USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 45 MET CE :methyl 175:sc= -0.0826 (180deg=-0.202) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0.219 K(o=0.14,f=-1.5) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.341 K(o=0.34,f=-1.9!) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0.0796 USER MOD Set 3.2: A 26 GLN : amide:sc= 0.0875 X(o=0.17,f=0) USER MOD Single : A 2 THR OG1 : rot -160:sc= -0.211 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 8 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.31) USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= 1.31 (180deg=0.829) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 120:sc= -0.585 USER MOD Single : A 18 TYR OH : rot 106:sc= 0.381 USER MOD Single : A 21 GLN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0065) USER MOD Single : A 34 MET CE :methyl -155:sc= -0.224 (180deg=-0.49) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 42 SER OG : rot -40:sc= 0.0149 USER MOD Single : A 46 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 5:sc= 0.831 USER MOD Single : A 51 GLN : amide:sc=-0.00281 X(o=-0.0028,f=-0.23) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.37) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0.189 (180deg=0.189) USER MOD Single : A 72 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 75 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 76 GLN : amide:sc= -0.0347 K(o=-0.035,f=-0.58) USER MOD Single : A 77 THR OG1 : rot 152:sc= 0.165 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= -0.177 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.902 -1.373 -1.207 1.00 14.22 N ATOM 21 CA THR A 2 -10.745 -2.675 -1.872 1.00 62.55 C ATOM 22 C THR A 2 -9.356 -2.763 -2.548 1.00 74.34 C ATOM 23 O THR A 2 -8.638 -1.757 -2.613 1.00 75.54 O ATOM 24 CB THR A 2 -11.880 -2.867 -2.939 1.00 43.32 C ATOM 25 OG1 THR A 2 -11.837 -1.797 -3.901 1.00 2.20 O ATOM 26 CG2 THR A 2 -13.281 -2.895 -2.305 1.00 10.42 C ATOM 0 HA THR A 2 -10.821 -3.467 -1.127 1.00 62.55 H new ATOM 0 HB THR A 2 -11.701 -3.829 -3.420 1.00 43.32 H new ATOM 0 HG1 THR A 2 -12.702 -1.733 -4.358 1.00 2.20 H new ATOM 0 HG21 THR A 2 -14.031 -3.030 -3.085 1.00 10.42 H new ATOM 0 HG22 THR A 2 -13.343 -3.720 -1.596 1.00 10.42 H new ATOM 0 HG23 THR A 2 -13.464 -1.955 -1.785 1.00 10.42 H new ATOM 34 N GLY A 3 -8.983 -3.963 -3.048 1.00 64.30 N ATOM 35 CA GLY A 3 -7.765 -4.126 -3.873 1.00 73.51 C ATOM 36 C GLY A 3 -7.844 -3.347 -5.186 1.00 33.02 C ATOM 37 O GLY A 3 -6.817 -2.942 -5.747 1.00 52.21 O ATOM 0 H GLY A 3 -9.504 -4.827 -2.896 1.00 64.30 H new ATOM 0 HA2 GLY A 3 -6.897 -3.790 -3.306 1.00 73.51 H new ATOM 0 HA3 GLY A 3 -7.614 -5.184 -4.089 1.00 73.51 H new ATOM 41 N GLN A 4 -9.094 -3.151 -5.662 1.00 24.23 N ATOM 42 CA GLN A 4 -9.415 -2.260 -6.785 1.00 3.31 C ATOM 43 C GLN A 4 -9.007 -0.811 -6.454 1.00 33.33 C ATOM 44 O GLN A 4 -8.197 -0.210 -7.169 1.00 72.20 O ATOM 45 CB GLN A 4 -10.937 -2.336 -7.108 1.00 34.05 C ATOM 46 CG GLN A 4 -11.437 -1.312 -8.147 1.00 63.21 C ATOM 47 CD GLN A 4 -12.927 -1.449 -8.481 1.00 32.53 C ATOM 48 OE1 GLN A 4 -13.727 -1.893 -7.660 1.00 23.40 O ATOM 49 NE2 GLN A 4 -13.318 -1.033 -9.670 1.00 33.24 N ATOM 0 H GLN A 4 -9.913 -3.615 -5.269 1.00 24.23 H new ATOM 0 HA GLN A 4 -8.854 -2.584 -7.662 1.00 3.31 H new ATOM 0 HB2 GLN A 4 -11.166 -3.338 -7.469 1.00 34.05 H new ATOM 0 HB3 GLN A 4 -11.496 -2.195 -6.183 1.00 34.05 H new ATOM 0 HG2 GLN A 4 -11.249 -0.306 -7.772 1.00 63.21 H new ATOM 0 HG3 GLN A 4 -10.857 -1.424 -9.063 1.00 63.21 H new ATOM 0 HE21 GLN A 4 -12.634 -0.669 -10.333 1.00 33.24 H new ATOM 0 HE22 GLN A 4 -14.304 -1.075 -9.926 1.00 33.24 H new ATOM 58 N GLU A 5 -9.561 -0.282 -5.341 1.00 5.22 N ATOM 59 CA GLU A 5 -9.307 1.098 -4.873 1.00 32.12 C ATOM 60 C GLU A 5 -7.819 1.329 -4.567 1.00 43.15 C ATOM 61 O GLU A 5 -7.293 2.413 -4.827 1.00 44.52 O ATOM 62 CB GLU A 5 -10.151 1.397 -3.608 1.00 15.04 C ATOM 63 CG GLU A 5 -11.667 1.532 -3.835 1.00 25.03 C ATOM 64 CD GLU A 5 -12.430 1.675 -2.512 1.00 53.03 C ATOM 65 OE1 GLU A 5 -12.364 2.760 -1.883 1.00 21.45 O ATOM 66 OE2 GLU A 5 -13.040 0.680 -2.061 1.00 4.44 O ATOM 0 H GLU A 5 -10.200 -0.803 -4.740 1.00 5.22 H new ATOM 0 HA GLU A 5 -9.597 1.776 -5.676 1.00 32.12 H new ATOM 0 HB2 GLU A 5 -9.980 0.601 -2.883 1.00 15.04 H new ATOM 0 HB3 GLU A 5 -9.785 2.321 -3.160 1.00 15.04 H new ATOM 0 HG2 GLU A 5 -11.865 2.400 -4.464 1.00 25.03 H new ATOM 0 HG3 GLU A 5 -12.033 0.658 -4.373 1.00 25.03 H new ATOM 73 N LEU A 6 -7.166 0.296 -4.023 1.00 55.23 N ATOM 74 CA LEU A 6 -5.745 0.329 -3.655 1.00 43.24 C ATOM 75 C LEU A 6 -4.881 0.606 -4.898 1.00 75.22 C ATOM 76 O LEU A 6 -4.013 1.483 -4.869 1.00 43.25 O ATOM 77 CB LEU A 6 -5.358 -1.007 -2.967 1.00 44.12 C ATOM 78 CG LEU A 6 -3.872 -1.173 -2.510 1.00 0.32 C ATOM 79 CD1 LEU A 6 -3.420 -0.063 -1.530 1.00 41.00 C ATOM 80 CD2 LEU A 6 -3.659 -2.567 -1.895 1.00 21.44 C ATOM 0 H LEU A 6 -7.615 -0.598 -3.823 1.00 55.23 H new ATOM 0 HA LEU A 6 -5.564 1.138 -2.947 1.00 43.24 H new ATOM 0 HB2 LEU A 6 -5.996 -1.133 -2.092 1.00 44.12 H new ATOM 0 HB3 LEU A 6 -5.593 -1.821 -3.653 1.00 44.12 H new ATOM 0 HG LEU A 6 -3.248 -1.073 -3.398 1.00 0.32 H new ATOM 0 HD11 LEU A 6 -2.381 -0.229 -1.247 1.00 41.00 H new ATOM 0 HD12 LEU A 6 -3.513 0.909 -2.014 1.00 41.00 H new ATOM 0 HD13 LEU A 6 -4.047 -0.087 -0.639 1.00 41.00 H new ATOM 0 HD21 LEU A 6 -2.621 -2.671 -1.580 1.00 21.44 H new ATOM 0 HD22 LEU A 6 -4.313 -2.688 -1.032 1.00 21.44 H new ATOM 0 HD23 LEU A 6 -3.892 -3.331 -2.636 1.00 21.44 H new ATOM 92 N ARG A 7 -5.182 -0.104 -6.003 1.00 53.41 N ATOM 93 CA ARG A 7 -4.500 0.105 -7.297 1.00 15.21 C ATOM 94 C ARG A 7 -4.836 1.494 -7.860 1.00 1.12 C ATOM 95 O ARG A 7 -3.951 2.219 -8.315 1.00 71.33 O ATOM 96 CB ARG A 7 -4.906 -0.979 -8.320 1.00 45.10 C ATOM 97 CG ARG A 7 -4.040 -0.987 -9.600 1.00 64.21 C ATOM 98 CD ARG A 7 -4.399 -2.126 -10.567 1.00 73.44 C ATOM 99 NE ARG A 7 -3.493 -2.164 -11.726 1.00 53.02 N ATOM 100 CZ ARG A 7 -3.272 -3.233 -12.512 1.00 51.52 C ATOM 101 NH1 ARG A 7 -3.902 -4.391 -12.293 1.00 34.24 N ATOM 102 NH2 ARG A 7 -2.412 -3.127 -13.510 1.00 13.02 N ATOM 0 H ARG A 7 -5.897 -0.831 -6.025 1.00 53.41 H new ATOM 0 HA ARG A 7 -3.426 0.035 -7.123 1.00 15.21 H new ATOM 0 HB2 ARG A 7 -4.841 -1.957 -7.843 1.00 45.10 H new ATOM 0 HB3 ARG A 7 -5.949 -0.829 -8.599 1.00 45.10 H new ATOM 0 HG2 ARG A 7 -4.155 -0.033 -10.114 1.00 64.21 H new ATOM 0 HG3 ARG A 7 -2.990 -1.074 -9.320 1.00 64.21 H new ATOM 0 HD2 ARG A 7 -4.354 -3.079 -10.039 1.00 73.44 H new ATOM 0 HD3 ARG A 7 -5.425 -2.000 -10.912 1.00 73.44 H new ATOM 0 HE ARG A 7 -2.990 -1.306 -11.953 1.00 53.02 H new ATOM 0 HH11 ARG A 7 -4.562 -4.474 -11.520 1.00 34.24 H new ATOM 0 HH12 ARG A 7 -3.723 -5.192 -12.899 1.00 34.24 H new ATOM 0 HH21 ARG A 7 -1.928 -2.244 -13.674 1.00 13.02 H new ATOM 0 HH22 ARG A 7 -2.232 -3.928 -14.116 1.00 13.02 H new ATOM 116 N GLN A 8 -6.127 1.856 -7.789 1.00 14.51 N ATOM 117 CA GLN A 8 -6.645 3.140 -8.301 1.00 12.12 C ATOM 118 C GLN A 8 -6.078 4.337 -7.529 1.00 72.42 C ATOM 119 O GLN A 8 -6.085 5.444 -8.038 1.00 61.30 O ATOM 120 CB GLN A 8 -8.195 3.147 -8.248 1.00 1.41 C ATOM 121 CG GLN A 8 -8.872 2.194 -9.254 1.00 74.42 C ATOM 122 CD GLN A 8 -8.731 2.654 -10.702 1.00 70.55 C ATOM 123 OE1 GLN A 8 -9.591 3.356 -11.225 1.00 44.31 O ATOM 124 NE2 GLN A 8 -7.632 2.293 -11.340 1.00 33.20 N ATOM 0 H GLN A 8 -6.847 1.265 -7.373 1.00 14.51 H new ATOM 0 HA GLN A 8 -6.319 3.239 -9.336 1.00 12.12 H new ATOM 0 HB2 GLN A 8 -8.513 2.878 -7.241 1.00 1.41 H new ATOM 0 HB3 GLN A 8 -8.548 4.161 -8.433 1.00 1.41 H new ATOM 0 HG2 GLN A 8 -8.439 1.199 -9.151 1.00 74.42 H new ATOM 0 HG3 GLN A 8 -9.930 2.108 -9.008 1.00 74.42 H new ATOM 0 HE21 GLN A 8 -6.939 1.708 -10.872 1.00 33.20 H new ATOM 0 HE22 GLN A 8 -7.476 2.599 -12.300 1.00 33.20 H new ATOM 133 N LEU A 9 -5.613 4.098 -6.298 1.00 14.25 N ATOM 134 CA LEU A 9 -4.961 5.121 -5.462 1.00 23.23 C ATOM 135 C LEU A 9 -3.540 5.389 -5.989 1.00 62.41 C ATOM 136 O LEU A 9 -3.107 6.539 -6.079 1.00 42.04 O ATOM 137 CB LEU A 9 -4.946 4.634 -3.986 1.00 2.21 C ATOM 138 CG LEU A 9 -4.319 5.586 -2.918 1.00 22.11 C ATOM 139 CD1 LEU A 9 -4.976 6.986 -2.914 1.00 34.32 C ATOM 140 CD2 LEU A 9 -4.382 4.939 -1.515 1.00 41.51 C ATOM 0 H LEU A 9 -5.677 3.185 -5.848 1.00 14.25 H new ATOM 0 HA LEU A 9 -5.513 6.060 -5.507 1.00 23.23 H new ATOM 0 HB2 LEU A 9 -5.974 4.427 -3.690 1.00 2.21 H new ATOM 0 HB3 LEU A 9 -4.407 3.687 -3.950 1.00 2.21 H new ATOM 0 HG LEU A 9 -3.274 5.734 -3.191 1.00 22.11 H new ATOM 0 HD11 LEU A 9 -4.503 7.608 -2.154 1.00 34.32 H new ATOM 0 HD12 LEU A 9 -4.850 7.450 -3.892 1.00 34.32 H new ATOM 0 HD13 LEU A 9 -6.039 6.888 -2.693 1.00 34.32 H new ATOM 0 HD21 LEU A 9 -3.941 5.615 -0.782 1.00 41.51 H new ATOM 0 HD22 LEU A 9 -5.421 4.745 -1.250 1.00 41.51 H new ATOM 0 HD23 LEU A 9 -3.828 4.000 -1.522 1.00 41.51 H new ATOM 152 N LEU A 10 -2.853 4.304 -6.373 1.00 1.11 N ATOM 