1.00 1.32 C ATOM 378 O ASN A 27 13.515 -0.157 18.251 1.00 13.33 O ATOM 379 CB ASN A 27 15.524 2.081 18.865 1.00 2.10 C ATOM 380 CG ASN A 27 15.889 3.466 19.364 1.00 14.01 C ATOM 381 OD1 ASN A 27 17.042 3.733 19.701 1.00 43.03 O ATOM 382 ND2 ASN A 27 14.903 4.355 19.414 1.00 23.12 N ATOM 0 H ASN A 27 15.632 -0.428 19.923 1.00 14.23 H new ATOM 0 HA ASN A 27 14.165 2.075 20.531 1.00 72.13 H new ATOM 0 HB2 ASN A 27 16.430 1.484 18.763 1.00 2.10 H new ATOM 0 HB3 ASN A 27 15.081 2.161 17.872 1.00 2.10 H new ATOM 0 HD21 ASN A 27 15.087 5.303 19.742 1.00 23.12 H new ATOM 0 HD22 ASN A 27 13.962 4.089 19.124 1.00 23.12 H new ATOM 389 N VAL A 28 12.210 1.438 19.156 1.00 30.33 N ATOM 390 CA VAL A 28 11.009 1.012 18.447 1.00 44.23 C ATOM 391 C VAL A 28 10.376 2.175 17.691 1.00 3.12 C ATOM 392 O VAL A 28 10.106 3.229 18.267 1.00 34.02 O ATOM 393 CB VAL A 28 9.969 0.414 19.412 1.00 11.43 C ATOM 394 CG1 VAL A 28 9.517 1.457 20.423 1.00 3.42 C ATOM 395 CG2 VAL A 28 8.782 -0.140 18.639 1.00 11.12 C ATOM 0 H VAL A 28 12.075 2.242 19.769 1.00 30.33 H new ATOM 0 HA VAL A 28 11.316 0.245 17.736 1.00 44.23 H new ATOM 0 HB VAL A 28 10.434 -0.408 19.957 1.00 11.43 H new ATOM 0 HG11 VAL A 28 8.782 1.016 21.097 1.00 3.42 H new ATOM 0 HG12 VAL A 28 10.376 1.802 20.999 1.00 3.42 H new ATOM 0 HG13 VAL A 28 9.069 2.301 19.899 1.00 3.42 H new ATOM 0 HG21 VAL A 28 8.057 -0.559 19.337 1.00 11.12 H new ATOM 0 HG22 VAL A 28 8.314 0.661 18.067 1.00 11.12 H new ATOM 0 HG23 VAL A 28 9.123 -0.920 17.959 1.00 11.12 H new ATOM 405 N ARG A 29 10.142 1.976 16.398 1.00 3.21 N ATOM 406 CA ARG A 29 9.541 3.009 15.563 1.00 61.22 C ATOM 407 C ARG A 29 8.339 2.460 14.800 1.00 31.43 C ATOM 408 O ARG A 29 8.409 1.388 14.199 1.00 71.42 O ATOM 409 CB ARG A 29 10.573 3.563 14.579 1.00 52.43 C ATOM 410 CG ARG A 29 10.040 4.690 13.709 1.00 43.32 C ATOM 411 CD ARG A 29 9.396 4.157 12.439 1.00 44.04 C ATOM 412 NE ARG A 29 10.144 4.540 11.244 1.00 70.42 N ATOM 413 CZ ARG A 29 10.053 5.735 10.671 1.00 21.14 C ATOM 414 NH1 ARG A 29 9.251 6.659 11.182 1.00 5.04 N ATOM 415 NH2 ARG A 29 10.766 6.008 9.586 1.00 74.22 N ATOM 0 H ARG A 29 10.359 1.109 15.906 1.00 3.21 H new ATOM 0 HA ARG A 29 9.200 3.814 16.214 1.00 61.22 H new ATOM 0 HB2 ARG A 29 11.438 3.923 15.137 1.00 52.43 H new ATOM 0 HB3 ARG A 29 10.922 2.754 13.937 1.00 52.43 H new ATOM 0 HG2 ARG A 29 9.310 5.271 14.272 1.00 43.32 H new ATOM 0 HG3 ARG A 29 10.854 5.367 13.449 1.00 43.32 H new ATOM 0 HD2 ARG A 29 9.332 3.070 12.494 1.00 44.04 H new ATOM 0 HD3 ARG A 29 8.376 4.533 12.364 1.00 44.04 H new ATOM 0 HE ARG A 29 10.771 3.852 10.827 1.00 70.42 H new ATOM 0 HH11 ARG A 29 8.702 6.453 12.017 1.00 5.04 H new ATOM 0 HH12 ARG A 29 9.183 7.576 10.740 1.00 5.04 H new ATOM 0 HH21 ARG A 29 11.385 5.300 9.191 1.00 74.22 H new ATOM 0 HH22 ARG A 29 10.695 6.926 9.147 1.00 74.22 H new ATOM 429 N PHE A 30 7.237 3.201 14.830 1.00 14.23 N ATOM 430 CA PHE A 30 6.018 2.788 14.144 1.00 43.25 C ATOM 431 C PHE A 30 5.538 3.875 13.186 1.00 5.22 C ATOM 432 O PHE A 30 5.340 5.023 13.583 1.00 0.52 O ATOM 433 CB PHE A 30 4.920 2.466 15.159 1.00 72.54 C ATOM 434 CG PHE A 30 5.274 2.849 16.567 1.00 33.41 C ATOM 435 CD1 PHE A 30 6.117 2.052 17.325 1.00 44.35 C ATOM 436 CD2 PHE A 30 4.762 4.005 17.134 1.00 62.02 C ATOM 437 CE1 PHE A 30 6.445 2.402 18.621 1.00 45.21 C ATOM 438 CE2 PHE A 30 5.087 4.360 18.429 1.00 0.14 C ATOM 439 CZ PHE A 30 5.929 3.557 19.174 1.00 14.22 C ATOM 0 H PHE A 30 7.163 4.091 15.322 1.00 14.23 H new ATOM 0 HA PHE A 30 6.242 1.892 13.566 1.00 43.25 H new ATOM 0 HB2 PHE A 30 4.005 2.984 14.869 1.00 72.54 H new ATOM 0 HB3 PHE A 30 4.706 1.398 15.124 1.00 72.54 H new ATOM 0 HD1 PHE A 30 6.522 1.147 16.898 1.00 44.35 H new ATOM 0 HD2 PHE A 30 4.102 4.635 16.557 1.00 62.02 H new ATOM 0 HE1 PHE A 30 7.104 1.773 19.201 1.00 45.21 H new ATOM 0 HE2 PHE A 30 4.683 5.265 18.859 1.00 0.14 H new ATOM 0 HZ PHE A 30 6.183 3.832 20.187 1.00 14.22 H new ATOM 449 N ARG A 31 5.355 3.504 11.923 1.00 13.03 N ATOM 450 CA ARG A 31 4.900 4.447 10.908 1.00 22.24 C ATOM 451 C ARG A 31 3.377 4.466 10.827 1.00 34.51 C ATOM 452 O ARG A 31 2.752 3.467 10.466 1.00 43.51 O ATOM 453 CB ARG A 31 5.490 4.084 9.544 1.00 31.12 C ATOM 454 CG ARG A 31 7.008 4.004 9.539 1.00 52.34 C ATOM 455 CD ARG A 31 7.493 2.597 9.849 1.00 30.10 C ATOM 456 NE ARG A 31 8.922 2.441 9.589 1.00 34.25 N ATOM 457 CZ ARG A 31 9.543 1.267 9.582 1.00 62.22 C ATOM 458 NH1 ARG A 31 8.865 0.152 9.818 1.00 51.33 N ATOM 459 NH2 ARG A 31 10.846 1.206 9.337 1.00 11.03 N ATOM 0 H ARG A 31 5.515 2.557 11.578 1.00 13.03 H new ATOM 0 HA ARG A 31 5.243 5.442 11.192 1.00 22.24 H new ATOM 0 HB2 ARG A 31 5.083 3.124 9.225 1.00 31.12 H new ATOM 0 HB3 ARG A 31 5.171 4.825 8.811 1.00 31.12 H new ATOM 0 HG2 ARG A 31 7.386 4.314 8.565 1.00 52.34 H new ATOM 0 HG3 ARG A 31 7.412 4.700 10.274 1.00 52.34 H new ATOM 0 HD2 ARG A 31 7.287 2.365 10.894 1.00 30.10 H new ATOM 0 HD3 ARG A 31 6.935 1.880 9.247 1.00 30.10 H new ATOM 0 HE ARG A 31 9.473 3.279 9.403 1.00 34.25 H new ATOM 0 HH11 ARG A 31 7.863 0.194 10.006 1.00 51.33 H new ATOM 0 HH12 ARG A 31 9.345 -0.748 9.812 1.00 51.33 H new ATOM 0 HH21 ARG A 31 11.371 2.061 9.154 1.00 11.03 H new ATOM 0 HH22 ARG A 31 11.322 0.304 9.332 1.00 11.03 H new ATOM 473 N ILE A 32 2.785 5.606 11.166 1.00 43.23 N ATOM 474 CA ILE A 32 1.336 5.754 11.130 1.00 13.44 C ATOM 475 C ILE A 32 0.883 6.420 9.836 1.00 55.44 C ATOM 476 O ILE A 32 1.578 7.277 9.290 1.00 35.10 O ATOM 477 CB ILE A 32 0.825 6.581 12.326 1.00 60.35 C ATOM 478 CG1 ILE A 32 1.149 5.869 13.641 1.00 51.41 C ATOM 479 CG2 ILE A 32 -0.672 6.821 12.202 1.00 51.51 C ATOM 480 CD1 ILE A 32 1.700 6.791 14.706 1.00 13.05 C ATOM 0 H ILE A 32 3.287 6.441 11.469 1.00 43.23 H new ATOM 0 HA ILE A 32 0.915 4.750 11.186 1.00 13.44 H new ATOM 0 HB ILE A 32 1.330 7.547 12.324 1.00 60.35 H new ATOM 0 HG12 ILE A 32 0.245 5.390 14.018 1.00 51.41 H new ATOM 0 HG13 ILE A 32 1.872 5.077 13.448 1.00 51.41 H new ATOM 0 HG21 ILE A 32 -1.018 7.406 13.054 1.00 51.51 H new ATOM 0 HG22 ILE A 32 -0.878 7.365 11.280 1.00 51.51 H new ATOM 0 HG23 ILE A 32 -1.194 5.864 12.183 1.00 51.51 H new ATOM 0 HD11 ILE A 32 1.907 6.219 15.611 1.00 13.05 H new ATOM 0 HD12 ILE A 32 2.621 7.250 14.348 1.00 13.05 H new ATOM 0 HD13 ILE A 32 0.969 7.569 14.928 1.00 13.05 H new ATOM 492 N ALA A 33 -0.289 6.022 9.350 1.00 24.21 N ATOM 493 CA ALA A 33 -0.837 6.583 8.121 1.00 20.45 C ATOM 494 C ALA A 33 -1.131 8.070 8.281 1.00 53.34 C ATOM 495 O ALA A 33 -1.466 8.533 9.371 1.00 14.40 O ATOM 496 CB ALA A 33 -2.098 5.834 7.716 1.00 22.42 C ATOM 0 H ALA A 33 -0.877 5.313 9.789 1.00 24.21 H new ATOM 0 HA ALA A 33 -0.092 6.469 7.334 1.00 20.45 H new ATOM 0 HB1 ALA A 33 -2.497 6.263 6.797 1.00 22.42 H new ATOM 0 HB2 ALA A 33 -1.860 4.783 7.552 1.00 22.42 H new ATOM 0 HB3 ALA A 33 -2.842 5.919 8.508 1.00 22.42 H new ATOM 502 N ASP A 34 -1.003 8.814 7.187 1.00 13.14 N ATOM 503 CA ASP A 34 -1.256 10.250 7.206 1.00 40.22 C ATOM 504 C ASP A 34 -2.705 10.542 7.583 1.00 50.21 C ATOM 505 O ASP A 34 -3.047 11.665 7.950 1.00 13.41 O ATOM 506 CB ASP A 34 -0.938 10.863 5.841 1.00 3.11 C ATOM 507 CG ASP A 34 -0.616 12.342 5.931 1.00 21.15 C ATOM 508 OD1 ASP A 34 -0.326 12.819 7.049 1.00 44.13 O ATOM 509 OD2 ASP A 34 -0.653 13.022 4.885 1.00 75.21 O ATOM 0 H ASP A 34 -0.726 8.446 6.277 1.00 13.14 H new ATOM 0 HA ASP A 34 -0.607 10.698 7.958 1.00 40.22 H new ATOM 0 HB2 ASP A 34 -0.093 10.337 5.398 1.00 3.11 H new ATOM 0 HB3 ASP A 34 -1.788 10.719 5.174 1.00 3.11 H new ATOM 514 N GLY A 35 -3.553 9.522 7.488 1.00 11.43 N ATOM 515 CA GLY A 35 -4.955 9.691 7.822 1.00 75.54 C ATOM 516 C GLY A 35 -5.269 9.263 9.242 1.00 72.15 C ATOM 517 O GLY A 35 -6.435 9.159 9.623 1.00 54.33 O ATOM 0 H GLY A 35 -3.294 8.583 7.186 1.00 11.43 H new ATOM 0 HA2 GLY A 35 -5.233 10.737 7.691 1.00 75.54 H new ATOM 0 HA3 GLY A 35 -5.563 9.111 7.128 1.00 75.54 H new ATOM 521 N TYR A 36 -4.227 9.012 10.026 1.00 11.30 N ATOM 522 CA TYR A 36 -4.397 8.589 11.411 1.00 52.20 C ATOM 523 C TYR A 36 -3.465 9.365 12.336 1.00 3.21 C ATOM 524 O TYR A 36 -2.506 9.993 11.886 1.00 61.21 O ATOM 525 CB TYR A 36 -4.133 7.088 11.544 1.00 43.51 C ATOM 526 CG TYR A 36 -5.238 6.226 10.977 1.00 0.30 C ATOM 527 CD1 TYR A 36 -6.511 6.240 11.533 1.00 12.35 C ATOM 528 CD2 TYR A 36 -5.009 5.397 9.886 1.00 52.20 C ATOM 529 CE1 TYR A 36 -7.524 5.454 11.019 1.00 31.15 C ATOM 530 CE2 TYR A 36 -6.016 4.609 9.364 1.00 33.45 C ATOM 531 CZ TYR A 36 -7.272 4.640 9.935 1.00 42.23 C ATOM 532 OH TYR A 36 -8.277 3.855 9.419 1.00 14.00 O ATOM 0 H TYR A 36 -3.255 9.094 9.726 1.00 11.30 H new ATOM 0 HA TYR A 36 -5.426 8.797 11.704 1.00 52.20 H new ATOM 0 HB2 TYR A 36 -3.199 6.846 11.038 1.00 43.51 H new ATOM 0 HB3 TYR A 36 -3.997 6.843 12.598 1.00 43.51 H new ATOM 0 HD1 TYR A 36 -6.712 6.877 12.382 1.00 12.35 H new ATOM 0 HD2 TYR A 36 -4.027 5.368 9.438 1.00 52.20 H new ATOM 0 HE1 TYR A 36 -8.508 5.477 11.464 1.00 31.15 H new ATOM 0 HE2 TYR A 36 -5.822 3.972 8.514 1.00 33.45 H new ATOM 0 HH TYR A 36 -7.981 3.458 8.573 1.00 14.00 H new ATOM 542 N TYR A 37 -3.753 9.317 13.632 1.00 71.32 N ATOM 543 CA TYR A 37 -2.943 10.016 14.622 1.00 63.11 C ATOM 544 C TYR A 37 -3.072 9.360 15.993 1.00 12.24 C ATOM 545 O TYR A 37 -4.172 9.027 16.433 1.00 53.21 O ATOM 546 CB TYR A 37 -3.358 11.486 14.706 1.00 71.42 C ATOM 547 CG TYR A 37 -4.781 11.687 15.175 1.00 32.21 C ATOM 548 CD1 TYR A 37 -5.081 11.772 16.529 1.00 33.22 C ATOM 549 CD2 TYR A 37 -5.826 11.791 14.265 1.00 62.10 C ATOM 550 CE1 TYR A 37 -6.380 11.955 16.963 1.00 72.12 C ATOM 551 CE2 TYR A 37 -7.127 11.976 14.689 1.00 33.55 C ATOM 552 CZ TYR A 37 -7.399 12.057 16.039 1.00 35.32 C ATOM 553 OH TYR A 37 -8.695 12.239 16.466 1.00 1.11 O ATOM 0 H TYR A 37 -4.542 8.801 14.021 1.00 71.32 H new ATOM 0 HA TYR A 37 -1.901 9.957 14.308 1.00 63.11 H new ATOM 0 HB2 TYR A 37 -2.683 12.007 15.385 1.00 71.42 H new ATOM 0 HB3 TYR A 37 -3.239 11.945 13.725 1.00 71.42 H new ATOM 0 HD1 TYR A 37 -4.285 11.694 17.255 1.00 33.22 H new ATOM 0 HD2 TYR A 37 -5.617 11.726 13.207 1.00 62.10 H new ATOM 0 HE1 TYR A 37 -6.596 12.018 18.019 1.00 72.12 H new ATOM 0 HE2 TYR A 37 -7.927 12.057 13.968 1.00 33.55 H new ATOM 0 HH TYR A 37 -9.291 12.292 15.690 1.00 1.11 H new ATOM 563 N MET A 38 -1.939 9.179 16.664 1.00 35.34 N ATOM 564 CA MET A 38 -1.925 8.565 17.987 1.00 33.41 C ATOM 565 C MET A 38 -1.410 9.545 19.036 1.00 32.11 C ATOM 566 O MET A 38 -0.468 10.297 18.787 1.00 42.11 O ATOM 567 CB MET A 38 -1.057 7.305 17.979 1.00 43.31 C ATOM 568 CG MET A 38 -1.550 6.233 17.021 1.00 43.23 C ATOM 569 SD MET A 38 -0.323 4.945 16.729 1.00 24.30 S ATOM 570 CE MET A 38 -1.381 3.534 16.417 1.00 22.31 C ATOM 0 H MET A 38 -1.020 9.448 16.314 1.00 35.34 H new ATOM 0 HA MET A 38 -2.948 8.291 18.244 1.00 33.41 H new ATOM 0 HB2 MET A 38 -0.036 7.579 17.711 1.00 43.31 H new ATOM 0 HB3 MET A 38 -1.022 6.892 18.987 1.00 43.31 H new ATOM 0 HG2 MET A 38 -2.457 5.781 17.423 1.00 43.23 H new ATOM 0 HG3 MET A 38 -1.819 6.696 16.071 1.00 43.23 H new ATOM 0 HE1 MET A 38 -0.796 2.734 15.964 1.00 22.31 H new ATOM 0 HE2 MET A 38 -1.807 3.184 17.357 1.00 