153 CA LEU A 10 -1.484 4.351 -6.929 1.00 73.31 C ATOM 154 C LEU A 10 -1.499 4.960 -8.354 1.00 52.33 C ATOM 155 O LEU A 10 -0.547 5.634 -8.770 1.00 20.14 O ATOM 156 CB LEU A 10 -0.895 2.914 -6.961 1.00 32.45 C ATOM 157 CG LEU A 10 -1.013 2.091 -5.634 1.00 30.23 C ATOM 158 CD1 LEU A 10 -0.576 0.631 -5.843 1.00 75.22 C ATOM 159 CD2 LEU A 10 -0.245 2.748 -4.469 1.00 54.13 C ATOM 0 H LEU A 10 -3.231 3.359 -6.308 1.00 1.11 H new ATOM 0 HA LEU A 10 -0.860 4.983 -6.297 1.00 73.31 H new ATOM 0 HB2 LEU A 10 -1.392 2.357 -7.755 1.00 32.45 H new ATOM 0 HB3 LEU A 10 0.159 2.981 -7.230 1.00 32.45 H new ATOM 0 HG LEU A 10 -2.066 2.088 -5.354 1.00 30.23 H new ATOM 0 HD11 LEU A 10 -0.669 0.085 -4.904 1.00 75.22 H new ATOM 0 HD12 LEU A 10 -1.210 0.166 -6.597 1.00 75.22 H new ATOM 0 HD13 LEU A 10 0.462 0.606 -6.176 1.00 75.22 H new ATOM 0 HD21 LEU A 10 -0.357 2.140 -3.571 1.00 54.13 H new ATOM 0 HD22 LEU A 10 0.811 2.824 -4.727 1.00 54.13 H new ATOM 0 HD23 LEU A 10 -0.646 3.745 -4.285 1.00 54.13 H new ATOM 171 N LEU A 11 -2.609 4.707 -9.080 1.00 30.33 N ATOM 172 CA LEU A 11 -2.822 5.183 -10.465 1.00 72.24 C ATOM 173 C LEU A 11 -3.311 6.643 -10.494 1.00 35.41 C ATOM 174 O LEU A 11 -2.963 7.396 -11.406 1.00 45.02 O ATOM 175 CB LEU A 11 -3.823 4.250 -11.203 1.00 13.11 C ATOM 176 CG LEU A 11 -3.321 2.791 -11.456 1.00 62.10 C ATOM 177 CD1 LEU A 11 -4.405 1.928 -12.137 1.00 10.43 C ATOM 178 CD2 LEU A 11 -2.011 2.789 -12.270 1.00 10.43 C ATOM 0 H LEU A 11 -3.391 4.161 -8.718 1.00 30.33 H new ATOM 0 HA LEU A 11 -1.864 5.152 -10.984 1.00 72.24 H new ATOM 0 HB2 LEU A 11 -4.745 4.203 -10.623 1.00 13.11 H new ATOM 0 HB3 LEU A 11 -4.073 4.701 -12.163 1.00 13.11 H new ATOM 0 HG LEU A 11 -3.112 2.342 -10.485 1.00 62.10 H new ATOM 0 HD11 LEU A 11 -4.021 0.921 -12.297 1.00 10.43 H new ATOM 0 HD12 LEU A 11 -5.288 1.882 -11.499 1.00 10.43 H new ATOM 0 HD13 LEU A 11 -4.673 2.371 -13.096 1.00 10.43 H new ATOM 0 HD21 LEU A 11 -1.684 1.762 -12.431 1.00 10.43 H new ATOM 0 HD22 LEU A 11 -2.180 3.271 -13.233 1.00 10.43 H new ATOM 0 HD23 LEU A 11 -1.241 3.332 -11.722 1.00 10.43 H new ATOM 190 N ASP A 12 -4.125 7.025 -9.499 1.00 71.13 N ATOM 191 CA ASP A 12 -4.625 8.413 -9.356 1.00 64.40 C ATOM 192 C ASP A 12 -3.476 9.352 -8.949 1.00 24.11 C ATOM 193 O ASP A 12 -3.367 10.477 -9.447 1.00 20.43 O ATOM 194 CB ASP A 12 -5.763 8.470 -8.298 1.00 41.15 C ATOM 195 CG ASP A 12 -6.479 9.833 -8.222 1.00 72.40 C ATOM 196 OD1 ASP A 12 -7.455 10.040 -8.975 1.00 13.03 O ATOM 197 OD2 ASP A 12 -6.080 10.700 -7.418 1.00 43.23 O ATOM 0 H ASP A 12 -4.457 6.391 -8.772 1.00 71.13 H new ATOM 0 HA ASP A 12 -5.024 8.741 -10.316 1.00 64.40 H new ATOM 0 HB2 ASP A 12 -6.497 7.697 -8.527 1.00 41.15 H new ATOM 0 HB3 ASP A 12 -5.347 8.234 -7.318 1.00 41.15 H new ATOM 202 N LYS A 13 -2.621 8.849 -8.044 1.00 74.22 N ATOM 203 CA LYS A 13 -1.533 9.621 -7.435 1.00 5.31 C ATOM 204 C LYS A 13 -0.316 9.720 -8.369 1.00 12.32 C ATOM 205 O LYS A 13 0.064 10.813 -8.800 1.00 25.10 O ATOM 206 CB LYS A 13 -1.130 8.969 -6.086 1.00 41.10 C ATOM 207 CG LYS A 13 -0.070 9.744 -5.280 1.00 0.21 C ATOM 208 CD LYS A 13 -0.547 11.139 -4.850 1.00 12.51 C ATOM 209 CE LYS A 13 0.533 11.922 -4.102 1.00 21.31 C ATOM 210 NZ LYS A 13 0.008 13.226 -3.636 1.00 74.43 N ATOM 0 H LYS A 13 -2.669 7.885 -7.713 1.00 74.22 H new ATOM 0 HA LYS A 13 -1.889 10.636 -7.259 1.00 5.31 H new ATOM 0 HB2 LYS A 13 -2.023 8.859 -5.471 1.00 41.10 H new ATOM 0 HB3 LYS A 13 -0.753 7.965 -6.283 1.00 41.10 H new ATOM 0 HG2 LYS A 13 0.198 9.168 -4.394 1.00 0.21 H new ATOM 0 HG3 LYS A 13 0.834 9.844 -5.881 1.00 0.21 H new ATOM 0 HD2 LYS A 13 -0.855 11.702 -5.731 1.00 12.51 H new ATOM 0 HD3 LYS A 13 -1.426 11.039 -4.213 1.00 12.51 H new ATOM 0 HE2 LYS A 13 0.886 11.341 -3.250 1.00 21.31 H new ATOM 0 HE3 LYS A 13 1.391 12.082 -4.755 1.00 21.31 H new ATOM 0 HZ1 LYS A 13 0.358 13.418 -2.676 1.00 74.43 H new ATOM 0 HZ2 LYS A 13 0.329 13.979 -4.278 1.00 74.43 H new ATOM 0 HZ3 LYS A 13 -1.032 13.198 -3.627 1.00 74.43 H new ATOM 224 N TRP A 14 0.296 8.566 -8.666 1.00 21.43 N ATOM 225 CA TRP A 14 1.582 8.504 -9.389 1.00 24.25 C ATOM 226 C TRP A 14 1.385 8.065 -10.853 1.00 51.14 C ATOM 227 O TRP A 14 2.154 8.465 -11.739 1.00 63.32 O ATOM 228 CB TRP A 14 2.544 7.542 -8.644 1.00 21.13 C ATOM 229 CG TRP A 14 2.853 7.977 -7.217 1.00 41.52 C ATOM 230 CD1 TRP A 14 3.476 9.130 -6.843 1.00 51.43 C ATOM 231 CD2 TRP A 14 2.561 7.275 -5.989 1.00 44.11 C ATOM 232 NE1 TRP A 14 3.588 9.196 -5.479 1.00 34.53 N ATOM 233 CE2 TRP A 14 3.035 8.078 -4.929 1.00 3.43 C ATOM 234 CE3 TRP A 14 1.939 6.063 -5.676 1.00 33.31 C ATOM 235 CZ2 TRP A 14 2.919 7.706 -3.591 1.00 34.12 C ATOM 236 CZ3 TRP A 14 1.826 5.698 -4.346 1.00 50.33 C ATOM 237 CH2 TRP A 14 2.316 6.513 -3.319 1.00 5.34 C ATOM 0 H TRP A 14 -0.080 7.652 -8.415 1.00 21.43 H new ATOM 0 HA TRP A 14 2.020 9.502 -9.412 1.00 24.25 H new ATOM 0 HB2 TRP A 14 2.105 6.545 -8.624 1.00 21.13 H new ATOM 0 HB3 TRP A 14 3.477 7.468 -9.203 1.00 21.13 H new ATOM 0 HD1 TRP A 14 3.832 9.886 -7.527 1.00 51.43 H new ATOM 0 HE1 TRP A 14 4.017 9.961 -4.958 1.00 34.53 H new ATOM 0 HE3 TRP A 14 1.554 5.424 -6.457 1.00 33.31 H new ATOM 0 HZ2 TRP A 14 3.292 8.338 -2.799 1.00 34.12 H new ATOM 0 HZ3 TRP A 14 1.349 4.762 -4.095 1.00 50.33 H new ATOM 0 HH2 TRP A 14 2.215 6.192 -2.293 1.00 5.34 H new ATOM 248 N GLY A 15 0.346 7.243 -11.096 1.00 74.31 N ATOM 249 CA GLY A 15 0.062 6.703 -12.437 1.00 64.23 C ATOM 250 C GLY A 15 0.791 5.402 -12.728 1.00 71.21 C ATOM 251 O GLY A 15 0.978 5.035 -13.895 1.00 63.45 O ATOM 0 H GLY A 15 -0.311 6.939 -10.378 1.00 74.31 H new ATOM 0 HA2 GLY A 15 -1.011 6.540 -12.536 1.00 64.23 H new ATOM 0 HA3 GLY A 15 0.342 7.444 -13.186 1.00 64.23 H new ATOM 255 N TYR A 16 1.211 4.700 -11.659 1.00 43.45 N ATOM 256 CA TYR A 16 1.935 3.416 -11.752 1.00 60.31 C ATOM 257 C TYR A 16 1.308 2.421 -10.783 1.00 51.01 C ATOM 258 O TYR A 16 0.975 2.783 -9.648 1.00 62.02 O ATOM 259 CB TYR A 16 3.436 3.578 -11.412 1.00 61.02 C ATOM 260 CG TYR A 16 4.213 4.539 -12.321 1.00 20.15 C ATOM 261 CD1 TYR A 16 4.266 5.910 -12.054 1.00 25.24 C ATOM 262 CD2 TYR A 16 4.882 4.077 -13.455 1.00 75.22 C ATOM 263 CE1 TYR A 16 4.956 6.771 -12.881 1.00 21.32 C ATOM 264 CE2 TYR A 16 5.570 4.941 -14.285 1.00 4.01 C ATOM 265 CZ TYR A 16 5.601 6.286 -13.994 1.00 32.52 C ATOM 266 OH TYR A 16 6.276 7.152 -14.831 1.00 33.22 O ATOM 0 H TYR A 16 1.057 5.009 -10.699 1.00 43.45 H new ATOM 0 HA TYR A 16 1.859 3.057 -12.778 1.00 60.31 H new ATOM 0 HB2 TYR A 16 3.523 3.927 -10.383 1.00 61.02 H new ATOM 0 HB3 TYR A 16 3.910 2.598 -11.458 1.00 61.02 H new ATOM 0 HD1 TYR A 16 3.758 6.302 -11.185 1.00 25.24 H new ATOM 0 HD2 TYR A 16 4.862 3.023 -13.689 1.00 75.22 H new ATOM 0 HE1 TYR A 16 4.990 7.826 -12.654 1.00 21.32 H new ATOM 0 HE2 TYR A 16 6.081 4.563 -15.158 1.00 4.01 H new ATOM 0 HH TYR A 16 6.677 6.647 -15.569 1.00 33.22 H new ATOM 276 N SER A 17 1.160 1.167 -11.234 1.00 0.33 N ATOM 277 CA SER A 17 0.615 0.084 -10.418 1.00 11.44 C ATOM 278 C SER A 17 1.745 -0.561 -9.581 1.00 51.43 C ATOM 279 O SER A 17 2.265 -1.621 -9.946 1.00 53.35 O ATOM 280 CB SER A 17 -0.082 -0.959 -11.330 1.00 52.41 C ATOM 281 OG SER A 17 -1.139 -0.385 -12.081 1.00 65.43 O ATOM 0 H SER A 17 1.417 0.879 -12.178 1.00 0.33 H new ATOM 0 HA SER A 17 -0.130 0.481 -9.728 1.00 11.44 H new ATOM 0 HB2 SER A 17 0.651 -1.394 -12.009 1.00 52.41 H new ATOM 0 HB3 SER A 17 -0.472 -1.773 -10.718 1.00 52.41 H new ATOM 0 HG SER A 17 -0.954 -0.489 -13.038 1.00 65.43 H new ATOM 287 N TYR A 18 2.132 0.105 -8.472 1.00 31.51 N ATOM 288 CA TYR A 18 3.191 -0.389 -7.553 1.00 23.14 C ATOM 289 C TYR A 18 2.676 -1.548 -6.680 1.00 40.55 C ATOM 290 O TYR A 18 1.490 -1.597 -6.348 1.00 10.21 O ATOM 291 CB TYR A 18 3.678 0.743 -6.616 1.00 10.33 C ATOM 292 CG TYR A 18 4.251 1.984 -7.314 1.00 2.45 C ATOM 293 CD1 TYR A 18 5.523 1.968 -7.892 1.00 74.51 C ATOM 294 CD2 TYR A 18 3.538 3.182 -7.352 1.00 22.54 C ATOM 295 CE1 TYR A 18 6.058 3.099 -8.477 1.00 64.34 C ATOM 296 CE2 TYR A 18 4.069 4.308 -7.943 1.00 32.35 C ATOM 297 CZ TYR A 18 5.326 4.265 -8.500 1.00 13.13 C ATOM 298 OH TYR A 18 5.854 5.394 -9.083 1.00 10.45 O ATOM 0 H TYR A 18 1.725 0.995 -8.186 1.00 31.51 H new ATOM 0 HA TYR A 18 4.014 -0.738 -8.176 1.00 23.14 H new ATOM 0 HB2 TYR A 18 2.843 1.055 -5.989 1.00 10.33 H new ATOM 0 HB3 TYR A 18 4.441 0.337 -5.952 1.00 10.33 H new ATOM 0 HD1 TYR A 18 6.099 1.054 -7.881 1.00 74.51 H new ATOM 0 HD2 TYR A 18 2.553 3.228 -6.911 1.00 22.54 H new ATOM 0 HE1 TYR A 18 7.045 3.069 -8.914 1.00 64.34 H new ATOM 0 HE2 TYR A 18 3.498 5.224 -7.969 1.00 32.35 H new ATOM 0 HH TYR A 18 5.409 5.558 -9.941 1.00 10.45 H new ATOM 308 N ASP A 19 3.562 -2.475 -6.287 1.00 70.44 N ATOM 309 CA ASP A 19 3.207 -3.486 -5.270 1.00 12.23 C ATOM 310 C ASP A 19 3.426 -2.891 -3.873 1.00 12.32 C ATOM 311 O ASP A 19 4.458 -2.271 -3.592 1.00 14.41 O ATOM 312 CB ASP A 19 3.990 -4.811 -5.443 1.00 53.21 C ATOM 313 CG ASP A 