22.31 H new ATOM 0 HE3 MET A 38 -2.184 3.824 15.740 1.00 22.31 H new ATOM 580 N TYR A 39 -2.034 9.531 20.209 1.00 50.43 N ATOM 581 CA TYR A 39 -1.640 10.421 21.294 1.00 0.34 C ATOM 582 C TYR A 39 -0.393 9.900 22.001 1.00 25.50 C ATOM 583 O TYR A 39 -0.347 8.748 22.432 1.00 62.43 O ATOM 584 CB TYR A 39 -2.783 10.572 22.299 1.00 35.32 C ATOM 585 CG TYR A 39 -4.147 10.674 21.654 1.00 70.12 C ATOM 586 CD1 TYR A 39 -4.582 11.866 21.089 1.00 51.52 C ATOM 587 CD2 TYR A 39 -5.001 9.579 21.610 1.00 64.42 C ATOM 588 CE1 TYR A 39 -5.827 11.965 20.499 1.00 73.13 C ATOM 589 CE2 TYR A 39 -6.247 9.667 21.021 1.00 42.45 C ATOM 590 CZ TYR A 39 -6.656 10.863 20.467 1.00 63.44 C ATOM 591 OH TYR A 39 -7.897 10.956 19.880 1.00 60.51 O ATOM 0 H TYR A 39 -2.814 8.913 20.432 1.00 50.43 H new ATOM 0 HA TYR A 39 -1.411 11.396 20.864 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -2.774 9.719 22.977 1.00 35.32 H new ATOM 0 HB3 TYR A 39 -2.609 11.462 22.904 1.00 35.32 H new ATOM 0 HD1 TYR A 39 -3.935 12.731 21.111 1.00 51.52 H new ATOM 0 HD2 TYR A 39 -4.685 8.642 22.044 1.00 64.42 H new ATOM 0 HE1 TYR A 39 -6.150 12.900 20.065 1.00 73.13 H new ATOM 0 HE2 TYR A 39 -6.897 8.805 20.994 1.00 42.45 H new ATOM 0 HH TYR A 39 -8.353 10.091 19.941 1.00 60.51 H new ATOM 601 N GLN A 40 0.617 10.757 22.116 1.00 35.22 N ATOM 602 CA GLN A 40 1.865 10.383 22.770 1.00 11.13 C ATOM 603 C GLN A 40 1.598 9.750 24.132 1.00 52.21 C ATOM 604 O GLN A 40 2.282 8.810 24.535 1.00 75.31 O ATOM 605 CB GLN A 40 2.767 11.608 22.932 1.00 20.20 C ATOM 606 CG GLN A 40 4.236 11.262 23.113 1.00 21.35 C ATOM 607 CD GLN A 40 5.160 12.352 22.607 1.00 15.23 C ATOM 608 OE1 GLN A 40 5.377 12.488 21.403 1.00 53.21 O ATOM 609 NE2 GLN A 40 5.709 13.137 23.527 1.00 40.03 N ATOM 0 H GLN A 40 0.595 11.714 21.765 1.00 35.22 H new ATOM 0 HA GLN A 40 2.369 9.649 22.141 1.00 11.13 H new ATOM 0 HB2 GLN A 40 2.658 12.247 22.056 1.00 20.20 H new ATOM 0 HB3 GLN A 40 2.430 12.186 23.792 1.00 20.20 H new ATOM 0 HG2 GLN A 40 4.436 11.084 24.170 1.00 21.35 H new ATOM 0 HG3 GLN A 40 4.454 10.333 22.586 1.00 21.35 H new ATOM 0 HE21 GLN A 40 5.501 12.988 24.514 1.00 40.03 H new ATOM 0 HE22 GLN A 40 6.339 13.889 23.246 1.00 40.03 H new ATOM 618 N ALA A 41 0.599 10.273 24.836 1.00 24.13 N ATOM 619 CA ALA A 41 0.241 9.758 26.152 1.00 62.00 C ATOM 620 C ALA A 41 -0.339 8.351 26.052 1.00 55.55 C ATOM 621 O ALA A 41 -0.167 7.531 26.953 1.00 2.24 O ATOM 622 CB ALA A 41 -0.748 10.692 26.833 1.00 52.11 C ATOM 0 H ALA A 41 0.024 11.053 24.517 1.00 24.13 H new ATOM 0 HA ALA A 41 1.148 9.706 26.754 1.00 62.00 H new ATOM 0 HB1 ALA A 41 -1.007 10.295 27.815 1.00 52.11 H new ATOM 0 HB2 ALA A 41 -0.298 11.678 26.947 1.00 52.11 H new ATOM 0 HB3 ALA A 41 -1.649 10.773 26.226 1.00 52.11 H new ATOM 628 N LYS A 42 -1.029 8.079 24.949 1.00 34.43 N ATOM 629 CA LYS A 42 -1.636 6.771 24.730 1.00 62.13 C ATOM 630 C LYS A 42 -0.580 5.739 24.345 1.00 11.22 C ATOM 631 O LYS A 42 -0.737 4.548 24.614 1.00 62.34 O ATOM 632 CB LYS A 42 -2.702 6.858 23.635 1.00 21.42 C ATOM 633 CG LYS A 42 -4.111 7.041 24.172 1.00 70.41 C ATOM 634 CD LYS A 42 -4.544 5.855 25.017 1.00 31.34 C ATOM 635 CE LYS A 42 -6.023 5.929 25.366 1.00 62.12 C ATOM 636 NZ LYS A 42 -6.402 4.918 26.391 1.00 14.24 N ATOM 0 H LYS A 42 -1.182 8.747 24.193 1.00 34.43 H new ATOM 0 HA LYS A 42 -2.105 6.455 25.662 1.00 62.13 H new ATOM 0 HB2 LYS A 42 -2.464 7.690 22.973 1.00 21.42 H new ATOM 0 HB3 LYS A 42 -2.667 5.951 23.032 1.00 21.42 H new ATOM 0 HG2 LYS A 42 -4.158 7.951 24.770 1.00 70.41 H new ATOM 0 HG3 LYS A 42 -4.804 7.169 23.341 1.00 70.41 H new ATOM 0 HD2 LYS A 42 -4.342 4.930 24.477 1.00 31.34 H new ATOM 0 HD3 LYS A 42 -3.954 5.825 25.933 1.00 31.34 H new ATOM 0 HE2 LYS A 42 -6.260 6.927 25.735 1.00 62.12 H new ATOM 0 HE3 LYS A 42 -6.617 5.773 24.465 1.00 62.12 H new ATOM 0 HZ1 LYS A 42 -7.293 5.202 26.846 1.00 14.24 H new ATOM 0 HZ2 LYS A 42 -6.526 3.991 25.935 1.00 14.24 H new ATOM 0 HZ3 LYS A 42 -5.652 4.853 27.109 1.00 14.24 H new ATOM 650 N ILE A 43 0.494 6.205 23.717 1.00 24.33 N ATOM 651 CA ILE A 43 1.576 5.322 23.299 1.00 4.11 C ATOM 652 C ILE A 43 2.256 4.678 24.502 1.00 24.33 C ATOM 653 O ILE A 43 2.491 5.330 25.520 1.00 42.24 O ATOM 654 CB ILE A 43 2.632 6.079 22.471 1.00 30.33 C ATOM 655 CG1 ILE A 43 1.952 6.970 21.430 1.00 2.42 C ATOM 656 CG2 ILE A 43 3.580 5.098 21.798 1.00 22.43 C ATOM 657 CD1 ILE A 43 0.793 6.301 20.726 1.00 52.10 C ATOM 0 H ILE A 43 0.638 7.188 23.487 1.00 24.33 H new ATOM 0 HA ILE A 43 1.128 4.545 22.679 1.00 4.11 H new ATOM 0 HB ILE A 43 3.212 6.713 23.141 1.00 30.33 H new ATOM 0 HG12 ILE A 43 1.595 7.877 21.918 1.00 2.42 H new ATOM 0 HG13 ILE A 43 2.690 7.276 20.688 1.00 2.42 H new ATOM 0 HG21 ILE A 43 4.320 5.648 21.217 1.00 22.43 H new ATOM 0 HG22 ILE A 43 4.085 4.501 22.557 1.00 22.43 H new ATOM 0 HG23 ILE A 43 3.015 4.441 21.137 1.00 22.43 H new ATOM 0 HD11 ILE A 43 0.359 6.991 20.002 1.00 52.10 H new ATOM 0 HD12 ILE A 43 1.147 5.409 20.209 1.00 52.10 H new ATOM 0 HD13 ILE A 43 0.036 6.020 21.458 1.00 52.10 H new ATOM 669 N VAL A 44 2.572 3.392 24.379 1.00 43.55 N ATOM 670 CA VAL A 44 3.229 2.660 25.455 1.00 73.55 C ATOM 671 C VAL A 44 4.289 1.711 24.906 1.00 1.34 C ATOM 672 O VAL A 44 4.057 1.002 23.928 1.00 0.23 O ATOM 673 CB VAL A 44 2.213 1.852 26.284 1.00 21.24 C ATOM 674 CG1 VAL A 44 2.848 1.364 27.578 1.00 71.45 C ATOM 675 CG2 VAL A 44 0.975 2.688 26.571 1.00 20.01 C ATOM 0 H VAL A 44 2.383 2.836 23.545 1.00 43.55 H new ATOM 0 HA VAL A 44 3.706 3.400 26.098 1.00 73.55 H new ATOM 0 HB VAL A 44 1.909 0.980 25.705 1.00 21.24 H new ATOM 0 HG11 VAL A 44 2.116 0.795 28.151 1.00 71.45 H new ATOM 0 HG12 VAL A 44 3.702 0.727 27.347 1.00 71.45 H new ATOM 0 HG13 VAL A 44 3.182 2.220 28.165 1.00 71.45 H new ATOM 0 HG21 VAL A 44 0.268 2.101 27.158 1.00 20.01 H new ATOM 0 HG22 VAL A 44 1.259 3.579 27.131 1.00 20.01 H new ATOM 0 HG23 VAL A 44 0.509 2.983 25.631 1.00 20.01 H new ATOM 685 N GLY A 45 5.456 1.704 25.545 1.00 75.22 N ATOM 686 CA GLY A 45 6.535 0.838 25.107 1.00 1.31 C ATOM 687 C GLY A 45 7.540 0.563 26.208 1.00 32.41 C ATOM 688 O GLY A 45 8.242 1.468 26.660 1.00 71.43 O ATOM 0 H GLY A 45 5.673 2.282 26.357 1.00 75.22 H new ATOM 0 HA2 GLY A 45 6.119 -0.106 24.755 1.00 1.31 H new ATOM 0 HA3 GLY A 45 7.045 1.298 24.260 1.00 1.31 H new ATOM 692 N LYS A 46 7.609 -0.691 26.644 1.00 52.24 N ATOM 693 CA LYS A 46 8.534 -1.085 27.699 1.00 3.22 C ATOM 694 C LYS A 46 9.166 -2.439 27.392 1.00 51.34 C ATOM 695 O LYS A 46 8.483 -3.374 26.973 1.00 33.14 O ATOM 696 CB LYS A 46 7.810 -1.142 29.046 1.00 73.21 C ATOM 697 CG LYS A 46 8.691 -1.609 30.191 1.00 21.14 C ATOM 698 CD LYS A 46 8.152 -2.879 30.828 1.00 63.33 C ATOM 699 CE LYS A 46 8.081 -4.019 29.823 1.00 73.00 C ATOM 700 NZ LYS A 46 7.798 -5.324 30.483 1.00 11.51 N ATOM 0 H LYS A 46 7.034 -1.452 26.282 1.00 52.24 H new ATOM 0 HA LYS A 46 9.326 -0.338 27.750 1.00 3.22 H new ATOM 0 HB2 LYS A 46 7.418 -0.152 29.281 1.00 73.21 H new ATOM 0 HB3 LYS A 46 6.954 -1.812 28.961 1.00 73.21 H new ATOM 0 HG2 LYS A 46 9.702 -1.786 29.824 1.00 21.14 H new ATOM 0 HG3 LYS A 46 8.758 -0.823 30.944 1.00 21.14 H new ATOM 0 HD2 LYS A 46 8.790 -3.168 31.663 1.00 63.33 H new ATOM 0 HD3 LYS A 46 7.159 -2.690 31.236 1.00 63.33 H new ATOM 0 HE2 LYS A 46 7.304 -3.808 29.088 1.00 73.00 H new ATOM 0 HE3 LYS A 46 9.024 -4.084 29.280 1.00 73.00 H new ATOM 0 HZ1 LYS A 46 7.540 -6.029 29.763 1.00 11.51 H new ATOM 0 HZ2 LYS A 46 8.645 -5.645 30.994 1.00 11.51 H new ATOM 0 HZ3 LYS A 46 7.011 -5.211 31.153 1.00 11.51 H new ATOM 714 N THR A 47 10.475 -2.538 27.603 1.00 52.23 N ATOM 715 CA THR A 47 11.198 -3.777 27.348 1.00 23.14 C ATOM 716 C THR A 47 12.212 -4.059 28.452 1.00 55.40 C ATOM 717 O THR A 47 13.052 -3.216 28.766 1.00 75.43 O ATOM 718 CB THR A 47 11.931 -3.732 25.994 1.00 74.40 C ATOM 719 OG1 THR A 47 12.637 -4.959 25.778 1.00 33.31 O ATOM 720 CG2 THR A 47 12.905 -2.565 25.944 1.00 72.11 C ATOM 0 H THR A 47 11.056 -1.775 27.950 1.00 52.23 H new ATOM 0 HA THR A 47 10.457 -4.576 27.325 1.00 23.14 H new ATOM 0 HB THR A 47 11.188 -3.598 25.208 1.00 74.40 H new ATOM 0 HG1 THR A 47 13.469 -4.953 26.296 1.00 33.31 H new ATOM 0 HG21 THR A 47 13.411 -2.554 24.978 1.00 72.11 H new ATOM 0 HG22 THR A 47 12.360 -1.631 26.079 1.00 72.11 H new ATOM 0 HG23 THR A 47 13.643 -2.673 26.739 1.00 72.11 H new ATOM 728 N ASN A 48 12.127 -5.249 29.037 1.00 12.12 N ATOM 729 CA ASN A 48 13.037 -5.641 30.107 1.00 65.44 C ATOM 730 C ASN A 48 12.694 -7.032 30.631 1.00 75.21 C ATOM 731 O ASN A 48 11.586 -7.536 30.446 1.00 75.11 O ATOM 732 CB ASN A 48 12.983 -4.625 31.249 1.00 21.55 C ATOM 733 CG ASN A 48 11.573 -4.140 31.525 1.00 20.54 C ATOM 734 OD1 ASN A 48 10.599 -4.844 31.257 1.00 21.12 O ATOM 735 ND2 ASN A 48 11.458 -2.932 32.064 1.00 71.11 N ATOM 0 H ASN A 48 11.438 -5.958 28.788 1.00 12.12 H new ATOM 0 HA ASN A 48 14.048 -5.665 29.700 1.00 65.44 H new ATOM 0 HB2 ASN A 48 13.393 -5.076 32.153 1.00 21.55 H new ATOM 0 HB3 ASN A 48 13.616 -3.772 31.003 1.00 21.55 H new ATOM 0 HD21 ASN A 48 10.535 -2.552 32.273 1.00 71.11 H new ATOM 0 HD22 ASN A 48 12.293 -2.384 32.269 1.00 71.11 H new ATOM 742 N PRO A 49 13.665 -7.669 31.302 1.00 41.50 N ATOM 743 CA PRO A 49 13.489 -9.009 31.868 1.00 71.20 C ATOM 744 C PRO A 49 12.530 -9.016 33.054 1.00 64.51 C ATOM 745 O PRO A 49 11.754 -9.955 33.231 1.00 50.34 O ATOM 746 CB PRO A 49 14.901 -9.392 32.319 1.00 33.11 C ATOM 747 CG PRO A 49 15.587 -8.092 32.560 1.00 41.02 C ATOM 748 CD PRO A 49 15.010 -7.128 31.560 1.00 2.13 C ATOM 0 HA PRO A 49 13.055 -9.702 31.148 1.00 71.20 H new ATOM 0 HB2 PRO A 49 14.876 -10.000 33.223 1.00 33.11 H new ATOM 0 HB3 PRO A 49 15.416 -9.976 31.556 1.00 33.11 H new ATOM 0 HG2 PRO A 49 15.418 -7.745 33.579 1.00 41.02 H new ATOM 0 HG3 PRO A 49 16.665 -8.190 32.431 1.00 41.02 H new ATOM 0 HD2 PRO A 49 14.966 -6.114 31.958 1.00 2.13 H new ATOM 0 HD3 PRO A 49 15.608 -7.087 30.650 1.00 2.13 H new ATOM 756 N ALA A 50 12.590 -7.964 33.863 1.00 21.25 N ATOM 757 CA ALA A 50 11.725 -7.849 35.031 1.00 2.21 C ATOM 758 C ALA A 50 11.718 -6.422 35.570 1.00 25.44 C ATOM 759 O ALA A 50 12.182 -6.167 36.682 1.00 45.43 O ATOM 760 CB ALA A 50 12.167 -8.822 36.114 1.00 63.34 C ATOM 0 H ALA A 50 13.228 -7.179 33.731 1.00 21.25 H new ATOM 0 HA ALA A 50 10.709 -8.100 34.726 1.00 2.21 H new ATOM 0 HB1 ALA A 50 11.512 -8.725 36.980 1.00 63.34 H new ATOM 0 HB2 ALA A 50 12.114 -9.841 35.731 1.00 63.34 H new ATOM 0 HB3 ALA A 50 13.192 -8.598 36.408 1.00 63.34 H new ATOM 766 N ASP A 51 11.191 -5.497 34.777 1.00 74.45 N ATOM 767 CA ASP A 51 11.123 -4.096 35.175 1.00 63.13 C ATOM 768 C ASP A 51 12.505 -3.572 35.553 1.00 41.33 C ATOM 769 O ASP A 51 12.683 -2.968 36.611 1.00 4.25 O ATOM 770 CB ASP A 51 10.160 -3.923 36.350 1.00 75.34 C ATOM 771 CG ASP A 51 9.517 -2.550 36.375 1.00 63.25 C ATOM 772 OD1 ASP A 51 10.225 -1.559 36.098 1.00 11.33 O ATOM 773 OD2 ASP A 51 8.307 -2.467 36.669 1.00 31.24 O ATOM 0 H ASP A 51 10.804 -5.692 33.854 1.00 74.45 H new ATOM 0 HA ASP A 51 10.754 -3.520 34.326 1.00 63.13 H new ATOM 0 HB2 ASP A 51 9.382 -4.684 36.293 1.00 75.34 H new ATOM 0 HB3 