19 5.505 -4.708 -5.194 1.00 52.13 C ATOM 314 OD1 ASP A 19 6.202 -4.027 -5.975 1.00 52.43 O ATOM 315 OD2 ASP A 19 6.008 -5.325 -4.220 1.00 34.05 O ATOM 0 H ASP A 19 4.513 -2.549 -6.648 1.00 70.44 H new ATOM 0 HA ASP A 19 2.156 -3.742 -5.401 1.00 12.23 H new ATOM 0 HB2 ASP A 19 3.574 -5.553 -4.761 1.00 53.21 H new ATOM 0 HB3 ASP A 19 3.828 -5.182 -6.455 1.00 53.21 H new ATOM 320 N VAL A 20 2.423 -3.040 -3.017 1.00 31.11 N ATOM 321 CA VAL A 20 2.467 -2.547 -1.635 1.00 50.40 C ATOM 322 C VAL A 20 2.665 -3.744 -0.687 1.00 41.43 C ATOM 323 O VAL A 20 1.995 -4.776 -0.823 1.00 24.35 O ATOM 324 CB VAL A 20 1.160 -1.738 -1.299 1.00 13.35 C ATOM 325 CG1 VAL A 20 1.085 -0.417 -2.107 1.00 53.22 C ATOM 326 CG2 VAL A 20 -0.099 -2.584 -1.558 1.00 51.41 C ATOM 0 H VAL A 20 1.549 -3.508 -3.257 1.00 31.11 H new ATOM 0 HA VAL A 20 3.305 -1.861 -1.507 1.00 50.40 H new ATOM 0 HB VAL A 20 1.202 -1.489 -0.239 1.00 13.35 H new ATOM 0 HG11 VAL A 20 0.169 0.116 -1.850 1.00 53.22 H new ATOM 0 HG12 VAL A 20 1.947 0.206 -1.867 1.00 53.22 H new ATOM 0 HG13 VAL A 20 1.086 -0.642 -3.173 1.00 53.22 H new ATOM 0 HG21 VAL A 20 -0.986 -1.999 -1.317 1.00 51.41 H new ATOM 0 HG22 VAL A 20 -0.131 -2.877 -2.608 1.00 51.41 H new ATOM 0 HG23 VAL A 20 -0.072 -3.477 -0.933 1.00 51.41 H new ATOM 336 N GLN A 21 3.627 -3.625 0.241 1.00 62.23 N ATOM 337 CA GLN A 21 4.010 -4.725 1.154 1.00 43.32 C ATOM 338 C GLN A 21 4.062 -4.219 2.599 1.00 42.20 C ATOM 339 O GLN A 21 4.500 -3.096 2.850 1.00 52.52 O ATOM 340 CB GLN A 21 5.382 -5.329 0.737 1.00 14.14 C ATOM 341 CG GLN A 21 5.362 -6.127 -0.582 1.00 73.14 C ATOM 342 CD GLN A 21 6.731 -6.711 -0.947 1.00 45.31 C ATOM 343 OE1 GLN A 21 7.089 -7.804 -0.512 1.00 70.41 O ATOM 344 NE2 GLN A 21 7.490 -5.999 -1.755 1.00 72.34 N ATOM 0 H GLN A 21 4.163 -2.769 0.383 1.00 62.23 H new ATOM 0 HA GLN A 21 3.257 -5.510 1.087 1.00 43.32 H new ATOM 0 HB2 GLN A 21 6.107 -4.520 0.645 1.00 14.14 H new ATOM 0 HB3 GLN A 21 5.733 -5.982 1.536 1.00 14.14 H new ATOM 0 HG2 GLN A 21 4.637 -6.937 -0.500 1.00 73.14 H new ATOM 0 HG3 GLN A 21 5.023 -5.477 -1.389 1.00 73.14 H new ATOM 0 HE21 GLN A 21 7.163 -5.096 -2.098 1.00 72.34 H new ATOM 0 HE22 GLN A 21 8.405 -6.351 -2.038 1.00 72.34 H new ATOM 353 N PHE A 22 3.604 -5.066 3.537 1.00 45.22 N ATOM 354 CA PHE A 22 3.620 -4.762 4.978 1.00 15.42 C ATOM 355 C PHE A 22 5.049 -4.837 5.546 1.00 1.42 C ATOM 356 O PHE A 22 5.906 -5.552 5.020 1.00 54.12 O ATOM 357 CB PHE A 22 2.690 -5.740 5.739 1.00 33.22 C ATOM 358 CG PHE A 22 1.204 -5.527 5.451 1.00 5.31 C ATOM 359 CD1 PHE A 22 0.526 -4.440 6.012 1.00 43.41 C ATOM 360 CD2 PHE A 22 0.488 -6.399 4.634 1.00 33.44 C ATOM 361 CE1 PHE A 22 -0.815 -4.240 5.768 1.00 62.12 C ATOM 362 CE2 PHE A 22 -0.856 -6.195 4.392 1.00 54.13 C ATOM 363 CZ PHE A 22 -1.504 -5.116 4.958 1.00 72.31 C ATOM 0 H PHE A 22 3.212 -5.982 3.317 1.00 45.22 H new ATOM 0 HA PHE A 22 3.256 -3.744 5.114 1.00 15.42 H new ATOM 0 HB2 PHE A 22 2.959 -6.763 5.475 1.00 33.22 H new ATOM 0 HB3 PHE A 22 2.862 -5.632 6.810 1.00 33.22 H new ATOM 0 HD1 PHE A 22 1.061 -3.748 6.645 1.00 43.41 H new ATOM 0 HD2 PHE A 22 0.989 -7.244 4.185 1.00 33.44 H new ATOM 0 HE1 PHE A 22 -1.325 -3.398 6.211 1.00 62.12 H new ATOM 0 HE2 PHE A 22 -1.400 -6.880 3.759 1.00 54.13 H new ATOM 0 HZ PHE A 22 -2.555 -4.958 4.765 1.00 72.31 H new ATOM 373 N ARG A 23 5.278 -4.087 6.628 1.00 23.14 N ATOM 374 CA ARG A 23 6.541 -4.087 7.361 1.00 62.24 C ATOM 375 C ARG A 23 6.216 -3.948 8.841 1.00 35.11 C ATOM 376 O ARG A 23 5.859 -2.863 9.308 1.00 63.22 O ATOM 377 CB ARG A 23 7.472 -2.924 6.920 1.00 42.42 C ATOM 378 CG ARG A 23 8.868 -2.962 7.585 1.00 33.11 C ATOM 379 CD ARG A 23 9.761 -4.085 7.031 1.00 1.10 C ATOM 380 NE ARG A 23 10.105 -3.844 5.620 1.00 21.22 N ATOM 381 CZ ARG A 23 10.544 -4.762 4.739 1.00 14.11 C ATOM 382 NH1 ARG A 23 10.716 -6.042 5.088 1.00 14.43 N ATOM 383 NH2 ARG A 23 10.805 -4.373 3.497 1.00 33.14 N ATOM 0 H ARG A 23 4.580 -3.456 7.022 1.00 23.14 H new ATOM 0 HA ARG A 23 7.071 -5.017 7.154 1.00 62.24 H new ATOM 0 HB2 ARG A 23 7.594 -2.958 5.837 1.00 42.42 H new ATOM 0 HB3 ARG A 23 6.991 -1.975 7.157 1.00 42.42 H new ATOM 0 HG2 ARG A 23 9.363 -2.003 7.435 1.00 33.11 H new ATOM 0 HG3 ARG A 23 8.750 -3.095 8.660 1.00 33.11 H new ATOM 0 HD2 ARG A 23 10.673 -4.154 7.624 1.00 1.10 H new ATOM 0 HD3 ARG A 23 9.247 -5.042 7.125 1.00 1.10 H new ATOM 0 HE ARG A 23 10.001 -2.889 5.277 1.00 21.22 H new ATOM 0 HH11 ARG A 23 10.513 -6.342 6.041 1.00 14.43 H new ATOM 0 HH12 ARG A 23 11.050 -6.718 4.401 1.00 14.43 H new ATOM 0 HH21 ARG A 23 10.672 -3.398 3.229 1.00 33.14 H new ATOM 0 HH22 ARG A 23 11.139 -5.049 2.810 1.00 33.14 H new ATOM 397 N ARG A 24 6.317 -5.049 9.572 1.00 41.22 N ATOM 398 CA ARG A 24 6.066 -5.053 11.007 1.00 63.24 C ATOM 399 C ARG A 24 7.425 -5.098 11.697 1.00 31.43 C ATOM 400 O ARG A 24 8.031 -6.165 11.860 1.00 23.34 O ATOM 401 CB ARG A 24 5.145 -6.231 11.430 1.00 44.35 C ATOM 402 CG ARG A 24 4.669 -6.143 12.897 1.00 54.52 C ATOM 403 CD ARG A 24 3.740 -7.304 13.302 1.00 3.44 C ATOM 404 NE ARG A 24 4.419 -8.612 13.259 1.00 43.25 N ATOM 405 CZ ARG A 24 3.984 -9.740 13.852 1.00 31.24 C ATOM 406 NH1 ARG A 24 2.849 -9.770 14.551 1.00 71.40 N ATOM 407 NH2 ARG A 24 4.711 -10.843 13.752 1.00 14.23 N ATOM 0 H ARG A 24 6.574 -5.960 9.191 1.00 41.22 H new ATOM 0 HA ARG A 24 5.527 -4.154 11.305 1.00 63.24 H new ATOM 0 HB2 ARG A 24 4.275 -6.255 10.774 1.00 44.35 H new ATOM 0 HB3 ARG A 24 5.679 -7.170 11.285 1.00 44.35 H new ATOM 0 HG2 ARG A 24 5.538 -6.135 13.555 1.00 54.52 H new ATOM 0 HG3 ARG A 24 4.147 -5.198 13.047 1.00 54.52 H new ATOM 0 HD2 ARG A 24 3.361 -7.128 14.309 1.00 3.44 H new ATOM 0 HD3 ARG A 24 2.877 -7.324 12.636 1.00 3.44 H new ATOM 0 HE ARG A 24 5.293 -8.667 12.735 1.00 43.25 H new ATOM 0 HH11 ARG A 24 2.287 -8.924 14.647 1.00 71.40 H new ATOM 0 HH12 ARG A 24 2.543 -10.638 14.990 1.00 71.40 H new ATOM 0 HH21 ARG A 24 5.588 -10.830 13.231 1.00 14.23 H new ATOM 0 HH22 ARG A 24 4.394 -11.705 14.196 1.00 14.23 H new ATOM 421 N THR A 25 7.916 -3.907 12.044 1.00 61.43 N ATOM 422 CA THR A 25 9.216 -3.722 12.696 1.00 53.10 C ATOM 423 C THR A 25 9.017 -2.865 13.953 1.00 74.55 C ATOM 424 O THR A 25 8.208 -1.925 13.954 1.00 54.15 O ATOM 425 CB THR A 25 10.276 -3.079 11.732 1.00 71.34 C ATOM 426 OG1 THR A 25 11.548 -2.969 12.397 1.00 44.55 O ATOM 427 CG2 THR A 25 9.847 -1.698 11.208 1.00 1.53 C ATOM 0 H THR A 25 7.417 -3.033 11.879 1.00 61.43 H new ATOM 0 HA THR A 25 9.612 -4.699 12.974 1.00 53.10 H new ATOM 0 HB THR A 25 10.358 -3.741 10.870 1.00 71.34 H new ATOM 0 HG1 THR A 25 12.202 -2.568 11.787 1.00 44.55 H new ATOM 0 HG21 THR A 25 10.619 -1.304 10.547 1.00 1.53 H new ATOM 0 HG22 THR A 25 8.911 -1.793 10.657 1.00 1.53 H new ATOM 0 HG23 THR A 25 9.706 -1.018 12.048 1.00 1.53 H new ATOM 435 N GLN A 26 9.725 -3.252 15.036 1.00 72.02 N ATOM 436 CA GLN A 26 9.636 -2.627 16.383 1.00 62.23 C ATOM 437 C GLN A 26 8.237 -2.833 17.023 1.00 42.11 C ATOM 438 O GLN A 26 7.945 -2.260 18.073 1.00 53.25 O ATOM 439 CB GLN A 26 10.016 -1.106 16.351 1.00 42.13 C ATOM 440 CG GLN A 26 11.295 -0.747 15.551 1.00 21.53 C ATOM 441 CD GLN A 26 12.545 -1.530 15.970 1.00 51.44 C ATOM 442 OE1 GLN A 26 13.272 -1.125 16.877 1.00 1.31 O ATOM 443 NE2 GLN A 26 12.826 -2.635 15.287 1.00 35.43 N ATOM 0 H GLN A 26 10.390 -4.024 15.002 1.00 72.02 H new ATOM 0 HA GLN A 26 10.368 -3.136 17.010 1.00 62.23 H new ATOM 0 HB2 GLN A 26 9.178 -0.550 15.929 1.00 42.13 H new ATOM 0 HB3 GLN A 26 10.143 -0.761 17.377 1.00 42.13 H new ATOM 0 HG2 GLN A 26 11.108 -0.924 14.492 1.00 21.53 H new ATOM 0 HG3 GLN A 26 11.493 0.319 15.666 1.00 21.53 H new ATOM 0 HE21 GLN A 26 12.204 -2.945 14.541 1.00 35.43 H new ATOM 0 HE22 GLN A 26 13.664 -3.173 15.509 1.00 35.43 H new ATOM 452 N GLY A 27 7.396 -3.683 16.389 1.00 61.34 N ATOM 453 CA GLY A 27 6.020 -3.934 16.825 1.00 35.42 C ATOM 454 C GLY A 27 5.003 -3.085 16.083 1.00 71.02 C ATOM 455 O GLY A 27 3.794 -3.286 16.234 1.00 41.23 O ATOM 0 H GLY A 27 7.663 -4.212 15.558 1.00 61.34 H new ATOM 0 HA2 GLY A 27 5.784 -4.988 16.677 1.00 35.42 H new ATOM 0 HA3 GLY A 27 5.941 -3.736 17.894 1.00 35.42 H new ATOM 459 N LYS A 28 5.490 -2.146 15.259 1.00 75.20 N ATOM 460 CA LYS A 28 4.639 -1.228 14.489 1.00 13.44 C ATOM 461 C LYS A 28 4.513 -1.715 13.042 1.00 63.10 C ATOM 462 O LYS A 28 5.501 -2.157 12.443 1.00 1.01 O ATOM 463 CB LYS A 28 5.259 0.186 14.505 1.00 13.42 C ATOM 464 CG LYS A 28 5.391 0.815 15.908 1.00 52.14 C ATOM 465 CD LYS A 28 6.248 2.095 15.887 1.00 51.34 C ATOM 466 CE LYS A 28 6.292 2.809 17.247 1.00 10.04 C ATOM 467 NZ LYS A 28 6.890 1.961 18.310 1.00 22.21 N ATOM 0 H LYS A 28 6.488 -2.002 15.108 1.00 75.20 H new ATOM 0 HA LYS A 28 3.648 -1.198 14.942 1.00 13.44 H new ATOM 0 HB2 LYS A 28 6.247 0.140 14.048 1.00 13.42 H new ATOM 0 HB3 LYS A 28 4.650 0.842 13.883 1.00 13.42 H new ATOM 0 HG2 LYS A 28 4.399 1.049 16.296 1.00 52.14 H new ATOM 0 HG3 LYS A 28 5.837 0.091 16.590 1.00 52.14 H new ATOM 0 HD2 LYS A 28 7.263 1.841 15.583 1.00 51.34 H new ATOM 0 HD3 LYS A 28 5.852 2.779 15.136 1.00 51.34 H new ATOM 0 HE2 LYS A 28 6.868 3.730 17.153 1.00 10.04 H new ATOM 0 HE3 LYS A 28 5.281 3.094 17.538 1.00 10.04 H new ATOM 0 HZ1 LYS A 28 6.929 2.497 19.200 1.00 22.21 H new ATOM 0 HZ2 LYS A 28 6.308 1.110 18.444 1.00 22.21 H new ATOM 0 HZ3 LYS A 28 7.852 1.682 18.031 1.00 22.21 H new ATOM 481 N ILE A 29 3.296 -1.608 12.486 1.00 32.42 N ATOM 482 CA ILE A 29 2.994 -2.066 11.119 1.00 54.52 C ATOM 483 C ILE A 29 2.982 -0.850 10.153 1.00 63.01 C ATOM 484 O ILE A 29 2.372 0.198 10.438 1.00 11.33 O ATOM 485 CB ILE A 29 1.636 -2.888 11.082 1.00 3.44 C ATOM 486 CG1 ILE A 29 1.382 -3.539 9.681 1.00 51.31 C ATOM 487 CG2 ILE A 29 0.419 -2.045 11.526 1.00 24.44 C ATOM 488 CD1 ILE A 29 2.420 -4.569 9.261 1.00 10.30 C ATOM 0 H ILE A 29 2.495 -1.203 12.969 1.00 32.42 H new ATOM 0 HA ILE A 29 3.774 -2.749 10.784 1.00 54.52 H new ATOM 0 HB ILE A 29 1.753 -3.692 11.808 1.00 3.44 H new ATOM 0 HG12 ILE A 29 0.401 -4.014 9.689 1.00 51.31 H new ATOM 0 HG13 ILE A 29 1.348 -2.750 8.930 1.00 51.31 H new ATOM 0 HG21 ILE A 29 -0.483 -2.656 11.482 1.00 24.44 H new ATOM 0 HG22 ILE A 29 0.571 -1.696 12.547 1.00 24.44 H new ATOM 0 HG23 ILE A 29 0.309 -1.187 10.862 1.00 24.44 H new ATOM 0 HD11 ILE A 29 2.162 -4.966 8.279 1.00 10.30 H new ATOM 0 HD12 ILE A 29 3.402 -4.098 9.216 1.00 10.30 H new ATOM 0 HD13 ILE A 29 2.440 -5.382 9.987 1.00 10.30 H new ATOM 500 N PHE A 30 3.719 -0.994 9.041 1.00 0.25 N ATOM 501 CA PHE A 30 3.905 0.052 8.016 1.00 41.14 C ATOM 502 C PHE A 30 3.578 -0.545 6.647 1.00 42.35 C ATOM 503 O PHE A 30 4.088 -1.614 6.322 1.00 5.15 O ATOM 504 CB PHE A 30 5.381 0.560 7.988 1.00 2.14 C ATOM 505 CG PHE A 30 5.896 1.143 9.306 1.00 22.20 C ATOM 506 CD1 PHE A 30 5.699 2.487 9.626 1.00 23.14 C ATOM 507 CD2 PHE A 30 6.591 0.344 10.224 1.00 50.03 C ATOM 508 CE1 PHE A 30 6.172 3.016 10.816 1.00 52.22 C ATOM 509 CE2 PHE A 30 7.061 0.874 11.412 1.00 53.45 C ATOM 510 CZ PHE A 30 6.854 2.207 11.707 1.00 2.24 C ATOM 0 H PHE A 30 4.214 -1.858 8.822 1.00 0.25 H new ATOM 0 HA PHE A 30 3.249 0.890 8.253 1.00 41.14 H new ATOM 0 HB2 PHE A 30 6.028 -0.268 7.699 1.00 2.14 H new ATOM 0 HB3 PHE A 30 5.472 1.321 7.213 1.00 2.14 H new ATOM 0 HD1 PHE A 30 5.169 3.125 8.935 1.00 23.14 H new ATOM 0 HD2 PHE A 30 6.762 -0.699 10.001 1.00 50.03 H new ATOM 0 HE1 PHE A 30 6.009 4.058 11.048 1.00 52.22 H new ATOM 0 HE2 PHE A 30 7.591 0.244 12.111 1.00 53.45 H new ATOM 0 HZ PHE A 30 7.225 2.618 12.634 1.00 2.24 H new ATOM 520 N LEU A 31 2.745 0.127 5.843 1.00 44.55 N ATOM 521 CA LEU A 31 2.528 -0.294 4.448 1.00 31.42 C ATOM 522 C LEU A 31 3.526 0.441 3.543 1.00 62.34 C ATOM 523 O LEU A 31 3.329 1.606 3.206 1.00 33.12 O ATOM 524 CB LEU A 31 1.081 -0.045 3.948 1.00 75.31 C ATOM 525 CG LEU A 31 0.812 -0.616 2.513 1.00 43.33 C ATOM 526 CD1 LEU A 31 0.913 -2.155 2.509 1.00 51.54 C ATOM 527 CD2 LEU A 31 -0.533 -0.132 1.938 1.00 74.42 C ATOM 0 H LEU A 31 2.216 0.952 6.126 1.00 44.55 H new ATOM 0 HA LEU A 31 2.686 -1.372 4.407 1.00 31.42 H new ATOM 0 HB2 LEU A 31 0.379 -0.498 4.649 1.00 75.31 H new ATOM 0 HB3 LEU A 31 0.884 1.027 3.947 1.00 75.31 H new ATOM 0 HG LEU A 31 1.588 -0.226 1.854 1.00 43.33 H new ATOM 0 HD11 LEU A 31 0.723 -2.530 1.503 1.00 51.54 H new ATOM 0 HD12 LEU A 31 1.912 -2.455 2.825 1.00 51.54 H new ATOM 0 HD13 LEU A 31 0.176 -2.570 3.196 1.00 51.54 H new ATOM 0 HD21 LEU A 31 -0.676 -0.553 0.943 1.00 74.42 H new ATOM 0 HD22 LEU A 31 -1.345 -0.456 2.589 1.00 74.42 H new ATOM 0 HD23 LEU A 31 -0.531 0.956 1.875 1.00 74.42 H new ATOM 539 N GLN A 32 4.608 -0.244 3.180 1.00 13.14 N ATOM 540 CA GLN A 32 5.658 0.318 2.330 1.00 73.22 C ATOM 541 C GLN A 32 5.340 0.078 0.843 1.00 25.52 C ATOM 542 O GLN A 32 5.415 -1.061 0.354 1.00 73.43 O ATOM 543 CB GLN A 32 7.025 -0.286 2.731 1.00 21.12 C ATOM 544 CG GLN A 32 7.377 -0.049 4.217 1.00 2.04 C ATOM 545 CD GLN A 32 8.804 -0.445 4.592 1.00 50.32 C ATOM 546 OE1 GLN A 32 9.383 -1.369 4.018 1.00 23.41 O ATOM 547 NE2 GLN A 32 9.373 0.245 5.564 1.00 0.52 N ATOM 0 H GLN A 32 4.783 -1.207 3.467 1.00 13.14 H new ATOM 0 HA GLN A 32 5.705 1.397 2.476 1.00 73.22 H new ATOM 0 HB2 GLN A 32 7.015 -1.358 2.532 1.00 21.12 H new ATOM 0 HB3 GLN A 32 7.805 0.147 2.105 1.00 21.12 H new ATOM 0 HG2 GLN A 32 7.231 1.006 4.450 1.00 2.04 H new ATOM 0 HG3 GLN A 32 6.680 -0.612 4.838 1.00 2.04 H new ATOM 0 HE21 GLN A 32 8.863 1.004 6.017 1.00 0.52 H new ATOM 0 HE22 GLN A 32 10.322 0.019 5.862 1.00 0.52 H new ATOM 556 N VAL A 33 4.940 1.162 0.159 1.00 50.00 N ATOM 557 CA VAL A 33 4.712 1.180 -1.292 1.00 51.23 C ATOM 558 C VAL A 33 6.074 1.092 -2.013 1.00 75.42 C ATOM 559 O VAL A 33 6.876 2.032 -1.924 1.00 32.00 O ATOM 560 CB VAL A 33 3.953 2.492 -1.744 1.00 32.32 C ATOM 561 CG1 VAL A 33 3.600 2.453 -3.250 1.00 33.10 C ATOM 562 CG2 VAL A 33 2.694 2.737 -0.878 1.00 21.23 C ATOM 0 H VAL A 33 4.764 2.062 0.606 1.00 50.00 H new ATOM 0 HA VAL A 33 4.086 0.327 -1.556 1.00 51.23 H new ATOM 0 HB VAL A 33 4.630 3.332 -1.590 1.00 32.32 H new ATOM 0 HG11 VAL A 33 3.079 3.370 -3.526 1.00 33.10 H new ATOM 0 HG12 VAL A 33 4.515 2.365 -3.836 1.00 33.10 H new ATOM 0 HG13 VAL A 33 2.957 1.596 -3.451 1.00 33.10 H new ATOM 0 HG21 VAL A 33 2.194 3.646 -1.212 1.00 21.23 H new ATOM 0 HG22 VAL A 33 2.014 1.891 -0.977 1.00 21.23 H new ATOM 0 HG23 VAL A 33 2.986 2.847 0.166 1.00 21.23 H new ATOM 572 N MET A 34 6.334 -0.038 -2.692 1.00 43.31 N ATOM 573 CA MET A 34 7.592 -0.254 -3.437 1.00 35.14 C ATOM 574 C MET A 34 7.696 0.681 -4.653 1.00 60.52 C ATOM 575 O MET A 34 6.698 1.223 -5.129 1.00 61.25 O ATOM 576 CB MET A 34 7.705 -1.727 -3.908 1.00 25.14 C ATOM 577 CG MET A 34 7.795 -2.773 -2.787 1.00 15.15 C ATOM 578 SD MET A 34 9.387 -2.788 -1.928 1.00 40.22 S ATOM 579 CE MET A 34 9.076 -1.756 -0.493 1.00 72.35 C ATOM 0 H MET A 34 5.685 -0.824 -2.742 1.00 43.31 H new ATOM 0 HA MET A 34 8.412 -0.028 -2.755 1.00 35.14 H new ATOM 0 HB2 MET A 34 6.840 -1.959 -4.530 1.00 25.14 H new ATOM 0 HB3 MET A 34 8.587 -1.821 -4.541 1.00 25.14 H new ATOM 0 HG2 MET A 34 7.003 -2.584 -2.062 1.00 15.15 H new ATOM 0 HG3 MET A 34 7.611 -3.761 -3.209 1.00 15.15 H new ATOM 0 HE1 MET A 34 10.015 -1.327 -0.143 1.00 72.35 H new ATOM 0 HE2 MET A 34 8.389 -0.954 -0.763 1.00 72.35 H new ATOM 0 HE3 MET A 34 8.635 -2.359 0.300 1.00 72.35 H new ATOM 589 N TRP A 35 8.929 0.831 -5.135 1.00 72.31 N ATOM 590 CA TRP A 35 9.264 1.621 -6.334 1.00 3.40 C ATOM 591 C TRP A 35 9.050 0.795 -7.611 1.00 74.04 C ATOM 592 O TRP A 35 9.105 1.336 -8.726 1.00 22.44 O ATOM 593 CB TRP A 35 10.725 2.128 -6.232 1.00 65.44 C ATOM 594 CG TRP A 35 11.762 1.060 -5.929 1.00 43.33 C ATOM 595 CD1 TRP A 35 12.541 0.373 -6.820 1.00 40.14 C ATOM 596 CD2 TRP A 35 12.120 0.563 -4.625 1.00 62.23 C ATOM 597 NE1 TRP A 35 13.350 -0.512 -6.153 1.00 14.24 N ATOM 598 CE2 TRP A 35 13.108 -0.417 -4.809 1.00 61.25 C ATOM 599 CE3 TRP A 35 11.688 0.849 -3.320 1.00 23.15 C ATOM 600 CZ2 TRP A 35 13.680 -1.105 -3.742 1.00 53.22 C ATOM 601 CZ3 TRP A 35 12.251 0.163 -2.264 1.00 24.11 C ATOM 602 CH2 TRP A 35 13.244 -0.802 -2.479 1.00 5.40 C ATOM 0 H TRP A 35 9.744 0.401 -4.699 1.00 72.31 H new ATOM 0 HA TRP A 35 8.599 2.483 -6.389 1.00 3.40 H new ATOM 0 HB2 TRP A 35 10.990 2.613 -7.171 1.00 65.44 H new ATOM 0 HB3 TRP A 35 10.774 2.890 -5.455 1.00 65.44 H new ATOM 0 HD1 TRP A 35 12.522 0.508 -7.891 1.00 40.14 H new ATOM 0 HE1 TRP A 35 14.024 -1.141 -6.589 1.00 14.24 H new ATOM 0 HE3 TRP A 35 10.927 1.595 -3.146 1.00 23.15 H new ATOM 0 HZ2 TRP A 35 14.442 -1.853 -3.905 1.00 53.22 H new ATOM 0 HZ3 TRP A 35 11.922 0.373 -1.257 1.00 24.11 H new ATOM 0 HH2 TRP A 35 13.674 -1.317 -1.633 1.00 5.40 H new ATOM 613 N LYS A 36 8.819 -0.514 -7.435 1.00 72.43 N ATOM 614 CA LYS A 36 8.568 -1.437 -8.538 1.00 44.20 C ATOM 615 C LYS A 36 7.072 -1.485 -8.840 1.00 11.33 C ATOM 616 O LYS A 36 6.238 -1.454 -7.930 1.00 43.53 O ATOM 617 CB LYS A 36 9.097 -2.842 -8.191 1.00 5.11 C ATOM 618 CG LYS A 36 10.592 -2.860 -7.793 1.00 2.54 C ATOM 619 CD LYS A 36 11.154 -4.291 -7.694 1.00 54.25 C ATOM 620 CE LYS A 36 12.596 -4.328 -7.173 1.00 22.21 C ATOM 621 NZ LYS A 36 13.141 -5.714 -7.161 1.00 53.32 N ATOM 0 H LYS A 36 8.802 -0.959 -6.517 1.00 72.43 H new ATOM 0 HA LYS A 36 9.094 -1.085 -9.425 1.00 44.20 H new ATOM 0 HB2 LYS A 36 8.506 -3.251 -7.371 1.00 5.11 H new ATOM 0 HB3 LYS A 36 8.950 -3.499 -9.049 1.00 5.11 H new ATOM 0 HG2 LYS A 36 11.168 -2.296 -8.527 1.00 2.54 H new ATOM 0 HG3 LYS A 36 10.717 -2.356 -6.835 1.00 2.54 H new ATOM 0 HD2 LYS A 36 10.519 -4.881 -7.034 1.00 54.25 H new ATOM 0 HD3 LYS A 36 11.115 -4.761 -8.677 1.00 54.25 H new ATOM 0 HE2 LYS A 36 13.225 -3.695 -7.798 1.00 22.21 H new ATOM 0 HE3 LYS A 36 12.630 -3.915 -6.165 1.00 22.21 H new ATOM 0 HZ1 LYS A 36 14.117 -5.700 -6.803 1.00 53.32 H new ATOM 0 HZ2 LYS A 36 12.555 -6.312 -6.545 1.00 53.32 H new ATOM 0 HZ3 LYS A 36 13.132 -6.099 -8.127 