ASP A 51 10.698 -4.086 37.284 1.00 75.34 H new ATOM 778 N LEU A 52 13.480 -3.807 34.682 1.00 41.13 N ATOM 779 CA LEU A 52 14.847 -3.359 34.924 1.00 22.23 C ATOM 780 C LEU A 52 15.155 -2.095 34.129 1.00 43.23 C ATOM 781 O LEU A 52 15.840 -1.194 34.615 1.00 43.10 O ATOM 782 CB LEU A 52 15.839 -4.463 34.554 1.00 5.10 C ATOM 783 CG LEU A 52 16.465 -5.223 35.724 1.00 63.00 C ATOM 784 CD1 LEU A 52 16.966 -6.585 35.269 1.00 33.10 C ATOM 785 CD2 LEU A 52 17.598 -4.415 36.340 1.00 61.10 C ATOM 0 H LEU A 52 13.349 -4.305 33.802 1.00 41.13 H new ATOM 0 HA LEU A 52 14.946 -3.131 35.985 1.00 22.23 H new ATOM 0 HB2 LEU A 52 15.330 -5.181 33.911 1.00 5.10 H new ATOM 0 HB3 LEU A 52 16.641 -4.020 33.964 1.00 5.10 H new ATOM 0 HG LEU A 52 15.699 -5.376 36.484 1.00 63.00 H new ATOM 0 HD11 LEU A 52 17.408 -7.111 36.115 1.00 33.10 H new ATOM 0 HD12 LEU A 52 16.132 -7.167 34.876 1.00 33.10 H new ATOM 0 HD13 LEU A 52 17.717 -6.455 34.490 1.00 33.10 H new ATOM 0 HD21 LEU A 52 18.032 -4.971 37.171 1.00 61.10 H new ATOM 0 HD22 LEU A 52 18.365 -4.231 35.587 1.00 61.10 H new ATOM 0 HD23 LEU A 52 17.210 -3.463 36.703 1.00 61.10 H new ATOM 797 N LEU A 53 14.644 -2.033 32.904 1.00 32.23 N ATOM 798 CA LEU A 53 14.862 -0.878 32.041 1.00 1.41 C ATOM 799 C LEU A 53 14.508 0.417 32.765 1.00 51.40 C ATOM 800 O LEU A 53 13.608 0.446 33.603 1.00 32.11 O ATOM 801 CB LEU A 53 14.030 -1.006 30.764 1.00 14.42 C ATOM 802 CG LEU A 53 14.152 0.146 29.765 1.00 34.32 C ATOM 803 CD1 LEU A 53 15.042 -0.252 28.598 1.00 32.32 C ATOM 804 CD2 LEU A 53 12.777 0.569 29.269 1.00 13.44 C ATOM 0 H LEU A 53 14.076 -2.770 32.486 1.00 32.23 H new ATOM 0 HA LEU A 53 15.919 -0.847 31.777 1.00 1.41 H new ATOM 0 HB2 LEU A 53 14.315 -1.929 30.260 1.00 14.42 H new ATOM 0 HB3 LEU A 53 12.982 -1.107 31.046 1.00 14.42 H new ATOM 0 HG LEU A 53 14.611 0.995 30.272 1.00 34.32 H new ATOM 0 HD11 LEU A 53 15.117 0.580 27.898 1.00 32.32 H new ATOM 0 HD12 LEU A 53 16.035 -0.506 28.968 1.00 32.32 H new ATOM 0 HD13 LEU A 53 14.612 -1.116 28.091 1.00 32.32 H new ATOM 0 HD21 LEU A 53 12.883 1.389 28.559 1.00 13.44 H new ATOM 0 HD22 LEU A 53 12.292 -0.275 28.779 1.00 13.44 H new ATOM 0 HD23 LEU A 53 12.170 0.896 30.113 1.00 13.44 H new ATOM 816 N GLY A 54 15.222 1.489 32.433 1.00 14.24 N ATOM 817 CA GLY A 54 14.966 2.773 33.060 1.00 43.24 C ATOM 818 C GLY A 54 13.598 3.325 32.713 1.00 13.24 C ATOM 819 O GLY A 54 12.592 2.913 33.290 1.00 73.52 O ATOM 0 H GLY A 54 15.972 1.491 31.742 1.00 14.24 H new ATOM 0 HA2 GLY A 54 15.048 2.668 34.142 1.00 43.24 H new ATOM 0 HA3 GLY A 54 15.731 3.485 32.749 1.00 43.24 H new ATOM 823 N GLN A 55 13.560 4.262 31.771 1.00 60.41 N ATOM 824 CA GLN A 55 12.304 4.872 31.351 1.00 2.32 C ATOM 825 C GLN A 55 12.273 5.068 29.839 1.00 13.00 C ATOM 826 O GLN A 55 13.308 5.149 29.177 1.00 32.34 O ATOM 827 CB GLN A 55 12.105 6.215 32.056 1.00 44.55 C ATOM 828 CG GLN A 55 11.734 6.084 33.524 1.00 63.52 C ATOM 829 CD GLN A 55 11.636 7.425 34.224 1.00 72.33 C ATOM 830 OE1 GLN A 55 11.529 8.468 33.579 1.00 54.13 O ATOM 831 NE2 GLN A 55 11.672 7.404 35.551 1.00 55.11 N ATOM 0 H GLN A 55 14.384 4.615 31.284 1.00 60.41 H new ATOM 0 HA GLN A 55 11.492 4.200 31.628 1.00 2.32 H new ATOM 0 HB2 GLN A 55 13.022 6.799 31.973 1.00 44.55 H new ATOM 0 HB3 GLN A 55 11.323 6.774 31.541 1.00 44.55 H new ATOM 0 HG2 GLN A 55 10.780 5.564 33.608 1.00 63.52 H new ATOM 0 HG3 GLN A 55 12.478 5.468 34.029 1.00 63.52 H new ATOM 0 HE21 GLN A 55 11.762 6.516 36.045 1.00 55.11 H new ATOM 0 HE22 GLN A 55 11.610 8.276 36.077 1.00 55.11 H new ATOM 840 N PRO A 56 11.057 5.146 29.277 1.00 3.02 N ATOM 841 CA PRO A 56 10.862 5.334 27.836 1.00 32.55 C ATOM 842 C PRO A 56 11.274 6.726 27.372 1.00 54.30 C ATOM 843 O PRO A 56 11.215 7.689 28.137 1.00 23.32 O ATOM 844 CB PRO A 56 9.355 5.133 27.654 1.00 63.41 C ATOM 845 CG PRO A 56 8.764 5.475 28.978 1.00 63.31 C ATOM 846 CD PRO A 56 9.780 5.058 30.005 1.00 23.21 C ATOM 0 HA PRO A 56 11.472 4.648 27.249 1.00 32.55 H new ATOM 0 HB2 PRO A 56 8.962 5.777 26.867 1.00 63.41 H new ATOM 0 HB3 PRO A 56 9.124 4.106 27.371 1.00 63.41 H new ATOM 0 HG2 PRO A 56 8.554 6.542 29.048 1.00 63.31 H new ATOM 0 HG3 PRO A 56 7.819 4.954 29.130 1.00 63.31 H new ATOM 0 HD2 PRO A 56 9.767 5.716 30.874 1.00 23.21 H new ATOM 0 HD3 PRO A 56 9.593 4.047 30.368 1.00 23.21 H new ATOM 854 N SER A 57 11.690 6.827 26.114 1.00 75.55 N ATOM 855 CA SER A 57 12.114 8.102 25.548 1.00 24.31 C ATOM 856 C SER A 57 11.425 8.360 24.212 1.00 65.14 C ATOM 857 O SER A 57 11.925 7.967 23.157 1.00 54.43 O ATOM 858 CB SER A 57 13.633 8.121 25.364 1.00 1.42 C ATOM 859 OG SER A 57 14.005 8.957 24.281 1.00 31.53 O ATOM 0 H SER A 57 11.743 6.040 25.467 1.00 75.55 H new ATOM 0 HA SER A 57 11.829 8.893 26.242 1.00 24.31 H new ATOM 0 HB2 SER A 57 14.109 8.473 26.279 1.00 1.42 H new ATOM 0 HB3 SER A 57 13.994 7.108 25.186 1.00 1.42 H new ATOM 0 HG SER A 57 13.596 8.624 23.455 1.00 31.53 H new ATOM 865 N PHE A 58 10.275 9.023 24.264 1.00 20.05 N ATOM 866 CA PHE A 58 9.516 9.334 23.059 1.00 75.50 C ATOM 867 C PHE A 58 10.330 10.214 22.115 1.00 75.41 C ATOM 868 O PHE A 58 11.151 11.019 22.553 1.00 22.52 O ATOM 869 CB PHE A 58 8.204 10.033 23.423 1.00 62.01 C ATOM 870 CG PHE A 58 7.427 9.328 24.498 1.00 42.40 C ATOM 871 CD1 PHE A 58 7.464 7.948 24.606 1.00 72.53 C ATOM 872 CD2 PHE A 58 6.660 10.047 25.400 1.00 32.05 C ATOM 873 CE1 PHE A 58 6.750 7.296 25.594 1.00 23.01 C ATOM 874 CE2 PHE A 58 5.945 9.401 26.391 1.00 14.01 C ATOM 875 CZ PHE A 58 5.989 8.024 26.487 1.00 31.23 C ATOM 0 H PHE A 58 9.848 9.356 25.129 1.00 20.05 H new ATOM 0 HA PHE A 58 9.291 8.397 22.550 1.00 75.50 H new ATOM 0 HB2 PHE A 58 8.422 11.049 23.751 1.00 62.01 H new ATOM 0 HB3 PHE A 58 7.584 10.112 22.530 1.00 62.01 H new ATOM 0 HD1 PHE A 58 8.058 7.374 23.910 1.00 72.53 H new ATOM 0 HD2 PHE A 58 6.620 11.124 25.328 1.00 32.05 H new ATOM 0 HE1 PHE A 58 6.787 6.219 25.667 1.00 23.01 H new ATOM 0 HE2 PHE A 58 5.352 9.973 27.090 1.00 14.01 H new ATOM 0 HZ PHE A 58 5.429 7.517 27.259 1.00 31.23 H new ATOM 885 N SER A 59 10.095 10.053 20.816 1.00 10.24 N ATOM 886 CA SER A 59 10.809 10.829 19.809 1.00 13.42 C ATOM 887 C SER A 59 10.247 12.245 19.715 1.00 74.41 C ATOM 888 O SER A 59 10.756 13.079 18.966 1.00 14.24 O ATOM 889 CB SER A 59 10.719 10.141 18.446 1.00 32.20 C ATOM 890 OG SER A 59 11.634 9.062 18.358 1.00 12.31 O ATOM 0 H SER A 59 9.416 9.393 20.437 1.00 10.24 H new ATOM 0 HA SER A 59 11.855 10.891 20.108 1.00 13.42 H new ATOM 0 HB2 SER A 59 9.705 9.776 18.286 1.00 32.20 H new ATOM 0 HB3 SER A 59 10.926 10.863 17.656 1.00 32.20 H new ATOM 0 HG SER A 59 11.429 8.402 19.053 1.00 12.31 H new ATOM 896 N LYS A 60 9.192 12.508 20.480 1.00 65.22 N ATOM 897 CA LYS A 60 8.560 13.821 20.485 1.00 14.35 C ATOM 898 C LYS A 60 7.962 14.144 19.119 1.00 25.53 C ATOM 899 O LYS A 60 8.687 14.414 18.163 1.00 40.23 O ATOM 900 CB LYS A 60 9.575 14.898 20.877 1.00 73.41 C ATOM 901 CG LYS A 60 8.948 16.113 21.537 1.00 10.34 C ATOM 902 CD LYS A 60 8.554 15.825 22.976 1.00 3.34 C ATOM 903 CE LYS A 60 7.301 16.590 23.375 1.00 23.22 C ATOM 904 NZ LYS A 60 7.620 17.778 24.214 1.00 1.13 N ATOM 0 H LYS A 60 8.757 11.828 21.104 1.00 65.22 H new ATOM 0 HA LYS A 60 7.755 13.805 21.219 1.00 14.35 H new ATOM 0 HB2 LYS A 60 10.309 14.464 21.556 1.00 73.41 H new ATOM 0 HB3 LYS A 60 10.116 15.217 19.986 1.00 73.41 H new ATOM 0 HG2 LYS A 60 9.651 16.946 21.511 1.00 10.34 H new ATOM 0 HG3 LYS A 60 8.068 16.421 20.973 1.00 10.34 H new ATOM 0 HD2 LYS A 60 8.384 14.756 23.101 1.00 3.34 H new ATOM 0 HD3 LYS A 60 9.374 16.097 23.640 1.00 3.34 H new ATOM 0 HE2 LYS A 60 6.770 16.911 22.478 1.00 23.22 H new ATOM 0 HE3 LYS A 60 6.630 15.928 23.923 1.00 23.22 H new ATOM 0 HZ1 LYS A 60 6.740 18.272 24.465 1.00 1.13 H new ATOM 0 HZ2 LYS A 60 8.104 17.470 25.082 1.00 1.13 H new ATOM 0 HZ3 LYS A 60 8.239 18.422 23.682 1.00 1.13 H new ATOM 918 N GLY A 61 6.636 14.114 19.036 1.00 33.22 N ATOM 919 CA GLY A 61 5.964 14.406 17.783 1.00 22.13 C ATOM 920 C GLY A 61 5.589 15.869 17.654 1.00 32.21 C ATOM 921 O GLY A 61 6.459 16.738 17.614 1.00 61.35 O ATOM 0 H GLY A 61 6.015 13.893 19.814 1.00 33.22 H new ATOM 0 HA2 GLY A 61 6.612 14.126 16.953 1.00 22.13 H new ATOM 0 HA3 GLY A 61 5.064 13.795 17.706 1.00 22.13 H new ATOM 925 N GLU A 62 4.289 16.141 17.588 1.00 43.14 N ATOM 926 CA GLU A 62 3.802 17.509 17.459 1.00 11.44 C ATOM 927 C GLU A 62 2.634 17.762 18.409 1.00 44.30 C ATOM 928 O GLU A 62 1.733 16.934 18.534 1.00 1.24 O ATOM 929 CB GLU A 62 3.371 17.788 16.018 1.00 74.31 C ATOM 930 CG GLU A 62 3.458 19.254 15.629 1.00 64.24 C ATOM 931 CD GLU A 62 4.382 19.490 14.450 1.00 42.05 C ATOM 932 OE1 GLU A 62 4.017 19.095 13.322 1.00 22.03 O ATOM 933 OE2 GLU A 62 5.469 20.069 14.654 1.00 45.14 O ATOM 0 H GLU A 62 3.556 15.433 17.622 1.00 43.14 H new ATOM 0 HA GLU A 62 4.616 18.184 17.723 1.00 11.44 H new ATOM 0 HB2 GLU A 62 3.995 17.204 15.342 1.00 74.31 H new ATOM 0 HB3 GLU A 62 2.345 17.445 15.882 1.00 74.31 H new ATOM 0 HG2 GLU A 62 2.461 19.621 15.384 1.00 64.24 H new ATOM 0 HG3 GLU A 62 3.810 19.833 16.483 1.00 64.24 H new ATOM 940 N GLU A 63 2.660 18.912 19.075 1.00 12.35 N ATOM 941 CA GLU A 63 1.605 19.273 20.015 1.00 55.42 C ATOM 942 C GLU A 63 0.380 19.809 19.278 1.00 4.51 C ATOM 943 O GLU A 63 0.495 20.661 18.396 1.00 24.21 O ATOM 944 CB GLU A 63 2.113 20.319 21.010 1.00 72.31 C ATOM 945 CG GLU A 63 2.659 21.573 20.349 1.00 1.11 C ATOM 946 CD GLU A 63 1.797 22.793 20.610 1.00 31.13 C ATOM 947 OE1 GLU A 63 0.565 22.699 20.430 1.00 70.01 O ATOM 948 OE2 GLU A 63 2.355 23.842 20.995 1.00 21.35 O ATOM 0 H GLU A 63 3.399 19.609 18.981 1.00 12.35 H new ATOM 0 HA GLU A 63 1.316 18.374 20.560 1.00 55.42 H new ATOM 0 HB2 GLU A 63 1.299 20.597 21.680 1.00 72.31 H new ATOM 0 HB3 GLU A 63 2.894 19.873 21.626 1.00 72.31 H new ATOM 0 HG2 GLU A 63 3.669 21.761 20.714 1.00 1.11 H new ATOM 0 HG3 GLU A 63 2.734 21.409 19.274 1.00 1.11 H new ATOM 955 N LYS A 64 -0.792 19.304 19.646 1.00 53.40 N ATOM 956 CA LYS A 64 -2.039 19.731 19.022 1.00 12.13 C ATOM 957 C LYS A 64 -3.181 19.733 20.034 1.00 62.01 C ATOM 958 O LYS A 64 -3.145 19.003 21.024 1.00 53.11 O ATOM 959 CB LYS A 64 -2.386 18.813 17.848 1.00 40.53 C ATOM 960 CG LYS A 64 -2.877 17.440 18.273 1.00 45.32 C ATOM 961 CD LYS A 64 -4.334 17.229 17.900 1.00 34.04 C ATOM 962 CE LYS A 64 -4.607 15.783 17.515 1.00 52.23 C ATOM 963 NZ LYS A 64 -5.814 15.658 16.652 1.00 74.41 N ATOM 0 H LYS A 64 -0.905 18.598 20.374 1.00 53.40 H new ATOM 0 HA LYS A 64 -1.902 20.747 18.653 1.00 12.13 H new ATOM 0 HB2 LYS A 64 -3.153 19.291 17.238 1.00 40.53 H new ATOM 0 HB3 LYS A 64 -1.505 18.695 17.217 1.00 40.53 H new ATOM 0 HG2 LYS A 64 -2.265 16.672 17.801 1.00 45.32 H new ATOM 0 HG3 LYS A 64 -2.756 17.327 19.350 1.00 45.32 H new ATOM 0 HD2 LYS A 64 -4.970 17.509 18.740 1.00 34.04 H new ATOM 0 HD3 LYS A 64 -4.596 17.884 17.069 1.00 34.04 H new ATOM 0 HE2 LYS A 64 -3.742 15.377 16.991 1.00 52.23 H new ATOM 0 HE3 LYS A 64 -4.742 15.186 18.417 1.00 52.23 H new ATOM 0 HZ1 LYS A 64 -5.967 14.658 16.411 1.00 74.41 H new ATOM 0 HZ2 LYS A 64 -6.644 16.022 17.162 1.00 74.41 H new