1.00 53.32 H new ATOM 635 N TYR A 37 6.759 -1.574 -10.130 1.00 41.32 N ATOM 636 CA TYR A 37 5.387 -1.563 -10.646 1.00 32.34 C ATOM 637 C TYR A 37 5.230 -2.657 -11.708 1.00 32.14 C ATOM 638 O TYR A 37 6.222 -3.072 -12.314 1.00 64.02 O ATOM 639 CB TYR A 37 5.025 -0.151 -11.194 1.00 53.32 C ATOM 640 CG TYR A 37 6.106 0.514 -12.058 1.00 60.53 C ATOM 641 CD1 TYR A 37 6.160 0.327 -13.438 1.00 52.14 C ATOM 642 CD2 TYR A 37 7.076 1.350 -11.485 1.00 4.33 C ATOM 643 CE1 TYR A 37 7.132 0.938 -14.205 1.00 11.11 C ATOM 644 CE2 TYR A 37 8.043 1.963 -12.251 1.00 11.22 C ATOM 645 CZ TYR A 37 8.068 1.754 -13.606 1.00 42.30 C ATOM 646 OH TYR A 37 9.034 2.368 -14.372 1.00 24.51 O ATOM 0 H TYR A 37 7.464 -1.658 -10.863 1.00 41.32 H new ATOM 0 HA TYR A 37 4.687 -1.779 -9.839 1.00 32.34 H new ATOM 0 HB2 TYR A 37 4.111 -0.231 -11.783 1.00 53.32 H new ATOM 0 HB3 TYR A 37 4.805 0.503 -10.350 1.00 53.32 H new ATOM 0 HD1 TYR A 37 5.428 -0.307 -13.916 1.00 52.14 H new ATOM 0 HD2 TYR A 37 7.064 1.517 -10.418 1.00 4.33 H new ATOM 0 HE1 TYR A 37 7.159 0.777 -15.273 1.00 11.11 H new ATOM 0 HE2 TYR A 37 8.777 2.605 -11.787 1.00 11.22 H new ATOM 0 HH TYR A 37 9.614 2.909 -13.796 1.00 24.51 H new ATOM 656 N LEU A 38 3.977 -3.104 -11.924 1.00 34.44 N ATOM 657 CA LEU A 38 3.649 -4.262 -12.786 1.00 43.03 C ATOM 658 C LEU A 38 4.184 -4.104 -14.231 1.00 11.13 C ATOM 659 O LEU A 38 4.574 -5.094 -14.857 1.00 62.53 O ATOM 660 CB LEU A 38 2.114 -4.506 -12.766 1.00 11.14 C ATOM 661 CG LEU A 38 1.555 -5.670 -13.660 1.00 72.20 C ATOM 662 CD1 LEU A 38 2.136 -7.053 -13.274 1.00 71.04 C ATOM 663 CD2 LEU A 38 0.009 -5.693 -13.637 1.00 74.21 C ATOM 0 H LEU A 38 3.156 -2.669 -11.503 1.00 34.44 H new ATOM 0 HA LEU A 38 4.155 -5.137 -12.379 1.00 43.03 H new ATOM 0 HB2 LEU A 38 1.817 -4.701 -11.735 1.00 11.14 H new ATOM 0 HB3 LEU A 38 1.622 -3.582 -13.070 1.00 11.14 H new ATOM 0 HG LEU A 38 1.884 -5.466 -14.679 1.00 72.20 H new ATOM 0 HD11 LEU A 38 1.715 -7.819 -13.925 1.00 71.04 H new ATOM 0 HD12 LEU A 38 3.220 -7.037 -13.387 1.00 71.04 H new ATOM 0 HD13 LEU A 38 1.883 -7.278 -12.238 1.00 71.04 H new ATOM 0 HD21 LEU A 38 -0.352 -6.508 -14.264 1.00 74.21 H new ATOM 0 HD22 LEU A 38 -0.338 -5.841 -12.614 1.00 74.21 H new ATOM 0 HD23 LEU A 38 -0.375 -4.746 -14.017 1.00 74.21 H new ATOM 675 N GLU A 39 4.259 -2.844 -14.722 1.00 24.32 N ATOM 676 CA GLU A 39 4.717 -2.530 -16.101 1.00 63.52 C ATOM 677 C GLU A 39 6.200 -2.898 -16.360 1.00 12.43 C ATOM 678 O GLU A 39 6.630 -2.921 -17.517 1.00 13.35 O ATOM 679 CB GLU A 39 4.473 -1.036 -16.429 1.00 4.54 C ATOM 680 CG GLU A 39 2.993 -0.612 -16.477 1.00 64.15 C ATOM 681 CD GLU A 39 2.188 -1.312 -17.597 1.00 23.51 C ATOM 682 OE1 GLU A 39 2.413 -0.997 -18.786 1.00 11.12 O ATOM 683 OE2 GLU A 39 1.326 -2.171 -17.299 1.00 43.45 O ATOM 0 H GLU A 39 4.006 -2.019 -14.178 1.00 24.32 H new ATOM 0 HA GLU A 39 4.121 -3.155 -16.766 1.00 63.52 H new ATOM 0 HB2 GLU A 39 4.985 -0.428 -15.684 1.00 4.54 H new ATOM 0 HB3 GLU A 39 4.931 -0.812 -17.393 1.00 4.54 H new ATOM 0 HG2 GLU A 39 2.529 -0.831 -15.515 1.00 64.15 H new ATOM 0 HG3 GLU A 39 2.937 0.467 -16.620 1.00 64.15 H new ATOM 690 N GLN A 40 6.972 -3.167 -15.295 1.00 33.20 N ATOM 691 CA GLN A 40 8.364 -3.633 -15.422 1.00 32.10 C ATOM 692 C GLN A 40 8.389 -5.117 -15.847 1.00 43.01 C ATOM 693 O GLN A 40 7.586 -5.921 -15.364 1.00 13.35 O ATOM 694 CB GLN A 40 9.121 -3.477 -14.075 1.00 3.23 C ATOM 695 CG GLN A 40 9.144 -2.046 -13.501 1.00 2.03 C ATOM 696 CD GLN A 40 9.885 -1.930 -12.162 1.00 53.12 C ATOM 697 OE1 GLN A 40 9.930 -2.877 -11.380 1.00 54.03 O ATOM 698 NE2 GLN A 40 10.448 -0.761 -11.884 1.00 55.35 N ATOM 0 H GLN A 40 6.654 -3.069 -14.331 1.00 33.20 H new ATOM 0 HA GLN A 40 8.857 -3.024 -16.180 1.00 32.10 H new ATOM 0 HB2 GLN A 40 8.664 -4.140 -13.340 1.00 3.23 H new ATOM 0 HB3 GLN A 40 10.149 -3.814 -14.212 1.00 3.23 H new ATOM 0 HG2 GLN A 40 9.615 -1.381 -14.225 1.00 2.03 H new ATOM 0 HG3 GLN A 40 8.119 -1.700 -13.370 1.00 2.03 H new ATOM 0 HE21 GLN A 40 10.392 0.005 -12.556 1.00 55.35 H new ATOM 0 HE22 GLN A 40 10.937 -0.628 -10.999 1.00 55.35 H new ATOM 707 N ALA A 41 9.327 -5.470 -16.744 1.00 2.12 N ATOM 708 CA ALA A 41 9.614 -6.880 -17.104 1.00 63.41 C ATOM 709 C ALA A 41 10.474 -7.554 -16.007 1.00 71.33 C ATOM 710 O ALA A 41 10.556 -8.782 -15.947 1.00 61.13 O ATOM 711 CB ALA A 41 10.313 -6.964 -18.472 1.00 42.25 C ATOM 0 H ALA A 41 9.907 -4.794 -17.240 1.00 2.12 H new ATOM 0 HA ALA A 41 8.667 -7.415 -17.176 1.00 63.41 H new ATOM 0 HB1 ALA A 41 10.513 -8.008 -18.715 1.00 42.25 H new ATOM 0 HB2 ALA A 41 9.669 -6.531 -19.237 1.00 42.25 H new ATOM 0 HB3 ALA A 41 11.253 -6.413 -18.435 1.00 42.25 H new ATOM 717 N SER A 42 11.117 -6.719 -15.159 1.00 45.43 N ATOM 718 CA SER A 42 11.911 -7.168 -13.996 1.00 43.11 C ATOM 719 C SER A 42 10.996 -7.576 -12.817 1.00 32.34 C ATOM 720 O SER A 42 11.448 -8.227 -11.869 1.00 63.33 O ATOM 721 CB SER A 42 12.883 -6.040 -13.565 1.00 50.34 C ATOM 722 OG SER A 42 13.813 -6.484 -12.582 1.00 10.15 O ATOM 0 H SER A 42 11.098 -5.705 -15.265 1.00 45.43 H new ATOM 0 HA SER A 42 12.486 -8.048 -14.286 1.00 43.11 H new ATOM 0 HB2 SER A 42 13.425 -5.675 -14.438 1.00 50.34 H new ATOM 0 HB3 SER A 42 12.311 -5.200 -13.170 1.00 50.34 H new ATOM 0 HG SER A 42 13.356 -7.065 -11.939 1.00 10.15 H new ATOM 728 N PHE A 43 9.717 -7.166 -12.895 1.00 71.20 N ATOM 729 CA PHE A 43 8.680 -7.508 -11.911 1.00 31.42 C ATOM 730 C PHE A 43 8.392 -9.035 -11.990 1.00 34.31 C ATOM 731 O PHE A 43 8.087 -9.531 -13.077 1.00 22.32 O ATOM 732 CB PHE A 43 7.400 -6.679 -12.229 1.00 33.32 C ATOM 733 CG PHE A 43 6.496 -6.368 -11.045 1.00 15.11 C ATOM 734 CD1 PHE A 43 6.899 -5.442 -10.086 1.00 14.20 C ATOM 735 CD2 PHE A 43 5.225 -6.931 -10.924 1.00 74.10 C ATOM 736 CE1 PHE A 43 6.062 -5.096 -9.049 1.00 30.10 C ATOM 737 CE2 PHE A 43 4.398 -6.585 -9.878 1.00 61.22 C ATOM 738 CZ PHE A 43 4.814 -5.666 -8.948 1.00 44.41 C ATOM 0 H PHE A 43 9.372 -6.580 -13.655 1.00 71.20 H new ATOM 0 HA PHE A 43 9.010 -7.271 -10.899 1.00 31.42 H new ATOM 0 HB2 PHE A 43 7.705 -5.737 -12.685 1.00 33.32 H new ATOM 0 HB3 PHE A 43 6.817 -7.220 -12.974 1.00 33.32 H new ATOM 0 HD1 PHE A 43 7.878 -4.991 -10.156 1.00 14.20 H new ATOM 0 HD2 PHE A 43 4.886 -7.646 -11.659 1.00 74.10 H new ATOM 0 HE1 PHE A 43 6.386 -4.375 -8.313 1.00 30.10 H new ATOM 0 HE2 PHE A 43 3.421 -7.038 -9.790 1.00 61.22 H new ATOM 0 HZ PHE A 43 4.160 -5.389 -8.134 1.00 44.41 H new ATOM 748 N PRO A 44 8.494 -9.809 -10.858 1.00 42.45 N ATOM 749 CA PRO A 44 8.351 -11.291 -10.882 1.00 4.12 C ATOM 750 C PRO A 44 6.893 -11.769 -10.704 1.00 24.42 C ATOM 751 O PRO A 44 6.643 -12.969 -10.564 1.00 64.44 O ATOM 752 CB PRO A 44 9.229 -11.699 -9.679 1.00 71.21 C ATOM 753 CG PRO A 44 8.998 -10.612 -8.670 1.00 5.42 C ATOM 754 CD PRO A 44 8.754 -9.331 -9.464 1.00 62.34 C ATOM 0 HA PRO A 44 8.643 -11.732 -11.835 1.00 4.12 H new ATOM 0 HB2 PRO A 44 8.940 -12.674 -9.287 1.00 71.21 H new ATOM 0 HB3 PRO A 44 10.281 -11.767 -9.958 1.00 71.21 H new ATOM 0 HG2 PRO A 44 8.142 -10.845 -8.037 1.00 5.42 H new ATOM 0 HG3 PRO A 44 9.860 -10.503 -8.012 1.00 5.42 H new ATOM 0 HD2 PRO A 44 7.905 -8.773 -9.069 1.00 62.34 H new ATOM 0 HD3 PRO A 44 9.618 -8.667 -9.425 1.00 62.34 H new ATOM 762 N MET A 45 5.949 -10.821 -10.719 1.00 45.32 N ATOM 763 CA MET A 45 4.532 -11.066 -10.425 1.00 63.51 C ATOM 764 C MET A 45 3.704 -10.827 -11.695 1.00 24.33 C ATOM 765 O MET A 45 3.883 -9.798 -12.362 1.00 15.20 O ATOM 766 CB MET A 45 4.085 -10.110 -9.290 1.00 11.52 C ATOM 767 CG MET A 45 4.849 -10.275 -7.961 1.00 63.14 C ATOM 768 SD MET A 45 4.675 -8.854 -6.852 1.00 4.32 S ATOM 769 CE MET A 45 2.913 -8.538 -6.906 1.00 24.43 C ATOM 0 H MET A 45 6.151 -9.846 -10.939 1.00 45.32 H new ATOM 0 HA MET A 45 4.381 -12.096 -10.101 1.00 63.51 H new ATOM 0 HB2 MET A 45 4.202 -9.082 -9.634 1.00 11.52 H new ATOM 0 HB3 MET A 45 3.022 -10.264 -9.103 1.00 11.52 H new ATOM 0 HG2 MET A 45 4.490 -11.170 -7.452 1.00 63.14 H new ATOM 0 HG3 MET A 45 5.906 -10.432 -8.175 1.00 63.14 H new ATOM 0 HE1 MET A 45 2.663 -7.747 -6.199 1.00 24.43 H new ATOM 0 HE2 MET A 45 2.629 -8.229 -7.912 1.00 24.43 H new ATOM 0 HE3 MET A 45 2.372 -9.446 -6.640 1.00 24.43 H new ATOM 779 N ASN A 46 2.805 -11.778 -12.017 1.00 13.32 N ATOM 780 CA ASN A 46 1.952 -11.730 -13.234 1.00 52.02 C ATOM 781 C ASN A 46 0.819 -10.686 -13.079 1.00 34.11 C ATOM 782 O ASN A 46 0.683 -10.084 -12.018 1.00 11.11 O ATOM 783 CB ASN A 46 1.365 -13.144 -13.529 1.00 43.14 C ATOM 784 CG ASN A 46 2.424 -14.201 -13.861 1.00 23.24 C ATOM 785 OD1 ASN A 46 3.566 -14.139 -13.400 1.00 54.32 O ATOM 786 ND2 ASN A 46 2.047 -15.189 -14.651 1.00 2.34 N ATOM 0 H ASN A 46 2.645 -12.606 -11.443 1.00 13.32 H new ATOM 0 HA ASN A 46 2.570 -11.424 -14.078 1.00 52.02 H new ATOM 0 HB2 ASN A 46 0.793 -13.477 -12.663 1.00 43.14 H new ATOM 0 HB3 ASN A 46 0.667 -13.070 -14.363 1.00 43.14 H new ATOM 0 HD21 ASN A 46 2.707 -15.927 -14.895 1.00 2.34 H new