ATOM 0 HZ3 LYS A 64 -5.675 16.207 15.780 1.00 74.41 H new ATOM 977 N GLU A 65 -4.192 20.557 19.777 1.00 72.42 N ATOM 978 CA GLU A 65 -5.344 20.651 20.666 1.00 51.52 C ATOM 979 C GLU A 65 -6.604 20.128 19.982 1.00 62.12 C ATOM 980 O GLU A 65 -6.890 20.474 18.836 1.00 51.14 O ATOM 981 CB GLU A 65 -5.556 22.100 21.109 1.00 11.53 C ATOM 982 CG GLU A 65 -4.264 22.835 21.428 1.00 75.33 C ATOM 983 CD GLU A 65 -4.505 24.230 21.970 1.00 51.32 C ATOM 984 OE1 GLU A 65 -5.675 24.665 21.992 1.00 14.11 O ATOM 985 OE2 GLU A 65 -3.522 24.887 22.372 1.00 11.41 O ATOM 0 H GLU A 65 -4.237 21.168 18.962 1.00 72.42 H new ATOM 0 HA GLU A 65 -5.145 20.035 21.543 1.00 51.52 H new ATOM 0 HB2 GLU A 65 -6.085 22.638 20.322 1.00 11.53 H new ATOM 0 HB3 GLU A 65 -6.198 22.111 21.990 1.00 11.53 H new ATOM 0 HG2 GLU A 65 -3.694 22.260 22.157 1.00 75.33 H new ATOM 0 HG3 GLU A 65 -3.655 22.900 20.526 1.00 75.33 H new ATOM 992 N ASP A 66 -7.352 19.292 20.693 1.00 23.41 N ATOM 993 CA ASP A 66 -8.581 18.720 20.156 1.00 31.11 C ATOM 994 C ASP A 66 -9.602 18.487 21.265 1.00 10.14 C ATOM 995 O ASP A 66 -9.427 18.955 22.390 1.00 33.31 O ATOM 996 CB ASP A 66 -8.284 17.404 19.435 1.00 54.33 C ATOM 997 CG ASP A 66 -8.946 17.329 18.073 1.00 75.50 C ATOM 998 OD1 ASP A 66 -8.752 18.261 17.266 1.00 40.54 O ATOM 999 OD2 ASP A 66 -9.658 16.336 17.814 1.00 34.13 O ATOM 0 H ASP A 66 -7.129 18.995 21.643 1.00 23.41 H new ATOM 0 HA ASP A 66 -9.001 19.429 19.443 1.00 31.11 H new ATOM 0 HB2 ASP A 66 -7.206 17.292 19.319 1.00 54.33 H new ATOM 0 HB3 ASP A 66 -8.627 16.571 20.049 1.00 54.33 H new ATOM 1004 N GLU A 67 -10.668 17.762 20.939 1.00 2.55 N ATOM 1005 CA GLU A 67 -11.717 17.470 21.909 1.00 53.03 C ATOM 1006 C GLU A 67 -11.693 15.998 22.309 1.00 22.25 C ATOM 1007 O GLU A 67 -12.436 15.571 23.194 1.00 42.13 O ATOM 1008 CB GLU A 67 -13.089 17.831 21.333 1.00 25.53 C ATOM 1009 CG GLU A 67 -13.294 17.354 19.905 1.00 5.40 C ATOM 1010 CD GLU A 67 -14.646 17.751 19.346 1.00 11.32 C ATOM 1011 OE1 GLU A 67 -15.401 18.446 20.059 1.00 72.51 O ATOM 1012 OE2 GLU A 67 -14.950 17.368 18.197 1.00 2.13 O ATOM 0 H GLU A 67 -10.828 17.367 20.012 1.00 2.55 H new ATOM 0 HA GLU A 67 -11.533 18.073 22.798 1.00 53.03 H new ATOM 0 HB2 GLU A 67 -13.864 17.400 21.966 1.00 25.53 H new ATOM 0 HB3 GLU A 67 -13.215 18.913 21.367 1.00 25.53 H new ATOM 0 HG2 GLU A 67 -12.508 17.766 19.272 1.00 5.40 H new ATOM 0 HG3 GLU A 67 -13.195 16.269 19.871 1.00 5.40 H new ATOM 1019 N PHE A 68 -10.834 15.226 21.652 1.00 22.11 N ATOM 1020 CA PHE A 68 -10.713 13.801 21.938 1.00 43.12 C ATOM 1021 C PHE A 68 -9.695 13.553 23.047 1.00 3.41 C ATOM 1022 O PHE A 68 -9.454 12.412 23.441 1.00 61.13 O ATOM 1023 CB PHE A 68 -10.304 13.039 20.676 1.00 41.15 C ATOM 1024 CG PHE A 68 -11.431 12.844 19.702 1.00 44.14 C ATOM 1025 CD1 PHE A 68 -12.095 13.934 19.163 1.00 42.20 C ATOM 1026 CD2 PHE A 68 -11.826 11.571 19.325 1.00 21.53 C ATOM 1027 CE1 PHE A 68 -13.132 13.758 18.266 1.00 2.42 C ATOM 1028 CE2 PHE A 68 -12.862 11.389 18.429 1.00 62.53 C ATOM 1029 CZ PHE A 68 -13.516 12.484 17.900 1.00 74.45 C ATOM 0 H PHE A 68 -10.211 15.563 20.918 1.00 22.11 H new ATOM 0 HA PHE A 68 -11.685 13.440 22.274 1.00 43.12 H new ATOM 0 HB2 PHE A 68 -9.496 13.578 20.181 1.00 41.15 H new ATOM 0 HB3 PHE A 68 -9.909 12.064 20.962 1.00 41.15 H new ATOM 0 HD1 PHE A 68 -11.799 14.933 19.447 1.00 42.20 H new ATOM 0 HD2 PHE A 68 -11.318 10.711 19.736 1.00 21.53 H new ATOM 0 HE1 PHE A 68 -13.641 14.616 17.852 1.00 2.42 H new ATOM 0 HE2 PHE A 68 -13.160 10.391 18.143 1.00 62.53 H new ATOM 0 HZ PHE A 68 -14.327 12.344 17.201 1.00 74.45 H new ATOM 1039 N PHE A 69 -9.099 14.631 23.547 1.00 52.21 N ATOM 1040 CA PHE A 69 -8.106 14.532 24.610 1.00 43.13 C ATOM 1041 C PHE A 69 -7.673 15.918 25.080 1.00 22.55 C ATOM 1042 O PHE A 69 -7.394 16.125 26.261 1.00 53.34 O ATOM 1043 CB PHE A 69 -6.888 13.742 24.126 1.00 21.35 C ATOM 1044 CG PHE A 69 -6.111 14.439 23.047 1.00 45.10 C ATOM 1045 CD1 PHE A 69 -6.698 14.722 21.825 1.00 50.44 C ATOM 1046 CD2 PHE A 69 -4.792 14.811 23.255 1.00 61.24 C ATOM 1047 CE1 PHE A 69 -5.986 15.364 20.829 1.00 5.31 C ATOM 1048 CE2 PHE A 69 -4.075 15.453 22.263 1.00 3.31 C ATOM 1049 CZ PHE A 69 -4.672 15.729 21.049 1.00 42.35 C ATOM 0 H PHE A 69 -9.287 15.583 23.233 1.00 52.21 H new ATOM 0 HA PHE A 69 -8.560 14.008 25.451 1.00 43.13 H new ATOM 0 HB2 PHE A 69 -6.228 13.552 24.973 1.00 21.35 H new ATOM 0 HB3 PHE A 69 -7.218 12.772 23.756 1.00 21.35 H new ATOM 0 HD1 PHE A 69 -7.725 14.438 21.648 1.00 50.44 H new ATOM 0 HD2 PHE A 69 -4.320 14.597 24.202 1.00 61.24 H new ATOM 0 HE1 PHE A 69 -6.456 15.580 19.881 1.00 5.31 H new ATOM 0 HE2 PHE A 69 -3.048 15.739 22.437 1.00 3.31 H new ATOM 0 HZ PHE A 69 -4.112 16.230 20.273 1.00 42.35 H new ATOM 1059 N GLY A 70 -7.618 16.863 24.147 1.00 13.11 N ATOM 1060 CA GLY A 70 -7.218 18.217 24.485 1.00 71.52 C ATOM 1061 C GLY A 70 -5.888 18.599 23.867 1.00 23.11 C ATOM 1062 O GLY A 70 -5.559 18.162 22.764 1.00 33.41 O ATOM 0 H GLY A 70 -7.843 16.716 23.163 1.00 13.11 H new ATOM 0 HA2 GLY A 70 -7.985 18.914 24.148 1.00 71.52 H new ATOM 0 HA3 GLY A 70 -7.153 18.314 25.569 1.00 71.52 H new ATOM 1066 N ARG A 71 -5.121 19.419 24.578 1.00 24.44 N ATOM 1067 CA ARG A 71 -3.820 19.862 24.092 1.00 42.10 C ATOM 1068 C ARG A 71 -2.712 18.929 24.573 1.00 75.32 C ATOM 1069 O ARG A 71 -2.299 18.987 25.730 1.00 22.43 O ATOM 1070 CB ARG A 71 -3.536 21.291 24.560 1.00 34.41 C ATOM 1071 CG ARG A 71 -4.760 22.192 24.542 1.00 34.51 C ATOM 1072 CD ARG A 71 -5.410 22.276 25.914 1.00 11.24 C ATOM 1073 NE ARG A 71 -5.448 23.646 26.418 1.00 10.44 N ATOM 1074 CZ ARG A 71 -5.617 23.954 27.700 1.00 62.34 C ATOM 1075 NH1 ARG A 71 -5.762 22.993 28.602 1.00 60.13 N ATOM 1076 NH2 ARG A 71 -5.640 25.224 28.081 1.00 51.51 N ATOM 0 H ARG A 71 -5.378 19.790 25.493 1.00 24.44 H new ATOM 0 HA ARG A 71 -3.842 19.841 23.002 1.00 42.10 H new ATOM 0 HB2 ARG A 71 -3.133 21.260 25.572 1.00 34.41 H new ATOM 0 HB3 ARG A 71 -2.765 21.726 23.924 1.00 34.41 H new ATOM 0 HG2 ARG A 71 -4.473 23.191 24.212 1.00 34.51 H new ATOM 0 HG3 ARG A 71 -5.482 21.813 23.819 1.00 34.51 H new ATOM 0 HD2 ARG A 71 -6.425 21.882 25.859 1.00 11.24 H new ATOM 0 HD3 ARG A 71 -4.861 21.647 26.615 1.00 11.24 H new ATOM 0 HE ARG A 71 -5.339 24.409 25.749 1.00 10.44 H new ATOM 0 HH11 ARG A 71 -5.744 22.015 28.313 1.00 60.13 H new ATOM 0 HH12 ARG A 71 -5.892 23.232 29.585 1.00 60.13 H new ATOM 0 HH21 ARG A 71 -5.528 25.966 27.390 1.00 51.51 H new ATOM 0 HH22 ARG A 71 -5.770 25.459 29.065 1.00 51.51 H new ATOM 1090 N GLN A 72 -2.238 18.070 23.676 1.00 54.01 N ATOM 1091 CA GLN A 72 -1.180 17.124 24.010 1.00 73.14 C ATOM 1092 C GLN A 72 -0.364 16.762 22.773 1.00 31.33 C ATOM 1093 O GLN A 72 -0.760 17.059 21.645 1.00 23.44 O ATOM 1094 CB GLN A 72 -1.775 15.859 24.631 1.00 14.20 C ATOM 1095 CG GLN A 72 -0.974 15.324 25.807 1.00 13.20 C ATOM 1096 CD GLN A 72 -1.846 14.977 26.998 1.00 52.43 C ATOM 1097 OE1 GLN A 72 -2.408 13.884 27.073 1.00 4.11 O ATOM 1098 NE2 GLN A 72 -1.964 15.909 27.937 1.00 73.14 N ATOM 0 H GLN A 72 -2.570 18.010 22.713 1.00 54.01 H new ATOM 0 HA GLN A 72 -0.518 17.599 24.734 1.00 73.14 H new ATOM 0 HB2 GLN A 72 -2.792 16.070 24.961 1.00 14.20 H new ATOM 0 HB3 GLN A 72 -1.842 15.086 23.866 1.00 14.20 H new ATOM 0 HG2 GLN A 72 -0.424 14.437 25.493 1.00 13.20 H new ATOM 0 HG3 GLN A 72 -0.235 16.067 26.107 1.00 13.20 H new ATOM 0 HE21 GLN A 72 -1.480 16.801 27.834 1.00 73.14 H new ATOM 0 HE22 GLN A 72 -2.538 15.733 28.761 1.00 73.14 H new ATOM 1107 N THR A 73 0.778 16.118 22.992 1.00 5.01 N ATOM 1108 CA THR A 73 1.651 15.717 21.896 1.00 25.43 C ATOM 1109 C THR A 73 1.147 14.441 21.231 1.00 44.34 C ATOM 1110 O THR A 73 0.766 13.485 21.906 1.00 2.31 O ATOM 1111 CB THR A 73 3.096 15.492 22.382 1.00 11.12 C ATOM 1112 OG1 THR A 73 3.296 16.143 23.642 1.00 52.12 O ATOM 1113 CG2 THR A 73 4.097 16.023 21.367 1.00 71.41 C ATOM 0 H THR A 73 1.120 15.863 23.919 1.00 5.01 H new ATOM 0 HA THR A 73 1.642 16.530 21.171 1.00 25.43 H new ATOM 0 HB THR A 73 3.254 14.420 22.498 1.00 11.12 H new ATOM 0 HG1 THR A 73 4.216 15.994 23.945 1.00 52.12 H new ATOM 0 HG21 THR A 73 5.110 15.853 21.732 1.00 71.41 H new ATOM 0 HG22 THR A 73 3.962 15.505 20.417 1.00 71.41 H new ATOM 0 HG23 THR A 73 3.938 17.092 21.224 1.00 71.41 H new ATOM 1121 N VAL A 74 1.148 14.433 19.901 1.00 25.23 N ATOM 1122 CA VAL A 74 0.693 13.273 19.144 1.00 54.42 C ATOM 1123 C VAL A 74 1.566 13.041 17.916 1.00 23.13 C ATOM 1124 O VAL A 74 2.477 13.820 17.633 1.00 71.31 O ATOM 1125 CB VAL A 74 -0.772 13.437 18.695 1.00 64.33 C ATOM 1126 CG1 VAL A 74 -1.659 13.779 19.882 1.00 74.34 C ATOM 1127 CG2 VAL A 74 -0.881 14.500 17.613 1.00 51.34 C ATOM 0 H VAL A 74 1.459 15.216 19.326 1.00 25.23 H new ATOM 0 HA VAL A 74 0.769 12.412 19.808 1.00 54.42 H new ATOM 0 HB VAL A 74 -1.115 12.490 18.278 1.00 64.33 H new ATOM 0 HG11 VAL A 74 -2.690 13.891 19.546 1.00 74.34 H new ATOM 0 HG12 VAL A 74 -1.603 12.979 20.620 1.00 74.34 H new ATOM 0 HG13 VAL A 74 -1.321 14.712 20.332 1.00 74.34 H new ATOM 0 HG21 VAL A 74 -1.922 14.603 17.308 1.00 51.34 H new ATOM 0 HG22 VAL A 74 -0.521 15.453 18.001 1.00 51.34 H new ATOM 0 HG23 VAL A 74 -0.278 14.207 16.753 1.00 51.34 H new ATOM 1137 N TYR A 75 1.283 11.965 17.191 1.00 71.12 N ATOM 1138 CA TYR A 75 2.044 11.628 15.994 1.00 42.03 C ATOM 1139 C TYR A 75 1.143 11.606 14.763 1.00 32.31 C ATOM 1140 O TYR A 75 0.036 11.066 14.799 1.00 4.10 O ATOM 1141 CB TYR A 75 2.728 10.270 16.164 1.00 54.21 C ATOM 1142 CG TYR A 75 3.668 10.210 17.346 1.00 22.41 C ATOM 1143 CD1 TYR A 75 4.742 11.085 17.451 1.00 51.14 C ATOM 1144 CD2 TYR A 75 3.482 9.277 18.359 1.00 4.14 C ATOM 1145 CE1 TYR A 75 5.604 11.033 18.529 1.00 61.44 C ATOM 1146 CE2 TYR A 75 4.339 9.218 19.442 1.00 53.41 C ATOM 1147 CZ TYR A 75 5.398 10.098 19.522 1.00 63.23 C ATOM 1148 OH TYR A 75 6.254 10.043 20.598 1.00 41.31 O ATOM 0 H TYR A 75 0.532 11.311 17.411 1.00 71.12 H new ATOM 0 HA TYR A 75 2.805 12.395 15.851 1.00 42.03 H new ATOM 0 HB2 TYR A 75 1.965 9.500 16.278 1.00 54.21 H new ATOM 0 HB3 TYR A 75 3.284 10.036 15.256 1.00 54.21 H new ATOM 0 HD1 TYR A 75 4.906 11.819 16.676 1.00 51.14 H new ATOM 0 HD2 TYR A 75 2.654 8.586 18.299 1.00 4.14 H new ATOM 0 HE1 TYR A 75 6.434 11.720 18.594 1.00 61.44 H new ATOM 0 HE2 TYR A 75 4.180 8.487 20.221 1.00 53.41 H new ATOM 0 HH TYR A 75 6.270 10.913 21.048 1.00 41.31 H new ATOM 1158 N HIS A 76 1.625 12.196 13.674 1.00 72.53 N ATOM 1159 CA HIS A 76 0.864 12.243 12.430 1.00 3.00 C ATOM 1160 C HIS A 76 1.411 11.238 11.420 1.00 11.42 C ATOM 1161 O HIS A 76 0.838 11.047 10.347 1.00 44.32 O ATOM 1162 CB HIS A 76 0.903 13.652 11.837 1.00 20.14 C ATOM 1163 CG HIS A 76 2.225 14.011 11.231 1.00 32.42 C ATOM 1164 ND1 HIS A 76 2.366 14.960 10.241 1.00 71.31 N ATOM 1165 CD2 HIS A 76 3.470 13.543 11.482 1.00 71.42 C ATOM 1166 CE1 HIS A 76 3.640 15.059 9.907 1.00 23.43 C ATOM 1167 NE2 HIS A 76 4.332 14.210 10.646 1.00 35.51 N ATOM 0 H HIS A 76 2.538 12.648 13.627 1.00 72.53 H new ATOM 0 HA HIS A 76 -0.170 11.980 12.655 1.00 3.00 H new ATOM 0 HB2 HIS A 76 0.128 13.738 11.075 1.00 20.14 H new ATOM 