ATOM 0 HD22 ASN A 46 1.095 -15.214 -15.018 1.00 2.34 H new ATOM 793 N GLU A 47 0.013 -10.489 -14.150 1.00 25.42 N ATOM 794 CA GLU A 47 -1.080 -9.469 -14.204 1.00 30.43 C ATOM 795 C GLU A 47 -2.137 -9.669 -13.091 1.00 53.41 C ATOM 796 O GLU A 47 -2.267 -8.840 -12.175 1.00 24.54 O ATOM 797 CB GLU A 47 -1.772 -9.508 -15.608 1.00 61.21 C ATOM 798 CG GLU A 47 -0.854 -9.151 -16.792 1.00 22.42 C ATOM 799 CD GLU A 47 -0.510 -7.655 -16.880 1.00 74.02 C ATOM 800 OE1 GLU A 47 -1.425 -6.845 -17.158 1.00 11.40 O ATOM 801 OE2 GLU A 47 0.672 -7.285 -16.713 1.00 42.52 O ATOM 0 H GLU A 47 0.098 -11.033 -15.009 1.00 25.42 H new ATOM 0 HA GLU A 47 -0.620 -8.494 -14.039 1.00 30.43 H new ATOM 0 HB2 GLU A 47 -2.178 -10.507 -15.770 1.00 61.21 H new ATOM 0 HB3 GLU A 47 -2.616 -8.818 -15.600 1.00 61.21 H new ATOM 0 HG2 GLU A 47 0.070 -9.723 -16.709 1.00 22.42 H new ATOM 0 HG3 GLU A 47 -1.336 -9.459 -17.720 1.00 22.42 H new ATOM 808 N THR A 48 -2.883 -10.781 -13.198 1.00 60.03 N ATOM 809 CA THR A 48 -3.964 -11.144 -12.259 1.00 41.52 C ATOM 810 C THR A 48 -3.392 -11.433 -10.854 1.00 71.11 C ATOM 811 O THR A 48 -4.016 -11.111 -9.845 1.00 52.43 O ATOM 812 CB THR A 48 -4.739 -12.401 -12.789 1.00 53.30 C ATOM 813 OG1 THR A 48 -5.053 -12.221 -14.174 1.00 15.02 O ATOM 814 CG2 THR A 48 -6.047 -12.680 -12.021 1.00 54.41 C ATOM 0 H THR A 48 -2.753 -11.462 -13.946 1.00 60.03 H new ATOM 0 HA THR A 48 -4.653 -10.303 -12.187 1.00 41.52 H new ATOM 0 HB THR A 48 -4.081 -13.257 -12.638 1.00 53.30 H new ATOM 0 HG1 THR A 48 -5.536 -13.007 -14.505 1.00 15.02 H new ATOM 0 HG21 THR A 48 -6.533 -13.562 -12.438 1.00 54.41 H new ATOM 0 HG22 THR A 48 -5.821 -12.854 -10.969 1.00 54.41 H new ATOM 0 HG23 THR A 48 -6.713 -11.822 -12.112 1.00 54.41 H new ATOM 822 N GLU A 49 -2.177 -12.018 -10.827 1.00 73.50 N ATOM 823 CA GLU A 49 -1.472 -12.381 -9.581 1.00 55.34 C ATOM 824 C GLU A 49 -1.045 -11.132 -8.788 1.00 2.05 C ATOM 825 O GLU A 49 -1.023 -11.150 -7.550 1.00 13.21 O ATOM 826 CB GLU A 49 -0.244 -13.272 -9.896 1.00 30.21 C ATOM 827 CG GLU A 49 -0.575 -14.583 -10.636 1.00 72.24 C ATOM 828 CD GLU A 49 -1.507 -15.520 -9.846 1.00 4.24 C ATOM 829 OE1 GLU A 49 -1.004 -16.318 -9.020 1.00 1.04 O ATOM 830 OE2 GLU A 49 -2.741 -15.467 -10.043 1.00 62.04 O ATOM 0 H GLU A 49 -1.656 -12.253 -11.672 1.00 73.50 H new ATOM 0 HA GLU A 49 -2.166 -12.945 -8.958 1.00 55.34 H new ATOM 0 HB2 GLU A 49 0.460 -12.698 -10.499 1.00 30.21 H new ATOM 0 HB3 GLU A 49 0.261 -13.515 -8.961 1.00 30.21 H new ATOM 0 HG2 GLU A 49 -1.041 -14.343 -11.592 1.00 72.24 H new ATOM 0 HG3 GLU A 49 0.353 -15.110 -10.857 1.00 72.24 H new ATOM 837 N TYR A 50 -0.706 -10.054 -9.517 1.00 15.45 N ATOM 838 CA TYR A 50 -0.424 -8.740 -8.917 1.00 14.51 C ATOM 839 C TYR A 50 -1.696 -8.172 -8.247 1.00 64.31 C ATOM 840 O TYR A 50 -1.618 -7.596 -7.151 1.00 45.20 O ATOM 841 CB TYR A 50 0.162 -7.756 -9.983 1.00 35.11 C ATOM 842 CG TYR A 50 0.084 -6.279 -9.585 1.00 72.23 C ATOM 843 CD1 TYR A 50 0.903 -5.752 -8.584 1.00 21.33 C ATOM 844 CD2 TYR A 50 -0.867 -5.429 -10.161 1.00 43.21 C ATOM 845 CE1 TYR A 50 0.766 -4.443 -8.175 1.00 61.33 C ATOM 846 CE2 TYR A 50 -0.985 -4.123 -9.768 1.00 62.22 C ATOM 847 CZ TYR A 50 -0.183 -3.638 -8.771 1.00 53.14 C ATOM 848 OH TYR A 50 -0.371 -2.347 -8.336 1.00 12.53 O ATOM 0 H TYR A 50 -0.620 -10.070 -10.533 1.00 15.45 H new ATOM 0 HA TYR A 50 0.333 -8.862 -8.142 1.00 14.51 H new ATOM 0 HB2 TYR A 50 1.204 -8.016 -10.167 1.00 35.11 H new ATOM 0 HB3 TYR A 50 -0.372 -7.896 -10.923 1.00 35.11 H new ATOM 0 HD1 TYR A 50 1.653 -6.378 -8.124 1.00 21.33 H new ATOM 0 HD2 TYR A 50 -1.521 -5.811 -10.931 1.00 43.21 H new ATOM 0 HE1 TYR A 50 1.398 -4.050 -7.392 1.00 61.33 H new ATOM 0 HE2 TYR A 50 -1.709 -3.478 -10.243 1.00 62.22 H new ATOM 0 HH TYR A 50 0.294 -2.133 -7.649 1.00 12.53 H new ATOM 858 N GLN A 51 -2.857 -8.335 -8.912 1.00 61.42 N ATOM 859 CA GLN A 51 -4.158 -7.863 -8.378 1.00 71.52 C ATOM 860 C GLN A 51 -4.532 -8.686 -7.115 1.00 71.10 C ATOM 861 O GLN A 51 -5.082 -8.134 -6.161 1.00 13.24 O ATOM 862 CB GLN A 51 -5.265 -7.928 -9.486 1.00 44.41 C ATOM 863 CG GLN A 51 -6.488 -6.971 -9.302 1.00 50.13 C ATOM 864 CD GLN A 51 -7.450 -7.320 -8.147 1.00 71.12 C ATOM 865 OE1 GLN A 51 -7.650 -8.484 -7.805 1.00 4.14 O ATOM 866 NE2 GLN A 51 -8.058 -6.308 -7.545 1.00 33.13 N ATOM 0 H GLN A 51 -2.924 -8.791 -9.822 1.00 61.42 H new ATOM 0 HA GLN A 51 -4.076 -6.818 -8.080 1.00 71.52 H new ATOM 0 HB2 GLN A 51 -4.800 -7.708 -10.447 1.00 44.41 H new ATOM 0 HB3 GLN A 51 -5.637 -8.951 -9.539 1.00 44.41 H new ATOM 0 HG2 GLN A 51 -6.113 -5.960 -9.143 1.00 50.13 H new ATOM 0 HG3 GLN A 51 -7.057 -6.958 -10.232 1.00 50.13 H new ATOM 0 HE21 GLN A 51 -7.876 -5.351 -7.847 1.00 33.13 H new ATOM 0 HE22 GLN A 51 -8.708 -6.486 -6.780 1.00 33.13 H new ATOM 875 N GLU A 52 -4.194 -9.994 -7.116 1.00 23.22 N ATOM 876 CA GLU A 52 -4.372 -10.882 -5.942 1.00 71.51 C ATOM 877 C GLU A 52 -3.532 -10.407 -4.746 1.00 13.35 C ATOM 878 O GLU A 52 -3.970 -10.509 -3.589 1.00 72.53 O ATOM 879 CB GLU A 52 -3.994 -12.344 -6.298 1.00 54.22 C ATOM 880 CG GLU A 52 -4.886 -13.004 -7.365 1.00 33.32 C ATOM 881 CD GLU A 52 -6.357 -13.154 -6.938 1.00 51.40 C ATOM 882 OE1 GLU A 52 -7.166 -12.230 -7.189 1.00 31.32 O ATOM 883 OE2 GLU A 52 -6.716 -14.206 -6.369 1.00 54.35 O ATOM 0 H GLU A 52 -3.791 -10.464 -7.927 1.00 23.22 H new ATOM 0 HA GLU A 52 -5.424 -10.842 -5.661 1.00 71.51 H new ATOM 0 HB2 GLU A 52 -2.962 -12.362 -6.647 1.00 54.22 H new ATOM 0 HB3 GLU A 52 -4.034 -12.945 -5.390 1.00 54.22 H new ATOM 0 HG2 GLU A 52 -4.841 -12.412 -8.279 1.00 33.32 H new ATOM 0 HG3 GLU A 52 -4.484 -13.989 -7.603 1.00 33.32 H new ATOM 890 N HIS A 53 -2.317 -9.905 -5.041 1.00 2.23 N ATOM 891 CA HIS A 53 -1.417 -9.325 -4.025 1.00 63.34 C ATOM 892 C HIS A 53 -2.068 -8.092 -3.376 1.00 44.40 C ATOM 893 O HIS A 53 -2.082 -7.969 -2.150 1.00 11.24 O ATOM 894 CB HIS A 53 -0.052 -8.956 -4.657 1.00 12.03 C ATOM 895 CG HIS A 53 0.933 -8.299 -3.716 1.00 30.21 C ATOM 896 ND1 HIS A 53 1.631 -8.992 -2.750 1.00 63.30 N ATOM 897 CD2 HIS A 53 1.337 -7.005 -3.604 1.00 32.51 C ATOM 898 CE1 HIS A 53 2.408 -8.162 -2.088 1.00 50.24 C ATOM 899 NE2 HIS A 53 2.253 -6.954 -2.586 1.00 5.14 N ATOM 0 H HIS A 53 -1.933 -9.890 -5.986 1.00 2.23 H new ATOM 0 HA HIS A 53 -1.242 -10.070 -3.249 1.00 63.34 H new ATOM 0 HB2 HIS A 53 0.402 -9.862 -5.059 1.00 12.03 H new ATOM 0 HB3 HIS A 53 -0.228 -8.287 -5.499 1.00 12.03 H new ATOM 0 HD2 HIS A 53 0.999 -6.174 -4.205 1.00 32.51 H new ATOM 0 HE1 HIS A 53 3.064 -8.428 -1.272 1.00 50.24 H new ATOM 0 HE2 HIS A 53 2.737 -6.115 -2.266 1.00 5.14 H new ATOM 908 N LEU A 54 -2.619 -7.205 -4.223 1.00 63.42 N ATOM 909 CA LEU A 54 -3.281 -5.960 -3.776 1.00 35.11 C ATOM 910 C LEU A 54 -4.506 -6.263 -2.912 1.00 62.22 C ATOM 911 O LEU A 54 -4.720 -5.638 -1.884 1.00 65.44 O ATOM 912 CB LEU A 54 -3.749 -5.126 -4.984 1.00 51.44 C ATOM 913 CG LEU A 54 -2.651 -4.634 -5.956 1.00 61.12 C ATOM 914 CD1 LEU A 54 -3.306 -3.923 -7.147 1.00 25.33 C ATOM 915 CD2 LEU A 54 -1.619 -3.724 -5.242 1.00 34.22 C ATOM 0 H LEU A 54 -2.620 -7.328 -5.236 1.00 63.42 H new ATOM 0 HA LEU A 54 -2.547 -5.403 -3.194 1.00 35.11 H new ATOM 0 HB2 LEU A 54 -4.464 -5.721 -5.552 1.00 51.44 H new ATOM 0 HB3 LEU A 54 -4.286 -4.255 -4.609 1.00 51.44 H new ATOM 0 HG LEU A 54 -2.096 -5.497 -6.324 1.00 61.12 H new ATOM 0 HD11 LEU A 54 -2.534 -3.576 -7.833 1.00 25.33 H new ATOM 0 HD12 LEU A 54 -3.967 -4.617 -7.666 1.00 25.33 H new ATOM 0 HD13 LEU A 54 -3.883 -3.071 -6.789 1.00 25.33 H new ATOM 0 HD21 LEU A 54 -0.864 -3.399 -5.958 1.00 34.22 H new ATOM 0 HD22 LEU A 54 -2.127 -2.852 -4.829 1.00 34.22 H new ATOM 0 HD23 LEU A 54 -1.139 -4.280 -4.436 1.00 34.22 H new ATOM 927 N ASP A 55 -5.309 -7.218 -3.389 1.00 52.21 N ATOM 928 CA ASP A 55 -6.578 -7.609 -2.766 1.00 3.01 C ATOM 929 C ASP A 55 -6.338 -8.194 -1.366 1.00 20.33 C ATOM 930 O ASP A 55 -7.101 -7.924 -0.441 1.00 74.52 O ATOM 931 CB ASP A 55 -7.325 -8.618 -3.679 1.00 43.31 C ATOM 932 CG ASP A 55 -8.706 -9.010 -3.125 1.00 23.10 C ATOM 933 OD1 ASP A 55 -9.669 -8.229 -3.291 1.00 42.44 O ATOM 934 OD2 ASP A 55 -8.835 -10.091 -2.511 1.00 42.34 O ATOM 0 H ASP A 55 -5.093 -7.750 -4.232 1.00 52.21 H new ATOM 0 HA ASP A 55 -7.203 -6.724 -2.648 1.00 3.01 H new ATOM 0 HB2 ASP A 55 -7.446 -8.183 -4.671 1.00 43.31 H new ATOM 0 HB3 ASP A 55 -6.717 -9.515 -3.796 1.00 43.31 H new ATOM 939 N SER A 56 -5.253 -8.976 -1.237 1.00 1.11 N ATOM 940 CA SER A 56 -4.829 -9.576 0.044 1.00 73.42 C ATOM 941 C SER A 56 -4.413 -8.478 1.050 1.00 61.14 C ATOM 942 O SER A 56 -4.856 -8.475 2.214 1.00 64.41 O ATOM 943 CB SER A 56 -3.660 -10.559 -0.201 1.00 34.21 C ATOM 944 OG SER A 56 -3.288 -11.254 0.984 1.00 3.44 O ATOM 0 H SER A 56 -4.642 -9.212 -2.019 1.00 1.11 H new ATOM 0 HA SER A 56 -5.669 -10.124 0.471 1.00 73.42 H new ATOM 0 HB2 SER A 56 -3.947 -11.279 -0.968 1.00 34.21 H new ATOM 0 HB3 SER A 56 -2.800 -10.010 -0.584 1.00 34.21 H new ATOM 0 HG SER A 56 -2.548 -11.865 0.786 1.00 3.44 H new ATOM 950 N VAL A 57 -3.584 -7.535 0.567 1.00 1.14 N ATOM 951 CA VAL A 57 -3.070 -6.418 1.371 1.00 72.23 C ATOM 952 C VAL A 57 -4.217 -5.502 1.841 1.00 15.22 C ATOM 953 O VAL A 57 -4.350 -5.232 3.036 1.00 11.53 O ATOM 954 CB VAL A 57 -1.988 -5.599 0.567 1.00 60.01 C ATOM 955 CG1 VAL A 57 -1.585 -4.304 1.301 1.00 14.34 C ATOM 956 CG2 VAL A 57 -0.740 -6.469 0.275 1.00 2.43 C ATOM 0 H VAL A 57 -3.252 -7.529 -0.397 1.00 1.14 H new ATOM 0 HA VAL A 57 -2.589 -6.834 2.257 1.00 72.23 H new ATOM 0 HB VAL A 57 -2.441 -5.312 -0.382 1.00 60.01 H new ATOM 0 HG11 VAL A 57 -0.838 -3.770 0.713 1.00 14.34 H new ATOM 0 HG12 VAL A 57 -2.463 -3.672 1.432 1.00 14.34 H new ATOM 0 HG13 VAL A 57 -1.168 -4.553 2.277 1.00 14.34 H new ATOM 0 HG21 VAL A 57 -0.009 -5.882 -0.280 1.00 2.43 H new ATOM 0 HG22 VAL A 57 -0.300 -6.801 1.215 1.00 2.43 H new ATOM 0 HG23 VAL A 57 -1.032 -7.337 -0.316 1.00 2.43 H new ATOM 966 N ALA A 58 -5.056 -5.063 0.891 1.00 53.13 N ATOM 967 CA ALA A 58 -6.185 -4.150 1.161 1.00 61.45 C ATOM 968 C ALA A 58 -7.260 -4.797 2.048 1.00 42.30 C ATOM 969 O ALA A 58 -7.994 -4.088 2.751 1.00 24.32 O ATOM 970 CB ALA A 58 -6.794 -3.660 -0.150 1.00 64.13 C ATOM 0 H ALA A 58 -4.973 -5.330 -0.090 1.00 53.13 H new ATOM 0 HA ALA A 58 -5.788 -3.297 1.712 1.00 61.45 H new ATOM 0 HB1 ALA A 58 -7.625 -2.988 0.064 1.00 64.13 H new ATOM 0 HB2 ALA A 58 -6.037 -3.129 -0.727 1.00 64.13 H new ATOM 0 HB3 ALA A 58 -7.156 -4.513 -0.724 1.00 64.13 H new ATOM 976 N ASN A 59 -7.348 -6.141 1.997 1.00 73.35 N ATOM 977 CA ASN A 59 -8.246 -6.926 2.865 1.00 23.51 C ATOM 978 C ASN A 59 -7.790 -6.800 4.331 1.00 51.04 C ATOM 979 O ASN A 59 -8.617 -6.621 5.225 1.00 64.32 O ATOM 980 CB ASN A 59 -8.271 -8.414 2.422 1.00 1.31 C ATOM 981 CG ASN A 59 -9.305 -9.272 3.166 1.00 34.31 C ATOM 982 OD1 ASN A 59 -10.373 -8.800 3.554 1.00 40.13 O ATOM 983 ND2 ASN A 59 -8.988 -10.533 3.371 1.00 4.54 N ATOM 0 H ASN A 59 -6.799 -6.711 1.354 1.00 73.35 H new ATOM 0 HA ASN A 59 -9.259 -6.533 2.776 1.00 23.51 H new ATOM 0 HB2 ASN A 59 -8.478 -8.460 1.353 1.00 1.31 H new ATOM 0 HB3 ASN A 59 -7.281 -8.844 2.574 1.00 1.31 H new ATOM 0 HD21 ASN A 59 -9.636 -11.148 3.864 1.00 4.54 H new ATOM 0 HD22 ASN A 59 -8.095 -10.895 3.037 1.00 4.54 H new ATOM 990 N TYR A 60 -6.458 -6.876 4.548 1.00 4.41 N ATOM 991 CA TYR A 60 -5.839 -6.649 5.876 1.00 60.41 C ATOM 992 C TYR A 60 -6.034 -5.205 6.339 1.00 1.25 C ATOM 993 O TYR A 60 -6.355 -4.960 7.495 1.00 22.33 O ATOM 994 CB TYR A 60 -4.322 -6.971 5.862 1.00 61.51 C ATOM 995 CG TYR A 60 -3.980 -8.451 6.000 1.00 62.42 C ATOM 996 CD1 TYR A 60 -4.288 -9.131 7.176 1.00 5.21 C ATOM 997 CD2 TYR A 60 -3.340 -9.159 4.983 1.00 71.12 C ATOM 998 CE1 TYR A 60 -3.978 -10.457 7.336 1.00 73.25 C ATOM 999 CE2 TYR A 60 -3.025 -10.495 5.136 1.00 12.12 C ATOM 1000 CZ TYR A 60 -3.347 -11.140 6.313 1.00 35.50 C ATOM 1001 OH TYR A 60 -3.040 -12.480 6.465 1.00 41.30 O ATOM 0 H TYR A 60 -5.785 -7.095 3.814 1.00 4.41 H new ATOM 0 HA TYR A 60 -6.339 -7.323 6.571 1.00 60.41 H new ATOM 0 HB2 TYR A 60 -3.895 -6.599 4.931 1.00 61.51 H new ATOM 0 HB3 TYR A 60 -3.842 -6.424 6.674 1.00 61.51 H new ATOM 0 HD1 TYR A 60 -4.781 -8.603 7.979 1.00 5.21 H new ATOM 0 HD2 TYR A 60 -3.087 -8.655 4.062 1.00 71.12 H new ATOM 0 HE1 TYR A 60 -4.225 -10.965 8.256 1.00 73.25 H new ATOM 0 HE2 TYR A 60 -2.530 -11.031 4.340 1.00 12.12 H new ATOM 0 HH TYR A 60 -2.600 -12.809 5.653 1.00 41.30 H new ATOM 1011 N LEU A 61 -5.815 -4.261 5.420 1.00 4.45 N ATOM 1012 CA LEU A 61 -5.942 -2.820 5.693 1.00 22.40 C ATOM 1013 C LEU A 61 -7.372 -2.476 6.170 1.00 33.42 C ATOM 1014 O LEU A 61 -7.555 -1.672 7.078 1.00 1.11 O ATOM 1015 CB LEU A 61 -5.553 -2.021 4.422 1.00 50.32 C ATOM 1016 CG LEU A 61 -4.072 -2.170 3.952 1.00 73.44 C ATOM 1017 CD1 LEU A 61 -3.847 -1.524 2.572 1.00 43.41 C ATOM 1018 CD2 LEU A 61 -3.090 -1.599 4.994 1.00 21.10 C ATOM 0 H LEU A 61 -5.543 -4.472 4.460 1.00 4.45 H new ATOM 0 HA LEU A 61 -5.262 -2.541 6.498 1.00 22.40 H new ATOM 0 HB2 LEU A 61 -6.206 -2.332 3.607 1.00 50.32 H new ATOM 0 HB3 LEU A 61 -5.752 -0.965 4.605 1.00 50.32 H new ATOM 0 HG LEU A 61 -3.872 -3.237 3.854 1.00 73.44 H new ATOM 0 HD11 LEU A 61 -2.805 -1.648 2.278 1.00 43.41 H new ATOM 0 HD12 LEU A 61 -4.491 -2.005 1.836 1.00 43.41 H new ATOM 0 HD13 LEU A 61 -4.086 -0.462 2.624 1.00 43.41 H new ATOM 0 HD21 LEU A 61 -2.068 -1.719 4.635 1.00 21.10 H new ATOM 0 HD22 LEU A 61 -3.298 -0.540 5.148 1.00 21.10 H new ATOM 0 HD23 LEU A 61 -3.208 -2.133 5.937 1.00 21.10 H new ATOM 1030 N HIS A 62 -8.373 -3.122 5.559 1.00 22.14 N ATOM 1031 CA HIS A 62 -9.798 -2.968 5.932 1.00 73.40 C ATOM 1032 C HIS A 62 -10.124 -3.758 7.225 1.00 52.04 C ATOM 1033 O HIS A 62 -10.982 -3.343 8.011 1.00 14.33 O ATOM 1034 CB HIS A 62 -10.681 -3.440 4.750 1.00 43.24 C ATOM 1035 CG HIS A 62 -12.169 -3.358 4.983 1.00 74.20 C ATOM 1036 ND1 HIS A 62 -12.957 -4.473 5.166 1.00 43.13 N ATOM 1037 CD2 HIS A 62 -13.016 -2.301 5.038 1.00 4.02 C ATOM 1038 CE1 HIS A 62 -14.212 -4.109 5.314 1.00 2.51 C ATOM 1039 NE2 HIS A 62 -14.277 -2.800 5.236 1.00 73.33 N ATOM 0 H HIS A 62 -8.224 -3.771 4.787 1.00 22.14 H new ATOM 0 HA HIS A 62 -10.006 -1.918 6.139 1.00 73.40 H new ATOM 0 HB2 HIS A 62 -10.434 -2.842 3.872 1.00 43.24 H new ATOM 0 HB3 HIS A 62 -10.423 -4.473 4.515 1.00 43.24 H new ATOM 0 HD2 HIS A 62 -12.747 -1.259 4.943 1.00 4.02 H new ATOM 0 HE1 HIS A 62 -15.048 -4.774 5.473 1.00 2.51 H new ATOM 0 HE2 HIS A 62 -15.129 -2.244 5.311 1.00 73.33 H new ATOM 1048 N ALA A 63 -9.421 -4.889 7.429 1.00 2.51 N ATOM 1049 CA ALA A 63 -9.594 -5.760 8.617 1.00 21.31 C ATOM 1050 C ALA A 63 -9.065 -5.082 9.895 1.00 2.14 C ATOM 1051 O ALA A 63 -9.610 -5.273 10.989 1.00 1.21 O ATOM 1052 CB ALA A 63 -8.880 -7.110 8.394 1.00 1.02 C ATOM 0 H ALA A 63 -8.715 -5.228 6.776 1.00 2.51 H new ATOM 0 HA ALA A 63 -10.661 -5.937 8.751 1.00 21.31 H new ATOM 0 HB1 ALA A 63 -9.013 -7.742 9.272 1.00 1.02 H new ATOM 0 HB2 ALA A 63 -9.305 -7.607 7.522 1.00 1.02 H new ATOM 0 HB3 ALA A 63 -7.816 -6.936 8.230 1.00 1.02 H new ATOM 1058 N LEU A 64 -7.988 -4.303 9.735 1.00 40.15 N ATOM 1059 CA LEU A 64 -7.293 -3.620 10.843 1.00 64.12 C ATOM 1060 C LEU A 64 -7.798 -2.166 11.000 1.00 40.20 C ATOM 1061 O LEU A 64 -7.704 -1.584 12.086 1.00 54.11 O ATOM 1062 CB LEU A 64 -5.756 -3.657 10.582 1.00 34.43 C ATOM 1063 CG LEU A 64 -5.121 -5.084 10.406 1.00 4.53 C ATOM 1064 CD1 LEU A 64 -3.625 -5.012 10.014 1.00 20.15 C ATOM 1065 CD2 LEU A 64 -5.329 -5.956 11.664 1.00 44.31 C ATOM 0 H LEU A 64 -7.567 -4.125 8.823 1.00 40.15 H new ATOM 0 HA LEU A 64 -7.508 -4.138 11.777 1.00 64.12 H new ATOM 0 HB2 LEU A 64 -5.546 -3.074 9.685 1.00 34.43 H new ATOM 0 HB3 LEU A 64 -5.255 -3.158 11.411 1.00 34.43 H new ATOM 0 HG LEU A 64 -5.646 -5.563 9.579 1.00 4.53 H new ATOM 0 HD11 LEU A 64 -3.229 -6.021 9.903 1.00 20.15 H new ATOM 0 HD12 LEU A 64 -3.521 -4.476 9.070 1.00 20.15 H new ATOM 0 HD13 LEU A 64 -3.070 -4.488 10.792 1.00 20.15 H new ATOM 0 HD21 LEU A 64 -4.877 -6.935 11.507 1.00 44.31 H new ATOM 0 HD22 LEU A 64 -4.861 -5.474 12.522 1.00 44.31 H new ATOM 0 HD23 LEU A 64 -6.396 -6.075 11.852 1.00 44.31 H new ATOM 1077 N GLY A 65 -8.357 -1.598 9.907 1.00 1.34 N ATOM 1078 CA GLY A 65 -8.799 -0.188 9.880 1.00 72.05 C ATOM 1079 C GLY A 65 -7.721 0.769 9.362 1.00 65.11 C ATOM 1080 O GLY A 65 -7.906 1.997 9.377 1.00 3.02 O ATOM 0 H GLY A 65 -8.512 -2.097 9.031 1.00 1.34 H new ATOM 0 HA2 GLY A 65 -9.685 -0.103 9.251 1.00 72.05 H new ATOM 0 HA3 GLY A 65 -9.092 0.114 10.885 1.00 72.05 H new ATOM 1084 N GLY A 66 -6.597 0.193 8.882 1.00 2.15 N ATOM 1085 CA GLY A 66 -5.459 0.961 8.372 1.00 2.25 C ATOM 1086 C GLY A 66 -5.592 1.353 6.908 1.00 52.01 C ATOM 1087 O GLY A 66 -4.693 1.993 6.370 1.00 62.21 O ATOM 0 H GLY A 66 -6.461 -0.817 8.841 1.00 2.15 H new ATOM 0 HA2 GLY A 66 -5.344 1.864 8.972 1.00 2.25 H new ATOM 0 HA3 GLY A 66 -4.549 0.374 8.501 1.00 2.25 H new ATOM 1091 N ALA A 67 -6.716 0.980 6.263 1.00 1.35 N ATOM 1092 CA ALA A 67 -6.987 1.326 4.854 1.00 22.23 C ATOM 1093 C ALA A 67 -7.172 2.832 4.669 1.00 4.12 C ATOM 1094 O ALA A 67 -6.695 3.415 3.689 1.00 52.11 O ATOM 1095 CB ALA A 67 -8.213 0.564 4.348 1.00 23.52 C ATOM 0 H ALA A 67 -7.457 0.434 6.702 1.00 1.35 H new ATOM 0 HA ALA A 67 -6.120 1.029 4.264 1.00 22.23 H new ATOM 0 HB1 ALA A 67 -8.402 0.828 3.308 1.00 23.52 H new ATOM 0 HB2 ALA A 67 -8.031 -0.508 4.423 1.00 23.52 H new ATOM 0 HB3 ALA A 67 -9.081 0.828 4.953 1.00 23.52 H new ATOM 1101 N VAL A 68 -7.868 3.443 5.642 1.00 72.14 N ATOM 1102 CA VAL A 68 -8.082 4.896 5.691 1.00 12.54 C ATOM 1103 C VAL A 68 -6.733 5.617 5.868 1.00 2.02 C ATOM 1104 O VAL A 68 -6.500 6.639 5.236 1.00 14.50 O ATOM 1105 CB VAL A 68 -9.074 5.289 6.858 1.00 24.15 C ATOM 1106 CG1 VAL A 68 -9.371 6.812 6.884 1.00 24.12 C ATOM 1107 CG2 VAL A 68 -10.387 4.474 6.767 1.00 4.23 C ATOM 0 H VAL A 68 -8.299 2.940 6.418 1.00 72.14 H new ATOM 0 HA VAL A 68 -8.535 5.208 4.750 1.00 