0 HB3 HIS A 76 0.663 14.373 12.619 1.00 20.14 H new ATOM 0 HD2 HIS A 76 3.736 12.786 12.205 1.00 71.42 H new ATOM 0 HE1 HIS A 76 4.047 15.721 9.157 1.00 23.43 H new ATOM 0 HE2 HIS A 76 5.342 14.072 10.603 1.00 35.51 H new ATOM 1175 N HIS A 77 2.522 10.599 11.771 1.00 45.11 N ATOM 1176 CA HIS A 77 3.147 9.614 10.895 1.00 54.01 C ATOM 1177 C HIS A 77 4.344 8.961 11.578 1.00 23.11 C ATOM 1178 O HIS A 77 4.453 7.736 11.621 1.00 3.05 O ATOM 1179 CB HIS A 77 3.587 10.271 9.586 1.00 32.51 C ATOM 1180 CG HIS A 77 4.253 9.324 8.636 1.00 44.12 C ATOM 1181 ND1 HIS A 77 3.671 8.906 7.458 1.00 63.31 N ATOM 1182 CD2 HIS A 77 5.461 8.715 8.694 1.00 50.31 C ATOM 1183 CE1 HIS A 77 4.491 8.079 6.833 1.00 1.15 C ATOM 1184 NE2 HIS A 77 5.585 7.947 7.562 1.00 14.14 N ATOM 0 H HIS A 77 3.008 10.745 12.656 1.00 45.11 H new ATOM 0 HA HIS A 77 2.411 8.841 10.675 1.00 54.01 H new ATOM 0 HB2 HIS A 77 2.716 10.710 9.098 1.00 32.51 H new ATOM 0 HB3 HIS A 77 4.272 11.088 9.811 1.00 32.51 H new ATOM 0 HD2 HIS A 77 6.191 8.815 9.483 1.00 50.31 H new ATOM 0 HE1 HIS A 77 4.299 7.594 5.887 1.00 1.15 H new ATOM 0 HE2 HIS A 77 6.391 7.369 7.323 1.00 14.14 H new ATOM 1192 N GLU A 78 5.240 9.787 12.109 1.00 11.33 N ATOM 1193 CA GLU A 78 6.430 9.289 12.789 1.00 70.24 C ATOM 1194 C GLU A 78 6.161 9.083 14.277 1.00 43.44 C ATOM 1195 O GLU A 78 5.567 9.937 14.934 1.00 32.23 O ATOM 1196 CB GLU A 78 7.597 10.260 12.599 1.00 10.11 C ATOM 1197 CG GLU A 78 7.262 11.694 12.973 1.00 51.35 C ATOM 1198 CD GLU A 78 8.429 12.418 13.616 1.00 62.44 C ATOM 1199 OE1 GLU A 78 9.523 12.433 13.013 1.00 12.33 O ATOM 1200 OE2 GLU A 78 8.248 12.968 14.722 1.00 42.41 O ATOM 0 H GLU A 78 5.164 10.804 12.081 1.00 11.33 H new ATOM 0 HA GLU A 78 6.693 8.327 12.349 1.00 70.24 H new ATOM 0 HB2 GLU A 78 8.440 9.924 13.202 1.00 10.11 H new ATOM 0 HB3 GLU A 78 7.918 10.230 11.558 1.00 10.11 H new ATOM 0 HG2 GLU A 78 6.952 12.235 12.079 1.00 51.35 H new ATOM 0 HG3 GLU A 78 6.415 11.698 13.659 1.00 51.35 H new ATOM 1207 N ALA A 79 6.603 7.945 14.800 1.00 24.40 N ATOM 1208 CA ALA A 79 6.412 7.627 16.210 1.00 64.13 C ATOM 1209 C ALA A 79 7.425 6.589 16.681 1.00 62.35 C ATOM 1210 O ALA A 79 7.206 5.386 16.538 1.00 41.23 O ATOM 1211 CB ALA A 79 4.994 7.131 16.452 1.00 43.34 C ATOM 0 H ALA A 79 7.096 7.227 14.269 1.00 24.40 H new ATOM 0 HA ALA A 79 6.570 8.538 16.787 1.00 64.13 H new ATOM 0 HB1 ALA A 79 4.866 6.897 17.509 1.00 43.34 H new ATOM 0 HB2 ALA A 79 4.283 7.905 16.163 1.00 43.34 H new ATOM 0 HB3 ALA A 79 4.816 6.235 15.858 1.00 43.34 H new ATOM 1217 N GLN A 80 8.534 7.062 17.241 1.00 35.32 N ATOM 1218 CA GLN A 80 9.580 6.173 17.731 1.00 24.03 C ATOM 1219 C GLN A 80 9.893 6.456 19.197 1.00 52.10 C ATOM 1220 O GLN A 80 9.793 7.594 19.655 1.00 12.32 O ATOM 1221 CB GLN A 80 10.847 6.329 16.888 1.00 2.02 C ATOM 1222 CG GLN A 80 12.072 5.672 17.504 1.00 43.34 C ATOM 1223 CD GLN A 80 13.320 5.863 16.665 1.00 44.44 C ATOM 1224 OE1 GLN A 80 13.737 6.991 16.399 1.00 2.30 O ATOM 1225 NE2 GLN A 80 13.925 4.759 16.242 1.00 11.21 N ATOM 0 H GLN A 80 8.731 8.055 17.366 1.00 35.32 H new ATOM 0 HA GLN A 80 9.219 5.148 17.647 1.00 24.03 H new ATOM 0 HB2 GLN A 80 10.672 5.900 15.901 1.00 2.02 H new ATOM 0 HB3 GLN A 80 11.048 7.390 16.743 1.00 2.02 H new ATOM 0 HG2 GLN A 80 12.240 6.086 18.498 1.00 43.34 H new ATOM 0 HG3 GLN A 80 11.883 4.606 17.630 1.00 43.34 H new ATOM 0 HE21 GLN A 80 13.545 3.844 16.486 1.00 11.21 H new ATOM 0 HE22 GLN A 80 14.769 4.826 15.674 1.00 11.21 H new ATOM 1234 N VAL A 81 10.271 5.413 19.929 1.00 63.34 N ATOM 1235 CA VAL A 81 10.599 5.549 21.343 1.00 51.13 C ATOM 1236 C VAL A 81 11.883 4.801 21.684 1.00 34.01 C ATOM 1237 O VAL A 81 12.116 3.695 21.198 1.00 22.33 O ATOM 1238 CB VAL A 81 9.459 5.025 22.236 1.00 20.30 C ATOM 1239 CG1 VAL A 81 9.713 5.385 23.692 1.00 74.30 C ATOM 1240 CG2 VAL A 81 8.120 5.574 21.768 1.00 50.12 C ATOM 0 H VAL A 81 10.358 4.464 19.566 1.00 63.34 H new ATOM 0 HA VAL A 81 10.741 6.613 21.534 1.00 51.13 H new ATOM 0 HB VAL A 81 9.428 3.938 22.155 1.00 20.30 H new ATOM 0 HG11 VAL A 81 8.897 5.007 24.308 1.00 74.30 H new ATOM 0 HG12 VAL A 81 10.652 4.938 24.019 1.00 74.30 H new ATOM 0 HG13 VAL A 81 9.772 6.469 23.794 1.00 74.30 H new ATOM 0 HG21 VAL A 81 7.326 5.193 22.410 1.00 50.12 H new ATOM 0 HG22 VAL A 81 8.136 6.663 21.817 1.00 50.12 H new ATOM 0 HG23 VAL A 81 7.937 5.260 20.740 1.00 50.12 H new ATOM 1250 N ALA A 82 12.712 5.412 22.524 1.00 51.45 N ATOM 1251 CA ALA A 82 13.971 4.803 22.932 1.00 4.14 C ATOM 1252 C ALA A 82 13.866 4.213 24.334 1.00 21.15 C ATOM 1253 O ALA A 82 13.371 4.861 25.256 1.00 13.53 O ATOM 1254 CB ALA A 82 15.097 5.825 22.871 1.00 14.51 C ATOM 0 H ALA A 82 12.534 6.328 22.935 1.00 51.45 H new ATOM 0 HA ALA A 82 14.194 3.991 22.240 1.00 4.14 H new ATOM 0 HB1 ALA A 82 16.031 5.356 23.179 1.00 14.51 H new ATOM 0 HB2 ALA A 82 15.196 6.197 21.851 1.00 14.51 H new ATOM 0 HB3 ALA A 82 14.871 6.656 23.540 1.00 14.51 H new ATOM 1260 N PHE A 83 14.334 2.979 24.489 1.00 63.24 N ATOM 1261 CA PHE A 83 14.291 2.300 25.779 1.00 41.33 C ATOM 1262 C PHE A 83 15.700 2.003 26.284 1.00 12.13 C ATOM 1263 O PHE A 83 16.238 0.912 26.093 1.00 11.33 O ATOM 1264 CB PHE A 83 13.492 1.000 25.669 1.00 53.43 C ATOM 1265 CG PHE A 83 12.183 1.160 24.949 1.00 42.42 C ATOM 1266 CD1 PHE A 83 11.307 2.177 25.294 1.00 30.43 C ATOM 1267 CD2 PHE A 83 11.829 0.294 23.927 1.00 42.21 C ATOM 1268 CE1 PHE A 83 10.102 2.327 24.634 1.00 62.14 C ATOM 1269 CE2 PHE A 83 10.626 0.440 23.262 1.00 22.14 C ATOM 1270 CZ PHE A 83 9.761 1.457 23.617 1.00 61.41 C ATOM 0 H PHE A 83 14.748 2.428 23.737 1.00 63.24 H new ATOM 0 HA PHE A 83 13.799 2.961 26.493 1.00 41.33 H new ATOM 0 HB2 PHE A 83 14.095 0.255 25.149 1.00 53.43 H new ATOM 0 HB3 PHE A 83 13.302 0.614 26.670 1.00 53.43 H new ATOM 0 HD1 PHE A 83 11.569 2.860 26.088 1.00 30.43 H new ATOM 0 HD2 PHE A 83 12.501 -0.504 23.647 1.00 42.21 H new ATOM 0 HE1 PHE A 83 9.428 3.123 24.913 1.00 62.14 H new ATOM 0 HE2 PHE A 83 10.363 -0.240 22.466 1.00 22.14 H new ATOM 0 HZ PHE A 83 8.820 1.572 23.100 1.00 61.41 H new ATOM 1280 N PRO A 84 16.313 2.997 26.945 1.00 73.41 N ATOM 1281 CA PRO A 84 17.667 2.867 27.492 1.00 75.52 C ATOM 1282 C PRO A 84 17.723 1.911 28.679 1.00 70.34 C ATOM 1283 O PRO A 84 16.926 2.016 29.611 1.00 1.03 O ATOM 1284 CB PRO A 84 18.008 4.291 27.936 1.00 41.03 C ATOM 1285 CG PRO A 84 16.689 4.934 28.194 1.00 23.22 C ATOM 1286 CD PRO A 84 15.731 4.323 27.209 1.00 11.24 C ATOM 0 HA PRO A 84 18.364 2.455 26.762 1.00 75.52 H new ATOM 0 HB2 PRO A 84 18.629 4.288 28.832 1.00 41.03 H new ATOM 0 HB3 PRO A 84 18.564 4.824 27.164 1.00 41.03 H new ATOM 0 HG2 PRO A 84 16.362 4.756 29.218 1.00 23.22 H new ATOM 0 HG3 PRO A 84 16.749 6.014 28.062 1.00 23.22 H new ATOM 0 HD2 PRO A 84 14.725 4.245 27.622 1.00 11.24 H new ATOM 0 HD3 PRO A 84 15.657 4.918 26.299 1.00 11.24 H new ATOM 1294 N TYR A 85 18.669 0.979 28.638 1.00 41.35 N ATOM 1295 CA TYR A 85 18.828 0.003 29.709 1.00 11.41 C ATOM 1296 C TYR A 85 19.218 0.688 31.016 1.00 62.43 C ATOM 1297 O TYR A 85 19.748 1.799 31.014 1.00 74.55 O ATOM 1298 CB TYR A 85 19.885 -1.035 29.329 1.00 75.21 C ATOM 1299 CG TYR A 85 19.527 -1.841 28.100 1.00 2.23 C ATOM 1300 CD1 TYR A 85 18.219 -2.244 27.866 1.00 35.20 C ATOM 1301 CD2 TYR A 85 20.499 -2.198 27.173 1.00 54.41 C ATOM 1302 CE1 TYR A 85 17.888 -2.981 26.745 1.00 11.12 C ATOM 1303 CE2 TYR A 85 20.177 -2.933 26.048 1.00 12.15 C ATOM 1304 CZ TYR A 85 18.870 -3.323 25.839 1.00 4.54 C ATOM 1305 OH TYR A 85 18.545 -4.055 24.721 1.00 72.11 O ATOM 0 H TYR A 85 19.337 0.879 27.874 1.00 41.35 H new ATOM 0 HA TYR A 85 17.871 -0.499 29.854 1.00 11.41 H new ATOM 0 HB2 TYR A 85 20.835 -0.528 29.157 1.00 75.21 H new ATOM 0 HB3 TYR A 85 20.033 -1.714 30.168 1.00 75.21 H new ATOM 0 HD1 TYR A 85 17.447 -1.977 28.572 1.00 35.20 H new ATOM 0 HD2 TYR A 85 21.523 -1.896 27.335 1.00 54.41 H new ATOM 0 HE1 TYR A 85 16.866 -3.288 26.579 1.00 11.12 H new ATOM 0 HE2 TYR A 85 20.944 -3.201 25.336 1.00 12.15 H new ATOM 0 HH TYR A 85 18.307 -4.968 24.986 1.00 72.11 H new ATOM 1315 N ALA A 86 18.953 0.015 32.131 1.00 71.34 N ATOM 1316 CA ALA A 86 19.278 0.555 33.445 1.00 40.03 C ATOM 1317 C ALA A 86 20.315 -0.310 34.153 1.00 62.13 C ATOM 1318 O ALA A 86 20.990 0.143 35.077 1.00 21.14 O ATOM 1319 CB ALA A 86 18.020 0.674 34.292 1.00 1.42 C ATOM 0 H ALA A 86 18.514 -0.905 32.150 1.00 71.34 H new ATOM 0 HA ALA A 86 19.705 1.548 33.307 1.00 40.03 H new ATOM 0 HB1 ALA A 86 18.277 1.079 35.271 1.00 1.42 H new ATOM 0 HB2 ALA A 86 17.311 1.339 33.799 1.00 1.42 H new ATOM 0 HB3 ALA A 86 17.569 -0.311 34.414 1.00 1.42 H new ATOM 1325 N LYS A 87 20.437 -1.558 33.714 1.00 70.25 N ATOM 1326 CA LYS A 87 21.392 -2.488 34.304 1.00 2.14 C ATOM 1327 C LYS A 87 21.787 -3.570 33.305 1.00 64.31 C ATOM 1328 O LYS A 87 20.953 -4.061 32.545 1.00 41.32 O ATOM 1329 CB LYS A 87 20.800 -3.131 35.560 1.00 15.44 C ATOM 1330 CG LYS A 87 21.634 -4.274 36.110 1.00 5.15 C ATOM 1331 CD LYS A 87 22.994 -3.792 36.589 1.00 52.13 C ATOM 1332 CE LYS A 87 22.911 -3.181 37.979 1.00 21.23 C ATOM 1333 NZ LYS A 87 24.132 -3.464 38.783 1.00 23.50 N ATOM 0 H LYS A 87 19.885 -1.949 32.950 1.00 70.25 H new ATOM 0 HA LYS A 87 22.286 -1.927 34.577 1.00 2.14 H new ATOM 0 HB2 LYS A 87 20.691 -2.368 36.331 1.00 15.44 H new ATOM 0 HB3 LYS A 87 19.800 -3.499 35.332 1.00 15.44 H new ATOM 0 HG2 LYS A 87 21.103 -4.748 36.936 1.00 5.15 H new ATOM 0 HG3 LYS A 87 21.767 -5.033 35.339 1.00 5.15 H new ATOM 0 HD2 LYS A 87 23.694 -4.627 36.599 1.00 52.13 H new ATOM 0 HD3 LYS A 87 23.387 -3.055 35.889 1.00 52.13 H new ATOM 0 HE2 LYS A 87 22.774 -2.103 37.894 1.00 21.23 H new ATOM 0 HE3 LYS A 87 22.036 -3.574 38.497 1.00 21.23 H new ATOM 0 HZ1 LYS A 87 24.036 -3.031 39.724 1.00 23.50 H new ATOM 0 HZ2 LYS A 87 24.249 -4.492 38.886 1.00 23.50 H new ATOM 0 HZ3 LYS A 87 24.964 -3.067 38.302 1.00 23.50 H new ATOM 1347 N ALA A 88 23.064 -3.939 33.313 1.00 42.12 N ATOM 1348 CA ALA A 88 23.568 -4.966 32.409 1.00 5.35 C ATOM 1349 C ALA A 88 22.738 -6.241 32.509 1.00 53.40 C ATOM 1350 O ALA A 88 22.445 -6.719 33.605 1.00 62.11 O ATOM 1351 CB ALA A 88 25.030 -5.261 32.710 1.00 64.30 C ATOM 0 H ALA A 88 23.768 -3.542 33.935 1.00 42.12 H new ATOM 0 HA ALA A 88 23.486 -4.590 31.389 1.00 5.35 H new ATOM 0 HB1 ALA A 88 25.394 -6.029 32.028 1.00 64.30 H new ATOM 0 HB2 ALA A 88 25.619 -4.353 32.581 1.00 64.30 H new ATOM 0 HB3 ALA A 88 25.126 -5.612 33.737 1.00 64.30 H new ATOM 1357 N VAL A 89 22.359 -6.786 31.357 1.00 25.44 N ATOM 1358 CA VAL A 89 21.562 -8.006 31.315 1.00 23.50 C ATOM 1359 C VAL A 89 22.043 -8.939 30.209 1.00 43.00 C ATOM 1360 O VAL A 89 22.154 -8.540 29.051 1.00 42.14 O ATOM 1361 CB VAL A 89 20.070 -7.695 31.096 1.00 40.43 C ATOM 1362 CG1 VAL A 89 19.227 -8.944 31.302 1.00 43.01 C ATOM 1363 CG2 VAL A 89 19.618 -6.577 32.024 1.00 73.34 C ATOM 0 H VAL A 89 22.591 -6.402 30.441 1.00 25.44 H new ATOM 0 HA VAL A 89 21.685 -8.497 32.280 1.00 23.50 H new ATOM 0 HB VAL A 89 19.934 -7.361 30.068 1.00 40.43 H new ATOM 0 HG11 VAL A 89 18.176 -8.704 31.143 1.00 43.01 H new ATOM 0 HG12 VAL A 89 19.535 -9.712 30.593 1.00 43.01 H new ATOM 0 HG13 VAL A 89 19.365 -9.313 32.318 1.00 43.01 H new ATOM 0 HG21 VAL A 89 18.561 -6.370 31.856 1.00 73.34 H new ATOM 0 HG22 VAL A 89 19.768 -6.881 33.060 1.00 73.34 H new ATOM 0 HG23 VAL A 89 20.201 -5.678 31.822 1.00 73.34 H new ATOM 1373 N GLY A 90 22.328 -10.185 30.575 1.00 73.30 N ATOM 1374 CA GLY A 90 22.793 -11.156 29.602 1.00 24.20 C ATOM 1375 C GLY A 90 21.698 -12.107 29.162 1.00 50.24 C ATOM 1376 O GLY A 90 21.879 -12.878 28.220 1.00 52.32 O ATOM 0 H GLY A 90 22.245 -10.539 31.528 1.00 73.30 H new ATOM 0 HA2 GLY A 90 23.187 -10.633 28.731 1.00 24.20 H new ATOM 0 HA3 GLY A 90 23.617 -11.728 30.029 1.00 24.20 H new ATOM 1380 N GLU A 91 20.559 -12.053 29.846 1.00 64.13 N ATOM 1381 CA GLU A 91 19.432 -12.919 29.520 1.00 10.24 C ATOM 1382 C GLU A 91 18.397 -12.172 28.684 1.00 35.50 C ATOM 1383 O GLU A 91 18.398 -10.944 28.600 1.00 34.13 O ATOM 1384 CB GLU A 91 18.783 -13.451 30.800 1.00 51.31 C ATOM 1385 CG GLU A 91 19.217 -14.861 31.162 1.00 62.12 C ATOM 1386 CD GLU A 91 18.344 -15.483 32.234 1.00 23.14 C ATOM 1387 OE1 GLU A 91 18.370 -14.990 33.381 1.00 2.31 O ATOM 1388 OE2 GLU A 91 17.635 -16.464 31.926 1.00 12.32 O ATOM 0 H GLU A 91 20.393 -11.420 30.628 1.00 64.13 H new ATOM 0 HA GLU A 91 19.808 -13.759 28.936 1.00 10.24 H new ATOM 0 HB2 GLU A 91 19.026 -12.782 31.626 1.00 51.31 H new ATOM 0 HB3 GLU A 91 17.699 -13.432 30.683 1.00 51.31 H new ATOM 0 HG2 GLU A 91 19.190 -15.486 30.269 1.00 62.12 H new ATOM 0 HG3 GLU A 91 20.251 -14.842 31.507 1.00 62.12 H new ATOM 1395 N PRO A 92 17.491 -12.931 28.049 1.00 21.41 N ATOM 1396 CA PRO A 92 16.433 -12.364 27.208 1.00 60.22 C ATOM 1397 C PRO A 92 15.381 -11.619 28.023 1.00 45.13 C ATOM 1398 O PRO A 92 15.105 -11.973 29.169 1.00 11.21 O ATOM 1399 CB PRO A 92 15.816 -13.594 26.536 1.00 5.21 C ATOM 1400 CG PRO A 92 16.105 -14.719 27.469 1.00 73.33 C ATOM 1401 CD PRO A 92 17.430 -14.402 28.104 1.00 41.31 C ATOM 0 HA PRO A 92 16.822 -11.627 26.505 1.00 60.22 H new ATOM 0 HB2 PRO A 92 14.744 -13.468 26.388 1.00 5.21 H new ATOM 0 HB3 PRO A 92 16.255 -13.771 25.554 1.00 5.21 H new ATOM 0 HG2 PRO A 92 15.323 -14.811 28.223 1.00 73.33 H new ATOM 0 HG3 PRO A 92 16.146 -15.668 26.935 1.00 73.33 H new ATOM 0 HD2 PRO A 92 17.482 -14.768 29.129 1.00 41.31 H new ATOM 0 HD3 PRO A 92 18.256 -14.859 27.560 1.00 41.31 H new ATOM 1409 N TYR A 93 14.798 -10.587 27.424 1.00 43.50 N ATOM 1410 CA TYR A 93 13.778 -9.790 28.095 1.00 21.15 C ATOM 1411 C TYR A 93 12.494 -9.745 27.273 1.00 12.42 C ATOM 1412 O TYR A 93 12.473 -10.143 26.108 1.00 3.14 O ATOM 1413 CB TYR A 93 14.290 -8.370 28.341 1.00 10.24 C ATOM 1414 CG TYR A 93 15.251 -7.880 27.281 1.00 34.43 C ATOM 1415 CD1 TYR A 93 16.609 -8.163 27.363 1.00 73.21 C ATOM 1416 CD2 TYR A 93 14.801 -7.134 26.199 1.00 71.51 C ATOM 1417 CE1 TYR A 93 17.490 -7.718 26.397 1.00 4.42 C ATOM 1418 CE2 TYR A 93 15.675 -6.686 25.228 1.00 60.12 C ATOM 1419 CZ TYR A 93 17.019 -6.980 25.331 1.00 13.14 C ATOM 1420 OH TYR A 93 17.893 -6.534 24.367 1.00 51.21 O ATOM 0 H TYR A 93 15.014 -10.283 26.475 1.00 43.50 H new ATOM 0 HA TYR A 93 13.558 -10.260 29.053 1.00 21.15 H new ATOM 0 HB2 TYR A 93 13.440 -7.690 28.391 1.00 10.24 H new ATOM 0 HB3 TYR A 93 14.784 -8.334 29.312 1.00 10.24 H new ATOM 0 HD1 TYR A 93 16.982 -8.741 28.196 1.00 73.21 H new ATOM 0 HD2 TYR A 93 13.750 -6.900 26.116 1.00 71.51 H new ATOM 0 HE1 TYR A 93 18.543 -7.947 26.476 1.00 4.42 H new ATOM 0 HE2 TYR A 93 15.308 -6.108 24.392 1.00 60.12 H new ATOM 0 HH TYR A 93 17.969 -7.206 23.658 1.00 51.21 H new ATOM 1430 N LYS A 94 11.422 -9.255 27.888 1.00 25.32 N ATOM 1431 CA LYS A 94 10.133 -9.154 27.215 1.00 32.35 C ATOM 1432 C LYS A 94 9.813 -7.704 26.867 1.00 62.23 C ATOM 1433 O LYS A 94 10.181 -6.784 27.598 1.00 52.52 O ATOM 1434 CB LYS A 94 9.026 -9.733 28.100 1.00 22.10 C ATOM 1435 CG LYS A 94 7.753 -10.065 27.342 1.00 74.01 C ATOM 1436 CD LYS A 94 6.667 -9.033 27.597 1.00 33.32 C ATOM 1437 CE LYS A 94 5.918 -9.320 28.890 1.00 70.43 C ATOM 1438 NZ LYS A 94 5.170 -10.606 28.824 1.00 63.54 N ATOM 0 H LYS A 94 11.421 -8.922 28.852 1.00 25.32 H new ATOM 0 HA LYS A 94 10.188 -9.728 26.290 1.00 32.35 H new ATOM 0 HB2 LYS A 94 9.396 -10.636 28.586 1.00 22.10 H new ATOM 0 HB3 LYS A 94 8.793 -9.019 28.890 1.00 22.10 H new ATOM 0 HG2 LYS A 94 7.966 -10.114 26.274 1.00 74.01 H new ATOM 0 HG3 LYS A 94 7.397 -11.051 27.641 1.00 74.01 H new ATOM 0 HD2 LYS A 94 7.112 -8.039 27.646 1.00 33.32 H new ATOM 0 HD3 LYS A 94 5.966 -9.027 26.763 1.00 33.32 H new ATOM 0 HE2 LYS A 94 6.625 -9.353 29.719 1.00 70.43 H new ATOM 0 HE3 LYS A 94 5.223 -8.506 29.096 1.00 70.43 H new ATOM 0 HZ1 LYS A 94 4.382 -10.585 29.503 1.00 63.54 H new ATOM 0 HZ2 LYS A 94 4.796 -10.741 27.863 1.00 63.54 H new ATOM 0 HZ3 LYS A 94 5.809 -11.392 29.060 1.00 63.54 H new ATOM 1452 N LEU A 95 9.126 -7.508 25.747 1.00 12.51 N ATOM 1453 CA LEU A 95 8.755 -6.169 25.302 1.00 12.42 C ATOM 1454 C LEU A 95 7.239 -6.026 25.210 1.00 70.12 C ATOM 1455 O LEU A 95 6.535 -6.976 24.865 1.00 44.54 O ATOM 1456 CB LEU A 95 9.391 -5.867 23.944 1.00 13.32 C ATOM 1457 CG LEU A 95 9.296 -4.417 23.466 1.00 22.32 C ATOM 1458 CD1 LEU A 95 10.394 -4.115 22.458 1.00 2.14 C ATOM 1459 CD2 LEU A 95 7.926 -4.143 22.864 1.00 41.44 C ATOM 0 H LEU A 95 8.815 -8.259 25.131 1.00 12.51 H new ATOM 0 HA LEU A 95 9.125 -5.453 26.036 1.00 12.42 H new ATOM 0 HB2 LEU A 95 10.444 -6.146 23.988 1.00 13.32 H new ATOM 0 HB3 LEU A 95 8.923 -6.507 23.196 1.00 13.32 H new ATOM 0 HG LEU A 95 9.430 -3.761 24.326 1.00 22.32 H new ATOM 0 HD11 LEU A 95 10.311 -3.079 22.129 1.00 2.14 H new ATOM 0 HD12 LEU A 95 11.368 -4.271 22.923 1.00 2.14 H new ATOM 0 HD13 LEU A 95 10.292 -4.778 21.599 1.00 2.14 H new ATOM 0 HD21 LEU A 95 7.876 -3.107 22.529 1.00 41.44 H new ATOM 0 HD22 LEU A 95 7.762 -4.807 22.015 1.00 41.44 H new ATOM 0 HD23 LEU A 95 7.157 -4.319 23.616 1.00 41.44 H new ATOM 1471 N VAL A 96 6.742 -4.832 25.519 1.00 60.44 N ATOM 1472 CA VAL A 96 5.310 -4.564 25.467 1.00 12.01 C ATOM 1473 C VAL A 96 5.026 -3.219 24.808 1.00 2.34 C ATOM 1474 O VAL A 96 5.392 -2.167 25.336 1.00 73.32 O ATOM 1475 CB VAL A 96 4.686 -4.575 26.875 1.00 33.42 C ATOM 1476 CG1 VAL A 96 3.173 -4.443 26.790 1.00 11.10 C ATOM 1477 CG2 VAL A 96 5.077 -5.842 27.621 1.00 61.43 C ATOM 0 H VAL A 96 7.310 -4.036 25.808 1.00 60.44 H new ATOM 0 HA VAL A 96 4.861 -5.359 24.872 1.00 12.01 H new ATOM 0 HB VAL A 96 5.071 -3.720 27.430 1.00 33.42 H new ATOM 0 HG11 VAL A 96 2.750 -4.453 27.794 1.00 11.10 H new ATOM 0 HG12 VAL A 96 2.917 -3.505 26.297 1.00 11.10 H new ATOM 0 HG13 VAL A 96 2.767 -5.277 26.217 1.00 11.10 H new ATOM 0 HG21 VAL A 96 4.627 -5.833 28.614 1.00 61.43 H new ATOM 0 HG22 VAL A 96 4.722 -6.713 27.070 1.00 61.43 H new ATOM 0 HG23 VAL A 96 6.162 -5.889 27.714 1.00 61.43 H new ATOM 1487 N LEU A 97 4.372 -3.258 23.653 1.00 61.41 N ATOM 1488 CA LEU A 97 4.038 -2.042 22.921 1.00 51.34 C ATOM 1489 C LEU A 97 2.526 -1.869 22.812 1.00 63.40 C ATOM 1490 O LEU A 97 1.799 -2.825 22.540 1.00 71.31 O ATOM 1491 CB LEU A 97 4.660 -2.076 21.524 1.00 65.42 C ATOM 1492 CG LEU A 97 5.723 -1.015 21.236 1.00 20.10 C ATOM 1493 CD1 LEU A 97 5.122 0.379 21.324 1.00 4.24 C ATOM 1494 CD2 LEU A 97 6.892 -1.156 22.200 1.00 64.25 C ATOM 0 H LEU A 97 4.062 -4.119 23.203 1.00 61.41 H new ATOM 0 HA LEU A 97 4.444 -1.194 23.472 1.00 51.34 H new ATOM 0 HB2 LEU A 97 5.106 -3.059 21.370 1.00 65.42 H new ATOM 0 HB3 LEU A 97 3.861 -1.970 20.790 1.00 65.42 H new ATOM 0 HG LEU A 97 6.094 -1.165 20.222 1.00 20.10 H new ATOM 0 HD11 LEU A 97 5.893 1.121 21.116 1.00 4.24 H new ATOM 0 HD12 LEU A 97 4.319 0.476 20.594 1.00 4.24 H new ATOM 0 HD13 LEU A 97 4.723 0.541 22.325 1.00 4.24 H new ATOM 0 HD21 LEU A 97 7.639 -0.393 21.980 1.00 64.25 H new ATOM 0 HD22 LEU A 97 6.537 -1.032 23.223 1.00 64.25 H new ATOM 0 HD23 LEU A 97 7.339 -2.144 22.088 1.00 64.25 H new ATOM 1506 N THR A 98 2.059 -0.643 23.024 1.00 33.14 N ATOM 1507 CA THR A 98 0.634 -0.345 22.949 1.00 1.35 C ATOM 1508 C THR A 98 0.384 0.954 22.191 1.00 35.40 C ATOM 1509 O THR A 98 0.934 2.000 22.534 1.00 43.25 O ATOM 1510 CB THR A 98 0.009 -0.235 24.353 1.00 74.12 C ATOM 1511 OG1 THR A 98 0.598 -1.203 25.229 1.00 52.43 O ATOM 1512 CG2 THR A 98 -1.496 -0.448 24.293 1.00 75.35 C ATOM 0 H THR A 98 2.647 0.160 23.249 1.00 33.14 H new ATOM 0 HA THR A 98 0.165 -1.171 22.414 1.00 1.35 H new ATOM 0 HB THR A 98 0.204 0.767 24.736 1.00 74.12 H new ATOM 0 HG1 THR A 98 0.196 -1.125 26.120 1.00 52.43 H new ATOM 0 HG21 THR A 98 -1.915 -0.366 25.296 1.00 75.35 H new ATOM 0 HG22 THR A 98 -1.945 0.308 23.649 1.00 75.35 H new ATOM 0 HG23 THR A 98 -1.707 -1.439 23.891 1.00 75.35 H new ATOM 1520 N TYR A 99 -0.451 0.879 21.160 1.00 1.32 N ATOM 1521 CA TYR A 99 -0.773 2.049 20.352 1.00 51.31 C ATOM 1522 C TYR A 99 -2.272 2.331 20.375 1.00 13.42 C ATOM 1523 O TYR A 99 -3.088 1.412 20.313 1.00 52.20 O ATOM 1524 CB TYR A 99 -0.304 1.844 18.911 1.00 42.45 C ATOM 1525 CG TYR A 99 0.872 0.903 18.785 1.00 64.32 C ATOM 1526 CD1 TYR A 99 0.679 -0.465 18.637 1.00 63.41 C ATOM 1527 CD2 TYR A 99 2.177 1.381 18.815 1.00 74.42 C ATOM 1528 CE1 TYR A 99 1.751 -1.330 18.522 1.00 11.34 C ATOM 1529 CE2 TYR A 99 3.254 0.524 18.699 1.00 21.14 C ATOM 1530 CZ TYR A 99 3.036 -0.830 18.554 1.00 62.34 C ATOM 1531 OH TYR A 99 4.107 -1.687 18.440 1.00 71.21 O ATOM 0 H TYR A 99 -0.917 0.021 20.865 1.00 1.32 H new ATOM 0 HA TYR A 99 -0.253 2.907 20.778 1.00 51.31 H new ATOM 0 HB2 TYR A 99 -1.134 1.457 18.320 1.00 42.45 H new ATOM 0 HB3 TYR A 99 -0.033 2.810 18.485 1.00 42.45 H new ATOM 0 HD1 TYR A 99 -0.326 -0.859 18.611 1.00 63.41 H new ATOM 0 HD2 TYR A 99 2.352 2.440 18.931 1.00 74.42 H new ATOM 0 HE1 TYR A 99 1.583 -2.391 18.408 1.00 11.34 H new ATOM 0 HE2 TYR A 99 4.262 0.912 18.722 1.00 21.14 H new ATOM 0 HH TYR A 99 4.917 -1.173 18.240 1.00 71.21 H new ATOM 1541 N GLN A 100 -2.626 3.609 20.465 1.00 41.52 N ATOM 1542 CA GLN A 100 -4.027 4.014 20.497 1.00 65.45 C ATOM 1543 C GLN A 100 -4.192 5.443 19.992 1.00 52.24 C ATOM 1544 O GLN A 100 -3.558 6.368 20.497 1.00 11.23 O ATOM 1545 CB GLN A 100 -4.582 3.894 21.917 1.00 44.31 C ATOM 1546 CG GLN A 100 -5.963 4.507 22.084 1.00 44.21 C ATOM 1547 CD GLN A 100 -6.841 3.717 23.035 1.00 45.54 C ATOM 1548 OE1 GLN A 100 -6.397 3.298 24.104 1.00 70.11 O ATOM 1549 NE2 GLN A 100 -8.094 3.511 22.649 1.00 33.52 N ATOM 0 H GLN A 100 -1.962 4.382 20.517 1.00 41.52 H new ATOM 0 HA GLN A 100 -4.587 3.349 19.839 1.00 65.45 H new ATOM 0 HB2 GLN A 100 -4.625 2.841 22.193 1.00 44.31 H new ATOM 0 HB3 GLN A 100 -3.893 4.377 22.610 1.00 44.31 H new ATOM 0 HG2 GLN A 100 -5.861 5.528 22.453 1.00 44.21 H new ATOM 0 HG3 GLN A 100 -6.450 4.567 21.111 1.00 44.21 H new ATOM 0 HE21 GLN A 100 -8.419 3.877 21.754 1.00 33.52 H new ATOM 0 HE22 GLN A 100 -8.732 2.987 23.247 1.00 33.52 H new ATOM 1558 N GLY A 101 -5.049 5.616 18.990 1.00 52.42 N ATOM 1559 CA GLY A 101 -5.282 6.936 18.433 1.00 72.03 C ATOM 1560 C GLY A 101 -6.595 7.024 17.680 1.00 13.14 C ATOM 1561 O GLY A 101 -7.505 6.228 17.911 1.00 72.21 O ATOM 0 H GLY A 101 -5.586 4.866 18.554 1.00 52.42 H new ATOM 0 HA2 GLY A 101 -5.278 7.672 19.237 1.00 72.03 H new ATOM 0 HA3 GLY A 101 -4.463 7.193 17.761 1.00 72.03 H new ATOM 1565 N SER A 102 -6.695 7.996 16.779 1.00 11.13 N ATOM 1566 CA SER A 102 -7.909 8.189 15.994 1.00 1.15 C ATOM 1567 C SER A 102 -7.572 8.609 14.567 1.00 62.41 C ATOM 1568 O SER A 102 -6.431 8.956 14.263 1.00 22.34 O ATOM 1569 CB SER A 102 -8.803 9.243 16.650 1.00 12.11 C ATOM 1570 OG SER A 102 -9.950 8.648 17.233 1.00 25.02 O ATOM 0 H SER A 102 -5.950 8.662 16.574 1.00 11.13 H new ATOM 0 HA SER A 102 -8.444 7.240 15.958 1.00 1.15 H new ATOM 0 HB2 SER A 102 -8.239 9.778 17.414 1.00 12.11 H new ATOM 0 HB3 SER A 102 -9.109 9.978 15.906 1.00 12.11 H new ATOM 0 HG SER A 102 -10.669 8.604 16.569 1.00 25.02 H new ATOM 1576 N ALA A 103 -8.574 8.574 13.694 1.00 24.44 N ATOM 1577 CA ALA A 103 -8.385 8.952 12.299 1.00 33.43 C ATOM 1578 C ALA A 103 -8.631 10.443 12.097 1.00 73.25 C ATOM 1579 O ALA A 103 -9.582 11.003 12.640 1.00 15.10 O ATOM 1580 CB ALA A 103 -9.305 8.136 11.403 1.00 52.13 C ATOM 0 H ALA A 103 -9.525 8.288 13.928 1.00 24.44 H new ATOM 0 HA ALA A 103 -7.351 8.741 12.027 1.00 33.43 H new ATOM 0 HB1 ALA A 103 -9.154 8.428 10.364 1.00 52.13 H new ATOM 0 HB2 ALA A 103 -9.079 7.076 11.518 1.00 52.13 H new ATOM 0 HB3 ALA A 103 -10.342 8.318 11.684 1.00 52.13 H new ATOM 1586 N GLU A 104 -7.767 11.079 11.312 1.00 54.13 N ATOM 1587 CA GLU A 104 -7.892 12.506 11.040 1.00 44.35 C ATOM 1588 C GLU A 104 -9.258 12.830 10.443 1.00 74.40 C ATOM 1589 O GLU A 104 -9.720 13.969 10.503 1.00 62.21 O ATOM 1590 CB GLU A 104 -6.786 12.964 10.086 1.00 3.44 C ATOM 1591 CG GLU A 104 -5.902 14.059 10.661 1.00 63.41 C ATOM 1592 CD GLU A 104 -5.722 15.224 9.708 1.00 53.23 C ATOM 1593 OE1 GLU A 104 -5.521 14.978 8.500 1.00 11.41 O ATOM 1594 OE2 GLU A 104 -5.783 16.383 10.170 1.00 35.22 O ATOM 0 H GLU A 104 -6.974 10.629 10.854 1.00 54.13 H new ATOM 0 HA GLU A 104 -7.793 13.039 11.985 1.00 44.35 H new ATOM 0 HB2 GLU A 104 -6.165 12.107 9.825 1.00 3.44 H new ATOM 0 HB3 GLU A 104 -7.240 13.323 9.162 1.00 3.44 H new ATOM 0 HG2 GLU A 104 -6.337 14.420 11.593 1.00 63.41 H new ATOM 0 HG3 GLU A 104 -4.926 13.641 10.907 1.00 63.41 H new ATOM 1601 N ALA A 105 -9.900 11.818 9.867 1.00 13.32 N ATOM 1602 CA ALA A 105 -11.214 11.994 9.261 1.00 72.51 C ATOM 1603 C ALA A 105 -12.299 12.115 10.326 1.00 24.32 C ATOM 1604 O ALA A 105 -13.323 12.761 10.112 1.00 34.31 O ATOM 1605 CB ALA A 105 -11.521 10.836 8.322 1.00 1.12 C ATOM 0 H ALA A 105 -9.531 10.869 9.808 1.00 13.32 H new ATOM 0 HA ALA A 105 -11.201 12.920 8.687 1.00 72.51 H new ATOM 0 HB1 ALA A 105 -12.505 10.980 7.876 1.00 1.12 H new ATOM 0 HB2 ALA A 105 -10.768 10.797 7.535 1.00 1.12 H new ATOM 0 HB3 ALA A 105 -11.510 9.901 8.882 1.00 1.12 H new ATOM 1611 N GLY A 106 -12.066 11.488 11.476 1.00 64.14 N ATOM 1612 CA GLY A 106 -13.032 11.537 12.557 1.00 53.52 C ATOM 1613 C GLY A 106 -13.491 10.159 12.988 1.00 22.42 C ATOM 1614 O GLY A 106 -14.684 9.924 13.178 1.00 13.32 O ATOM 0 H GLY A 106 -11.225 10.947 11.677 1.00 64.14 H new ATOM 0 HA2 GLY A 106 -12.592 12.053 13.410 1.00 53.52 H new ATOM 0 HA3 GLY A 106 -13.896 12.122 12.242 1.00 53.52 H new ATOM 1618 N VAL A 107 -12.540 9.242 13.142 1.00 35.11 N ATOM 1619 CA VAL A 107 -12.853 7.878 13.553 1.00 1.43 C ATOM 1620 C VAL A 107 -12.064 7.485 14.797 1.00 63.11 C ATOM 1621 O VAL A 107 -10.903 7.866 14.954 1.00 11.13 O ATOM 1622 CB VAL A 107 -12.553 6.870 12.428 1.00 12.21 C ATOM 1623 CG1 VAL A 107 -12.710 5.444 12.933 1.00 54.00 C ATOM 1624 CG2 VAL A 107 -13.458 7.124 11.231 1.00 24.35 C ATOM 0 H VAL A 107 -11.547 9.419 12.988 1.00 35.11 H new ATOM 0 HA VAL A 107 -13.919 7.852 13.779 1.00 1.43 H new ATOM 0 HB VAL A 107 -11.520 7.004 12.108 1.00 12.21 H new ATOM 0 HG11 VAL A 107 -12.494 4.746 12.124 1.00 54.00 H new ATOM 0 HG12 VAL A 107 -12.017 5.271 13.756 1.00 54.00 H new ATOM 0 HG13 VAL A 107 -13.732 5.292 13.281 1.00 54.00 H new ATOM 0 HG21 VAL A 107 -13.233 6.403 10.445 1.00 24.35 H new ATOM 0 HG22 VAL A 107 -14.500 7.018 11.533 1.00 24.35 H new ATOM 0 HG23 VAL A 107 -13.290 8.134 10.856 1.00 24.35 H new ATOM 1634 N CYS A 108 -12.700 6.720 15.677 1.00 1.21 N ATOM 1635 CA CYS A 108 -12.057 6.274 16.908 1.00 12.53 C ATOM 1636 C CYS A 108 -12.005 4.752 16.974 1.00 71.42 C ATOM 1637 O CYS A 108 -13.040 4.086 17.021 1.00 51.25 O ATOM 1638 CB CYS A 108 -12.803 6.824 18.125 1.00 3.22 C ATOM 1639 SG CYS A 108 -14.592 6.570 18.072 1.00 70.42 S ATOM 0 H CYS A 108 -13.660 6.396 15.561 1.00 1.21 H new ATOM 0 HA CYS A 108 -11.036 6.655 16.914 1.00 12.53 H new ATOM 0 HB2 CYS A 108 -12.407 6.352 19.024 1.00 3.22 H new ATOM 0 HB3 CYS A 108 -12.601 7.892 18.209 1.00 3.22 H new ATOM 0 HG CYS A 108 -14.849 5.387 17.597 1.00 70.42 H new ATOM 1645 N TYR A 109 -10.794 4.206 16.975 1.00 31.03 N ATOM 1646 CA TYR A 109 -10.607 2.761 17.031 1.00 42.03 C ATOM 1647 C TYR A 109 -10.037 2.337 18.381 1.00 35.21 C ATOM 1648 O TYR A 109 -9.459 3.135 19.119 1.00 53.34 O ATOM 1649 CB TYR A 109 -9.677 2.303 15.906 1.00 21.30 C ATOM 1650 CG TYR A 109 -8.557 3.275 15.612 1.00 52.20 C ATOM 1651 CD1 TYR A 109 -8.754 4.354 14.759 1.00 51.30 C ATOM 1652 CD2 TYR A 109 -7.302 3.115 16.186 1.00 32.30 C ATOM 1653 CE1 TYR A 109 -7.734 5.245 14.487 1.00 41.13 C ATOM 1654 CE2 TYR A 109 -6.277 4.001 15.921 1.00 43.33 C ATOM 1655 CZ TYR A 109 -6.497 5.065 15.070 1.00 33.33 C ATOM 1656 OH TYR A 109 -5.478 5.949 14.802 1.00 2.24 O ATOM 0 H TYR A 109 -9.927 4.742 16.938 1.00 31.03 H new ATOM 0 HA TYR A 109 -11.581 2.289 16.904 1.00 42.03 H new ATOM 0 HB2 TYR A 109 -9.248 1.337 16.172 1.00 21.30 H new ATOM 0 HB3 TYR A 109 -10.264 2.153 15.000 1.00 21.30 H new ATOM 0 HD1 TYR A 109 -9.721 4.499 14.301 1.00 51.30 H new ATOM 0 HD2 TYR A 109 -7.125 2.283 16.851 1.00 32.30 H new ATOM 0 HE1 TYR A 109 -7.904 6.078 13.821 1.00 41.13 H new ATOM 0 HE2 TYR A 109 -5.308 3.862 16.377 1.00 43.33 H new ATOM 0 HH TYR A 109 -5.609 6.339 13.912 1.00 2.24 H new ATOM 1666 N PRO A 110 -10.204 1.048 18.714 1.00 42.14 N ATOM 1667 CA PRO A 110 -9.713 0.486 19.976 1.00 50.44 C ATOM 1668 C PRO A 110 -8.191 0.403 20.020 1.00 51.01 C ATOM 1669 O PRO A 110 -7.511 0.476 18.996 1.00 33.20 O ATOM 1670 CB PRO A 110 -10.326 -0.916 20.002 1.00 14.21 C ATOM 1671 CG PRO A 110 -10.554 -1.257 18.570 1.00 53.31 C ATOM 1672 CD PRO A 110 -10.883 0.040 17.883 1.00 74.21 C ATOM 0 HA PRO A 110 -9.989 1.103 20.832 1.00 50.44 H new ATOM 0 HB2 PRO A 110 -9.656 -1.632 20.478 1.00 14.21 H new ATOM 0 HB3 PRO A 110 -11.259 -0.930 20.565 1.00 14.21 H new ATOM 0 HG2 PRO A 110 -9.668 -1.717 18.132 1.00 53.31 H new ATOM 0 HG3 PRO A 110 -11.369 -1.973 18.464 1.00 53.31 H new ATOM 0 HD2 PRO A 110 -10.519 0.054 16.856 1.00 74.21 H new ATOM 0 HD3 PRO A 110 -11.959 0.211 17.842 1.00 74.21 H new ATOM 1680 N PRO A 111 -7.641 0.246 21.233 1.00 13.23 N ATOM 1681 CA PRO A 111 -6.193 0.148 21.440 1.00 53.44 C ATOM 1682 C PRO A 111 -5.618 -1.158 20.902 1.00 10.52 C ATOM 1683 O PRO A 111 -6.309 -2.175 20.846 1.00 64.12 O ATOM 1684 CB PRO A 111 -6.047 0.211 22.962 1.00 20.20 C ATOM 1685 CG PRO A 111 -7.349 -0.287 23.488 1.00 2.24 C ATOM 1686 CD PRO A 111 -8.391 0.152 22.497 1.00 30.41 C ATOM 0 HA PRO A 111 -5.652 0.934 20.914 1.00 53.44 H new ATOM 0 HB2 PRO A 111 -5.218 -0.408 23.306 1.00 20.20 H new ATOM 0 HB3 PRO A 111 -5.847 1.228 23.299 1.00 20.20 H new ATOM 0 HG2 PRO A 111 -7.340 -1.372 23.589 1.00 2.24 H new ATOM 0 HG3 PRO A 111 -7.553 0.124 24.477 1.00 2.24 H new ATOM 0 HD2 PRO A 111 -9.207 -0.567 22.427 1.00 30.41 H new ATOM 0 HD3 PRO A 111 -8.832 1.109 22.775 1.00 30.41 H new ATOM 1694 N VAL A 112 -4.349 -1.122 20.509 1.00 62.24 N ATOM 1695 CA VAL A 112 -3.680 -2.304 19.977 1.00 11.30 C ATOM 1696 C VAL A 112 -2.430 -2.637 20.784 1.00 73.42 C ATOM 1697 O VAL A 112 -1.443 -1.903 20.751 1.00 50.32 O ATOM 1698 CB VAL A 112 -3.288 -2.110 18.500 1.00 2.12 C ATOM 1699 CG1 VAL A 112 -2.825 -3.426 17.893 1.00 1.44 C ATOM 1700 CG2 VAL A 112 -4.452 -1.530 17.712 1.00 74.12 C ATOM 0 H VAL A 112 -3.763 -0.288 20.549 1.00 62.24 H new ATOM 0 HA VAL A 112 -4.388 -3.129 20.052 1.00 11.30 H new ATOM 0 HB VAL A 112 -2.459 -1.404 18.452 1.00 2.12 H new ATOM 0 HG11 VAL A 112 -2.552 -3.269 16.849 1.00 1.44 H new ATOM 0 HG12 VAL A 112 -1.959 -3.796 18.443 1.00 1.44 H new ATOM 0 HG13 VAL A 112 -3.631 -4.157 17.951 1.00 1.44 H new ATOM 0 HG21 VAL A 112 -4.157 -1.400 16.671 1.00 74.12 H new ATOM 0 HG22 VAL A 112 -5.303 -2.210 17.766 1.00 74.12 H new ATOM 0 HG23 VAL A 112 -4.732 -0.565 18.134 1.00 74.12 H new ATOM 1710 N ASP A 113 -2.480 -3.750 21.507 1.00 21.44 N ATOM 1711 CA ASP A 113 -1.351 -4.183 22.322 1.00 23.44 C ATOM 1712 C ASP A 113 -0.564 -5.286 21.620 1.00 54.44 C ATOM 1713 O ASP A 113 -1.144 -6.184 21.008 1.00 43.34 O ATOM 1714 CB ASP A 113 -1.838 -4.677 23.686 1.00 62.14 C ATOM 1715 CG ASP A 113 -2.869 -5.782 23.566 1.00 20.15 C ATOM 1716 OD1 ASP A 113 -3.960 -5.519 23.018 1.00 30.41 O ATOM 1717 OD2 ASP A 113 -2.585 -6.910 24.021 1.00 44.22 O ATOM 0 H ASP A 113 -3.290 -4.369 21.545 1.00 21.44 H new ATOM 0 HA ASP A 113 -0.692 -3.327 22.468 1.00 23.44 H new ATOM 0 HB2 ASP A 113 -0.987 -5.039 24.263 1.00 62.14 H new ATOM 0 HB3 ASP A 113 -2.267 -3.842 24.240 1.00 62.14 H new ATOM 1722 N THR A 114 0.760 -5.211 21.710 1.00 11.13 N ATOM 1723 CA THR A 114 1.626 -6.200 21.082 1.00 61.14 C ATOM 1724 C THR A 114 2.941 -6.341 21.840 1.00 51.10 C ATOM 1725 O THR A 114 3.652 -5.360 22.053 1.00 3.15 O ATOM 1726 CB THR A 114 1.928 -5.832 19.617 1.00 64.03 C ATOM 1727 OG1 THR A 114 1.301 -4.589 19.284 1.00 15.34 O ATOM 1728 CG2 THR A 114 1.440 -6.921 18.673 1.00 11.23 C ATOM 0 H THR A 114 1.256 -4.475 22.212 1.00 11.13 H new ATOM 0 HA THR A 114 1.092 -7.150 21.108 1.00 61.14 H new ATOM 0 HB THR A 114 3.008 -5.734 19.506 1.00 64.03 H new ATOM 0 HG1 THR A 114 1.363 -4.440 18.317 1.00 15.34 H new ATOM 0 HG21 THR A 114 1.664 -6.638 17.644 1.00 11.23 H new ATOM 0 HG22 THR A 114 1.942 -7.859 18.909 1.00 11.23 H new ATOM 0 HG23 THR A 114 0.363 -7.047 18.788 1.00 11.23 H new ATOM 1736 N GLU A 115 3.257 -7.567 22.244 1.00 64.31 N ATOM 1737 CA GLU A 115 4.488 -7.835 22.979 1.00 10.10 C ATOM 1738 C GLU A 115 5.523 -8.508 22.082 1.00 55.14 C ATOM 1739 O GLU A 115 5.184 -9.343 21.243 1.00 53.14 O ATOM 1740 CB GLU A 115 4.200 -8.718 24.195 1.00 0.10 C ATOM 1741 CG GLU A 115 3.491 -7.988 25.323 1.00 1.33 C ATOM 1742 CD GLU A 115 2.031 -7.719 25.017 1.00 14.51 C ATOM 1743 OE1 GLU A 115 1.225 -8.670 25.084 1.00 53.12 O ATOM 1744 OE2 GLU A 115 1.694 -6.555 24.711 1.00 71.41 O ATOM 0 H GLU A 115 2.678 -8.390 22.075 1.00 64.31 H new ATOM 0 HA GLU A 115 4.893 -6.881 23.318 1.00 10.10 H new ATOM 0 HB2 GLU A 115 3.590 -9.565 23.882 1.00 0.10 H new ATOM 0 HB3 GLU A 115 5.140 -9.123 24.570 1.00 0.10 H new ATOM 0 HG2 GLU A 115 3.564 -8.579 26.236 1.00 1.33 H new ATOM 0 HG3 GLU A 115 3.998 -7.042 25.514 1.00 1.33 H new ATOM 1751 N PHE A 116 6.786 -8.138 22.264 1.00 13.32 N ATOM 1752 CA PHE A 116 7.870 -8.704 21.471 1.00 45.43 C ATOM 1753 C PHE A 116 8.923 -9.347 22.369 1.00 71.22 C ATOM 1754 O PHE A 116 9.437 -8.715 23.292 1.00 61.42 O ATOM 1755 CB PHE A 116 8.516 -7.620 20.605 1.00 44.12 C ATOM 1756 CG PHE A 116 7.532 -6.858 19.764 1.00 32.33 C ATOM 1757 CD1 PHE A 116 6.639 -7.527 18.943 1.00 34.10 C ATOM 1758 CD2 PHE A 116 7.500 -5.473 19.795 1.00 60.40 C ATOM 1759 CE1 PHE A 116 5.731 -6.829 18.168 1.00 30.35 C ATOM 1760 CE2 PHE A 116 6.594 -4.770 19.023 1.00 25.31 C ATOM 1761 CZ PHE A 116 5.710 -5.449 18.208 1.00 53.01 C ATOM 0 H PHE A 116 7.084 -7.448 22.954 1.00 13.32 H new ATOM 0 HA PHE A 116 7.450 -9.474 20.824 1.00 45.43 H new ATOM 0 HB2 PHE A 116 9.049 -6.921 21.250 1.00 44.12 H new ATOM 0 HB3 PHE A 116 9.258 -8.081 19.953 1.00 44.12 H new ATOM 0 HD1 PHE A 116 6.652 -8.606 18.908 1.00 34.10 H new ATOM 0 HD2 PHE A 116 8.190 -4.937 20.429 1.00 60.40 H new ATOM 0 HE1 PHE A 116 5.040 -7.362 17.533 1.00 30.35 H new ATOM 0 HE2 PHE A 116 6.578 -3.691 19.057 1.00 25.31 H new ATOM 0 HZ PHE A 116 5.003 -4.901 17.603 1.00 53.01 H new ATOM 1771 N ASP A 117 9.237 -10.608 22.092 1.00 43.34 N ATOM 1772 CA ASP A 117 10.228 -11.338 22.873 1.00 25.11 C ATOM 1773 C ASP A 117 11.634 -11.097 22.331 1.00 53.33 C ATOM 1774 O ASP A 117 11.949 -11.481 21.204 1.00 51.30 O ATOM 1775 CB ASP A 117 9.915 -12.835 22.863 1.00 32.04 C ATOM 1776 CG ASP A 117 8.437 -13.118 23.051 1.00 23.22 C ATOM 1777 OD1 ASP A 117 7.938 -12.939 24.182 1.00 64.03 O ATOM 1778 OD2 ASP A 117 7.780 -13.520 22.068 1.00 41.21 O ATOM 0 H ASP A 117 8.819 -11.146 21.332 1.00 43.34 H new ATOM 0 HA ASP A 117 10.186 -10.972 23.899 1.00 25.11 H new ATOM 0 HB2 ASP A 117 10.248 -13.267 21.919 1.00 32.04 H new ATOM 0 HB3 ASP A 117 10.480 -13.327 23.655 1.00 32.04 H new ATOM 1783 N ILE A 118 12.473 -10.458 23.139 1.00 53.41 N ATOM 1784 CA ILE A 118 13.844 -10.165 22.740 1.00 73.24 C ATOM 1785 C ILE A 118 14.809 -11.218 23.275 1.00 55.30 C ATOM 1786 O ILE A 118 14.824 -11.510 24.471 1.00 42.01 O ATOM 1787 CB ILE A 118 14.290 -8.777 23.234 1.00 1.32 C ATOM 1788 CG1 ILE A 118 13.172 -7.753 23.026 1.00 32.45 C ATOM 1789 CG2 ILE A 118 15.556 -8.339 22.513 1.00 23.40 C ATOM 1790 CD1 ILE A 118 12.764 -7.589 21.579 1.00 20.31 C ATOM 0 H ILE A 118 12.227 -10.133 24.074 1.00 53.41 H new ATOM 0 HA ILE A 118 13.865 -10.177 21.650 1.00 73.24 H new ATOM 0 HB ILE A 118 14.506 -8.840 24.301 1.00 1.32 H new ATOM 0 HG12 ILE A 118 12.301 -8.054 23.609 1.00 32.45 H new ATOM 0 HG13 ILE A 118 13.497 -6.788 23.415 1.00 32.45 H new ATOM 0 HG21 ILE A 118 15.858 -7.356 22.873 1.00 23.40 H new ATOM 0 HG22 ILE A 118 16.352 -9.057 22.707 1.00 23.40 H new ATOM 0 HG23 ILE A 118 15.366 -8.290 21.441 1.00 23.40 H new ATOM 0 HD11 ILE A 118 11.968 -6.848 21.507 1.00 20.31 H new ATOM 0 HD12 ILE A 118 13.622 -7.257 20.994 1.00 20.31 H new ATOM 0 HD13 ILE A 118 12.408 -8.543 21.191 1.00 20.31 H new ATOM 1802 N PHE A 119 15.614 -11.783 22.382 1.00 71.02 N ATOM 1803 CA PHE A 119 16.584 -12.803 22.764 1.00 15.13 C ATOM 1804 C PHE A 119 17.739 -12.856 21.769 1.00 54.25 C ATOM 1805 O PHE A 119 18.346 -13.905 21.560 1.00 33.45 O ATOM 1806 CB PHE A 119 15.907 -14.173 22.851 1.00 3.44 C ATOM 1807 CG PHE A 119 14.839 -14.380 21.817 1.00 73.54 C ATOM 1808 CD1 PHE A 119 15.093 -14.126 20.479 1.00 55.15 C ATOM 1809 CD2 PHE A 119 13.580 -14.830 22.182 1.00 11.11 C ATOM 1810 CE1 PHE A 119 14.112 -14.316 19.524 1.00 75.54 C ATOM 1811 CE2 PHE A 119 12.595 -15.023 21.232 1.00 42.33 C ATOM 1812 CZ PHE A 119 12.861 -14.764 19.901 1.00 31.51 C ATOM 0 H PHE A 119 15.614 -11.552 21.388 1.00 71.02 H new ATOM 0 HA PHE A 119 16.984 -12.540 23.743 1.00 15.13 H new ATOM 0 HB2 PHE A 119 16.663 -14.951 22.742 1.00 3.44 H new ATOM 0 HB3 PHE A 119 15.470 -14.291 23.842 1.00 3.44 H new ATOM 0 HD1 PHE A 119 16.069 -13.775 20.179 1.00 55.15 H new ATOM 0 HD2 PHE A 119 13.366 -15.032 23.221 1.00 11.11 H new ATOM 0 HE1 PHE A 119 14.323 -14.114 18.484 1.00 75.54 H new ATOM 0 HE2 PHE A 119 11.619 -15.376 21.530 1.00 42.33 H new ATOM 0 HZ PHE A 119 12.092 -14.912 19.157 1.00 31.51 H new ATOM 1822 N GLY A 120 18.036 -11.714 21.155 1.00 71.33 N ATOM 1823 CA GLY A 120 19.116 -11.652 20.188 1.00 41.44 C ATOM 1824 C GLY A 120 18.625 -11.791 18.760 1.00 2.23 C ATOM 1825 O GLY A 120 18.333 -12.895 18.302 1.00 10.44 O ATOM 0 H GLY A 120 17.548 -10.832 21.310 1.00 71.33 H new ATOM 0 HA2 GLY A 120 19.643 -10.704 20.297 1.00 41.44 H new ATOM 0 HA3 GLY A 120 19.835 -12.443 20.400 1.00 41.44 H new ATOM 1829 N ASN A 121 18.533 -10.668 18.056 1.00 54.42 N ATOM 1830 CA ASN A 121 18.071 -10.669 16.672 1.00 22.03 C ATOM 1831 C ASN A 121 18.108 -9.261 16.085 1.00 33.32 C ATOM 1832 O ASN A 121 18.534 -9.062 14.949 1.00 60.35 O ATOM 1833 CB ASN A 121 16.651 -11.233 16.587 1.00 43.40 C ATOM 1834 CG ASN A 121 16.480 -12.196 15.428 1.00 3.13 C ATOM 1835 OD1 ASN A 121 16.452 -11.789 14.267 1.00 51.41 O ATOM 1836 ND2 ASN A 121 16.365 -13.482 15.740 1.00 10.41 N ATOM 0 H ASN A 121 18.772 -9.746 18.420 1.00 54.42 H new ATOM 0 HA ASN A 121 18.741 -11.303 16.091 1.00 22.03 H new ATOM 0 HB2 ASN A 121 16.410 -11.744 17.519 1.00 43.40 H new ATOM 0 HB3 ASN A 121 15.942 -10.412 16.481 1.00 43.40 H new ATOM 0 HD21 ASN A 121 16.248 -14.177 15.003 1.00 10.41 H new ATOM 0 HD22 ASN A 121 16.394 -13.774 16.717 1.00 10.41 H new ATOM 1843 N GLY A 122 17.658 -8.287 16.870 1.00 55.31 N ATOM 1844 CA GLY A 122 17.648 -6.910 16.411 1.00 13.12 C ATOM 1845 C GLY A 122 16.282 -6.473 15.919 1.00 44.42 C ATOM 1846 O GLY A 122 15.589 -5.705 16.587 1.00 41.52 O ATOM 0 H GLY A 122 17.300 -8.427 17.815 1.00 55.31 H new ATOM 0 HA2 GLY A 122 17.964 -6.257 17.224 1.00 13.12 H new ATOM 0 HA3 GLY A 122 18.375 -6.793 15.607 1.00 13.12 H new ATOM 1850 N THR A 123 15.894 -6.961 14.745 1.00 51.11 N ATOM 1851 CA THR A 123 14.604 -6.614 14.162 1.00 41.12 C ATOM 1852 C THR A 123 13.512 -7.564 14.639 1.00 73.03 C ATOM 1853 O THR A 123 13.700 -8.780 14.663 1.00 64.52 O ATOM 1854 CB THR A 123 14.657 -6.642 12.623 1.00 65.44 C ATOM 1855 OG1 THR A 123 16.014 -6.536 12.177 1.00 3.34 O ATOM 1856 CG2 THR A 123 13.834 -5.508 12.032 1.00 72.24 C ATOM 0 H THR A 123 16.455 -7.598 14.179 1.00 51.11 H new ATOM 0 HA THR A 123 14.370 -5.602 14.491 1.00 41.12 H new ATOM 0 HB THR A 123 14.237 -7.589 12.285 1.00 65.44 H new ATOM 0 HG1 THR A 123 16.039 -6.556 11.198 1.00 3.34 H new ATOM 0 HG21 THR A 123 13.887 -5.549 10.944 1.00 72.24 H new ATOM 0 HG22 THR A 123 12.796 -5.608 12.349 1.00 72.24 H new ATOM 0 HG23 THR A 123 14.229 -4.553 12.379 1.00 72.24 H new ATOM 1864 N TYR A 124 12.369 -7.002 15.017 1.00 41.12 N ATOM 1865 CA TYR A 124 11.246 -7.800 15.495 1.00 3.20 C ATOM 1866 C TYR A 124 9.921 -7.220 15.011 1.00 13.01 C ATOM 1867 O TYR A 124 9.786 -6.008 14.837 1.00 21.32 O ATOM 1868 CB TYR A 124 11.257 -7.870 17.023 1.00 65.10 C ATOM 1869 CG TYR A 124 12.537 -8.440 17.594 1.00 55.05 C ATOM 1870 CD1 TYR A 124 13.680 -7.658 17.705 1.00 72.42 C ATOM 1871 CD2 TYR A 124 12.601 -9.760 18.022 1.00 22.14 C ATOM 1872 CE1 TYR A 124 14.851 -8.175 18.225 1.00 75.43 C ATOM 1873 CE2 TYR A 124 13.767 -10.285 18.545 1.00 23.10 C ATOM 1874 CZ TYR A 124 14.889 -9.489 18.644 1.00 43.14 C ATOM 1875 OH TYR A 124 16.053 -10.007 19.163 1.00 23.25 O ATOM 0 H TYR A 124 12.196 -5.997 15.002 1.00 41.12 H new ATOM 0 HA TYR A 124 11.350 -8.807 15.091 1.00 3.20 H new ATOM 0 HB2 TYR A 124 11.104 -6.869 17.425 1.00 65.10 H new ATOM 0 HB3 TYR A 124 10.417 -8.479 17.357 1.00 65.10 H new ATOM 0 HD1 TYR A 124 13.653 -6.629 17.379 1.00 72.42 H new ATOM 0 HD2 TYR A 124 11.725 -10.386 17.945 1.00 22.14 H new ATOM 0 HE1 TYR A 124 15.731 -7.554 18.303 1.00 75.43 H new ATOM 0 HE2 TYR A 124 13.800 -11.313 18.874 1.00 23.10 H new ATOM 0 HH TYR A 124 16.001 -10.012 20.142 1.00 23.25 H new ATOM 1885 N HIS A 125 8.943 -8.095 14.796 1.00 41.41 N ATOM 1886 CA HIS A 125 7.626 -7.671 14.333 1.00 3.12 C ATOM 1887 C HIS A 125 6.535 -8.578 14.894 1.00 24.03 C ATOM 1888 O HIS A 125 6.768 -9.743 15.216 1.00 70.40 O ATOM 1889 CB HIS A 125 7.574 -7.675 12.805 1.00 34.41 C ATOM 1890 CG HIS A 125 8.249 -6.495 12.179 1.00 5.50 C ATOM 1891 ND1 HIS A 125 7.561 -5.400 11.700 1.00 61.13 N ATOM 1892 CD2 HIS A 125 9.560 -6.240 11.956 1.00 1.24 C ATOM 1893 CE1 HIS A 125 8.419 -4.524 11.208 1.00 72.02 C ATOM 1894 NE2 HIS A 125 9.639 -5.009 11.352 1.00 72.42 N ATOM 0 H HIS A 125 9.038 -9.101 14.935 1.00 41.41 H new ATOM 0 HA HIS A 125 7.451 -6.657 14.692 1.00 3.12 H new ATOM 0 HB2 HIS A 125 8.041 -8.588 12.436 1.00 34.41 H new ATOM 0 HB3 HIS A 125 6.532 -7.699 12.485 1.00 34.41 H new ATOM 0 HD2 HIS A 125 10.389 -6.885 12.207 1.00 1.24 H new ATOM 0 HE1 HIS A 125 8.166 -3.573 10.764 1.00 72.02 H new ATOM 0 HE2 HIS A 125 10.500 -4.545 11.062 1.00 72.42 H new ATOM 1902 N PRO A 126 5.316 -8.033 15.016 1.00 40.31 N ATOM 1903 CA PRO A 126 4.165 -8.775 15.539 1.00 63.34 C ATOM 1904 C PRO A 126 3.691 -9.861 14.578 1.00 3.14 C ATOM 1905 O PRO A 126 3.754 -9.695 13.361 1.00 42.23 O ATOM 1906 CB PRO A 126 3.091 -7.697 15.699 1.00 33.13 C ATOM 1907 CG PRO A 126 3.464 -6.640 14.718 1.00 64.51 C ATOM 1908 CD PRO A 126 4.967 -6.649 14.652 1.00 33.21 C ATOM 0 HA PRO A 126 4.404 -9.299 16.465 1.00 63.34 H new ATOM 0 HB2 PRO A 126 2.097 -8.095 15.493 1.00 33.13 H new ATOM 0 HB3 PRO A 126 3.073 -7.304 16.716 1.00 33.13 H new ATOM 0 HG2 PRO A 126 3.029 -6.844 13.740 1.00 64.51 H new ATOM 0 HG3 PRO A 126 3.093 -5.665 15.034 1.00 64.51 H new ATOM 0 HD2 PRO A 126 5.327 -6.393 13.656 1.00 33.21 H new ATOM 0 HD3 PRO A 126 5.404 -5.929 15.344 1.00 33.21 H new ATOM 1916 N GLN A 127 3.217 -10.971 15.135 1.00 41.21 N ATOM 1917 CA GLN A 127 2.733 -12.083 14.326 1.00 31.54 C ATOM 1918 C GLN A 127 1.208 -12.126 14.316 1.00 4.11 C ATOM 1919 O GLN A 127 0.601 -13.129 14.692 1.00 65.51 O ATOM 1920 CB GLN A 127 3.288 -13.406 14.857 1.00 61.42 C ATOM 1921 CG GLN A 127 4.761 -13.617 14.544 1.00 31.13 C ATOM 1922 CD GLN A 127 5.218 -15.036 14.818 1.00 63.34 C ATOM 1923 OE1 GLN A 127 4.411 -15.912 15.129 1.00 74.10 O ATOM 1924 NE2 GLN A 127 6.520 -15.272 14.702 1.00 0.42 N ATOM 0 H GLN A 127 3.158 -11.124 16.142 1.00 41.21 H new ATOM 0 HA GLN A 127 3.081 -11.934 13.304 1.00 31.54 H new ATOM 0 HB2 GLN A 127 3.146 -13.443 15.937 1.00 61.42 H new ATOM 0 HB3 GLN A 127 2.713 -14.229 14.431 1.00 61.42 H new ATOM 0 HG2 GLN A 127 4.944 -13.376 13.497 1.00 31.13 H new ATOM 0 HG3 GLN A 127 5.358 -12.926 15.139 1.00 31.13 H new ATOM 0 HE21 GLN A 127 7.154 -14.517 14.442 1.00 0.42 H new ATOM 0 HE22 GLN A 127 6.886 -16.209 14.873 1.00 0.42 H new ATOM 1933 N THR A 128 0.594 -11.029 13.884 1.00 74.33 N ATOM 1934 CA THR A 128 -0.860 -10.940 13.826 1.00 60.41 C ATOM 1935 C THR A 128 -1.392 -11.482 12.504 1.00 62.00 C ATOM 1936 O THR A 128 -0.725 -11.395 11.472 1.00 21.45 O ATOM 1937 CB THR A 128 -1.342 -9.488 14.004 1.00 65.15 C ATOM 1938 OG1 THR A 128 -0.222 -8.595 13.984 1.00 33.15 O ATOM 1939 CG2 THR A 128 -2.103 -9.327 15.310 1.00 14.42 C ATOM 0 H THR A 128 1.081 -10.190 13.569 1.00 74.33 H new ATOM 0 HA THR A 128 -1.246 -11.546 14.646 1.00 60.41 H new ATOM 0 HB THR A 128 -2.013 -9.247 13.180 1.00 65.15 H new ATOM 0 HG1 THR A 128 -0.536 -7.674 14.096 1.00 33.15 H new ATOM 0 HG21 THR A 128 -2.433 -8.293 15.414 1.00 14.42 H new ATOM 0 HG22 THR A 128 -2.971 -9.987 15.309 1.00 14.42 H new ATOM 0 HG23 THR A 128 -1.452 -9.585 16.145 1.00 14.42 H new