12.54 H new ATOM 0 HB VAL A 68 -8.578 5.041 7.796 1.00 24.15 H new ATOM 0 HG11 VAL A 68 -10.057 7.035 7.702 1.00 24.12 H new ATOM 0 HG12 VAL A 68 -8.441 7.362 7.030 1.00 24.12 H new ATOM 0 HG13 VAL A 68 -9.824 7.110 5.939 1.00 24.12 H new ATOM 0 HG21 VAL A 68 -11.052 4.763 7.581 1.00 4.23 H new ATOM 0 HG22 VAL A 68 -10.874 4.674 5.812 1.00 4.23 H new ATOM 0 HG23 VAL A 68 -10.161 3.410 6.844 1.00 4.23 H new ATOM 1117 N GLN A 69 -5.839 5.032 6.699 1.00 23.25 N ATOM 1118 CA GLN A 69 -4.475 5.569 6.949 1.00 4.41 C ATOM 1119 C GLN A 69 -3.657 5.652 5.641 1.00 14.51 C ATOM 1120 O GLN A 69 -2.927 6.619 5.423 1.00 51.15 O ATOM 1121 CB GLN A 69 -3.717 4.696 7.989 1.00 24.21 C ATOM 1122 CG GLN A 69 -4.426 4.530 9.355 1.00 32.13 C ATOM 1123 CD GLN A 69 -4.630 5.837 10.128 1.00 53.44 C ATOM 1124 OE1 GLN A 69 -3.841 6.775 10.022 1.00 63.31 O ATOM 1125 NE2 GLN A 69 -5.668 5.890 10.946 1.00 4.15 N ATOM 0 H GLN A 69 -6.040 4.176 7.216 1.00 23.25 H new ATOM 0 HA GLN A 69 -4.591 6.576 7.350 1.00 4.41 H new ATOM 0 HB2 GLN A 69 -3.555 3.707 7.560 1.00 24.21 H new ATOM 0 HB3 GLN A 69 -2.734 5.135 8.159 1.00 24.21 H new ATOM 0 HG2 GLN A 69 -5.398 4.064 9.191 1.00 32.13 H new ATOM 0 HG3 GLN A 69 -3.844 3.845 9.971 1.00 32.13 H new ATOM 0 HE21 GLN A 69 -6.306 5.097 11.013 1.00 4.15 H new ATOM 0 HE22 GLN A 69 -5.831 6.724 11.510 1.00 4.15 H new ATOM 1134 N VAL A 70 -3.794 4.618 4.790 1.00 72.42 N ATOM 1135 CA VAL A 70 -3.136 4.550 3.468 1.00 5.35 C ATOM 1136 C VAL A 70 -3.682 5.647 2.529 1.00 41.33 C ATOM 1137 O VAL A 70 -2.909 6.417 1.945 1.00 50.44 O ATOM 1138 CB VAL A 70 -3.343 3.127 2.818 1.00 4.32 C ATOM 1139 CG1 VAL A 70 -2.724 3.019 1.404 1.00 51.52 C ATOM 1140 CG2 VAL A 70 -2.792 2.025 3.742 1.00 2.23 C ATOM 0 H VAL A 70 -4.367 3.801 5.000 1.00 72.42 H new ATOM 0 HA VAL A 70 -2.069 4.717 3.612 1.00 5.35 H new ATOM 0 HB VAL A 70 -4.417 2.986 2.700 1.00 4.32 H new ATOM 0 HG11 VAL A 70 -2.897 2.019 1.006 1.00 51.52 H new ATOM 0 HG12 VAL A 70 -3.187 3.756 0.747 1.00 51.52 H new ATOM 0 HG13 VAL A 70 -1.652 3.206 1.461 1.00 51.52 H new ATOM 0 HG21 VAL A 70 -2.944 1.051 3.277 1.00 2.23 H new ATOM 0 HG22 VAL A 70 -1.727 2.187 3.906 1.00 2.23 H new ATOM 0 HG23 VAL A 70 -3.315 2.056 4.698 1.00 2.23 H new ATOM 1150 N LYS A 71 -5.020 5.717 2.432 1.00 72.22 N ATOM 1151 CA LYS A 71 -5.726 6.673 1.549 1.00 62.15 C ATOM 1152 C LYS A 71 -5.465 8.137 1.958 1.00 50.22 C ATOM 1153 O LYS A 71 -5.387 9.016 1.102 1.00 4.32 O ATOM 1154 CB LYS A 71 -7.249 6.358 1.536 1.00 22.41 C ATOM 1155 CG LYS A 71 -7.589 4.990 0.896 1.00 53.52 C ATOM 1156 CD LYS A 71 -9.105 4.765 0.674 1.00 3.14 C ATOM 1157 CE LYS A 71 -9.714 5.703 -0.380 1.00 43.21 C ATOM 1158 NZ LYS A 71 -11.133 5.346 -0.703 1.00 32.45 N ATOM 0 H LYS A 71 -5.648 5.113 2.963 1.00 72.22 H new ATOM 0 HA LYS A 71 -5.332 6.554 0.540 1.00 62.15 H new ATOM 0 HB2 LYS A 71 -7.625 6.375 2.559 1.00 22.41 H new ATOM 0 HB3 LYS A 71 -7.771 7.145 0.991 1.00 22.41 H new ATOM 0 HG2 LYS A 71 -7.075 4.909 -0.062 1.00 53.52 H new ATOM 0 HG3 LYS A 71 -7.202 4.195 1.533 1.00 53.52 H new ATOM 0 HD2 LYS A 71 -9.270 3.732 0.369 1.00 3.14 H new ATOM 0 HD3 LYS A 71 -9.628 4.906 1.620 1.00 3.14 H new ATOM 0 HE2 LYS A 71 -9.673 6.730 -0.017 1.00 43.21 H new ATOM 0 HE3 LYS A 71 -9.115 5.662 -1.290 1.00 43.21 H new ATOM 0 HZ1 LYS A 71 -11.503 6.005 -1.418 1.00 32.45 H new ATOM 0 HZ2 LYS A 71 -11.171 4.375 -1.074 1.00 32.45 H new ATOM 0 HZ3 LYS A 71 -11.712 5.410 0.159 1.00 32.45 H new ATOM 1172 N THR A 72 -5.304 8.369 3.266 1.00 20.55 N ATOM 1173 CA THR A 72 -5.044 9.702 3.830 1.00 24.22 C ATOM 1174 C THR A 72 -3.568 10.109 3.621 1.00 33.13 C ATOM 1175 O THR A 72 -3.279 11.238 3.198 1.00 24.03 O ATOM 1176 CB THR A 72 -5.418 9.720 5.354 1.00 3.25 C ATOM 1177 OG1 THR A 72 -6.798 9.344 5.512 1.00 3.51 O ATOM 1178 CG2 THR A 72 -5.206 11.097 6.001 1.00 70.25 C ATOM 0 H THR A 72 -5.351 7.632 3.970 1.00 20.55 H new ATOM 0 HA THR A 72 -5.666 10.430 3.309 1.00 24.22 H new ATOM 0 HB THR A 72 -4.757 9.012 5.854 1.00 3.25 H new ATOM 0 HG1 THR A 72 -6.882 8.370 5.437 1.00 3.51 H new ATOM 0 HG21 THR A 72 -5.481 11.050 7.055 1.00 70.25 H new ATOM 0 HG22 THR A 72 -4.158 11.384 5.912 1.00 70.25 H new ATOM 0 HG23 THR A 72 -5.829 11.836 5.496 1.00 70.25 H new ATOM 1186 N PHE A 73 -2.646 9.161 3.886 1.00 73.34 N ATOM 1187 CA PHE A 73 -1.186 9.403 3.817 1.00 23.34 C ATOM 1188 C PHE A 73 -0.749 9.706 2.375 1.00 55.14 C ATOM 1189 O PHE A 73 -0.046 10.690 2.134 1.00 51.33 O ATOM 1190 CB PHE A 73 -0.395 8.183 4.364 1.00 34.42 C ATOM 1191 CG PHE A 73 1.123 8.393 4.479 1.00 72.33 C ATOM 1192 CD1 PHE A 73 1.687 8.936 5.635 1.00 73.53 C ATOM 1193 CD2 PHE A 73 1.986 8.050 3.430 1.00 13.33 C ATOM 1194 CE1 PHE A 73 3.053 9.115 5.739 1.00 43.35 C ATOM 1195 CE2 PHE A 73 3.350 8.229 3.539 1.00 61.01 C ATOM 1196 CZ PHE A 73 3.880 8.764 4.689 1.00 32.20 C ATOM 0 H PHE A 73 -2.890 8.207 4.154 1.00 73.34 H new ATOM 0 HA PHE A 73 -0.965 10.270 4.439 1.00 23.34 H new ATOM 0 HB2 PHE A 73 -0.787 7.926 5.348 1.00 34.42 H new ATOM 0 HB3 PHE A 73 -0.580 7.328 3.714 1.00 34.42 H new ATOM 0 HD1 PHE A 73 1.048 9.220 6.458 1.00 73.53 H new ATOM 0 HD2 PHE A 73 1.576 7.638 2.520 1.00 13.33 H new ATOM 0 HE1 PHE A 73 3.475 9.530 6.642 1.00 43.35 H new ATOM 0 HE2 PHE A 73 4.000 7.949 2.723 1.00 61.01 H new ATOM 0 HZ PHE A 73 4.947 8.911 4.772 1.00 32.20 H new ATOM 1206 N ILE A 74 -1.172 8.835 1.435 1.00 14.52 N ATOM 1207 CA ILE A 74 -0.814 8.937 0.006 1.00 54.01 C ATOM 1208 C ILE A 74 -1.344 10.257 -0.615 1.00 53.41 C ATOM 1209 O ILE A 74 -0.661 10.869 -1.438 1.00 23.44 O ATOM 1210 CB ILE A 74 -1.293 7.651 -0.793 1.00 45.04 C ATOM 1211 CG1 ILE A 74 -0.430 6.406 -0.368 1.00 70.35 C ATOM 1212 CG2 ILE A 74 -1.244 7.857 -2.328 1.00 34.42 C ATOM 1213 CD1 ILE A 74 -0.702 5.121 -1.139 1.00 44.54 C ATOM 0 H ILE A 74 -1.773 8.039 1.647 1.00 14.52 H new ATOM 0 HA ILE A 74 0.273 8.972 -0.073 1.00 54.01 H new ATOM 0 HB ILE A 74 -2.337 7.472 -0.536 1.00 45.04 H new ATOM 0 HG12 ILE A 74 0.624 6.661 -0.483 1.00 70.35 H new ATOM 0 HG13 ILE A 74 -0.598 6.215 0.692 1.00 70.35 H new ATOM 0 HG21 ILE A 74 -1.581 6.949 -2.828 1.00 34.42 H new ATOM 0 HG22 ILE A 74 -1.895 8.687 -2.605 1.00 34.42 H new ATOM 0 HG23 ILE A 74 -0.222 8.081 -2.633 1.00 34.42 H new ATOM 0 HD11 ILE A 74 -0.054 4.328 -0.766 1.00 44.54 H new ATOM 0 HD12 ILE A 74 -1.744 4.830 -1.006 1.00 44.54 H new ATOM 0 HD13 ILE A 74 -0.503 5.283 -2.198 1.00 44.54 H new ATOM 1225 N THR A 75 -2.531 10.713 -0.176 1.00 0.13 N ATOM 1226 CA THR A 75 -3.110 12.000 -0.629 1.00 42.33 C ATOM 1227 C THR A 75 -2.290 13.200 -0.092 1.00 53.22 C ATOM 1228 O THR A 75 -1.907 14.099 -0.857 1.00 74.33 O ATOM 1229 CB THR A 75 -4.613 12.125 -0.199 1.00 72.41 C ATOM 1230 OG1 THR A 75 -5.343 11.031 -0.763 1.00 45.14 O ATOM 1231 CG2 THR A 75 -5.264 13.446 -0.654 1.00 64.34 C ATOM 0 H THR A 75 -3.113 10.211 0.494 1.00 0.13 H new ATOM 0 HA THR A 75 -3.065 12.017 -1.718 1.00 42.33 H new ATOM 0 HB THR A 75 -4.642 12.110 0.891 1.00 72.41 H new ATOM 0 HG1 THR A 75 -5.267 10.250 -0.176 1.00 45.14 H new ATOM 0 HG21 THR A 75 -6.303 13.471 -0.326 1.00 64.34 H new ATOM 0 HG22 THR A 75 -4.725 14.287 -0.217 1.00 64.34 H new ATOM 0 HG23 THR A 75 -5.225 13.515 -1.741 1.00 64.34 H new ATOM 1239 N GLN A 76 -1.998 13.174 1.218 1.00 5.50 N ATOM 1240 CA GLN A 76 -1.287 14.271 1.909 1.00 4.32 C ATOM 1241 C GLN A 76 0.182 14.397 1.461 1.00 0.24 C ATOM 1242 O GLN A 76 0.701 15.513 1.351 1.00 12.43 O ATOM 1243 CB GLN A 76 -1.372 14.091 3.452 1.00 24.21 C ATOM 1244 CG GLN A 76 -2.756 14.416 4.068 1.00 54.45 C ATOM 1245 CD GLN A 76 -2.786 14.296 5.599 1.00 1.14 C ATOM 1246 OE1 GLN A 76 -1.771 14.463 6.277 1.00 13.41 O ATOM 1247 NE2 GLN A 76 -3.956 14.049 6.157 1.00 73.14 N ATOM 0 H GLN A 76 -2.246 12.396 1.830 1.00 5.50 H new ATOM 0 HA GLN A 76 -1.787 15.199 1.630 1.00 4.32 H new ATOM 0 HB2 GLN A 76 -1.113 13.061 3.699 1.00 24.21 H new ATOM 0 HB3 GLN A 76 -0.623 14.729 3.920 1.00 24.21 H new ATOM 0 HG2 GLN A 76 -3.043 15.429 3.785 1.00 54.45 H new ATOM 0 HG3 GLN A 76 -3.501 13.743 3.644 1.00 54.45 H new ATOM 0 HE21 GLN A 76 -4.781 13.915 5.573 1.00 73.14 H new ATOM 0 HE22 GLN A 76 -4.035 13.993 7.172 1.00 73.14 H new ATOM 1256 N THR A 77 0.849 13.258 1.198 1.00 2.42 N ATOM 1257 CA THR A 77 2.274 13.251 0.819 1.00 43.52 C ATOM 1258 C THR A 77 2.447 13.713 -0.640 1.00 52.21 C ATOM 1259 O THR A 77 1.503 13.680 -1.431 1.00 35.42 O ATOM 1260 CB THR A 77 2.944 11.841 1.021 1.00 2.12 C ATOM 1261 OG1 THR A 77 4.372 11.982 0.977 1.00 73.03 O ATOM 1262 CG2 THR A 77 2.514 10.793 -0.035 1.00 53.33 C ATOM 0 H THR A 77 0.424 12.332 1.241 1.00 2.42 H new ATOM 0 HA THR A 77 2.781 13.950 1.484 1.00 43.52 H new ATOM 0 HB THR A 77 2.608 11.475 1.991 1.00 2.12 H new ATOM 0 HG1 THR A 77 4.787 11.279 1.520 1.00 73.03 H new ATOM 0 HG21 THR A 77 3.015 9.846 0.167 1.00 53.33 H new ATOM 0 HG22 THR A 77 1.435 10.650 0.013 1.00 53.33 H new ATOM 0 HG23 THR A 77 2.789 11.144 -1.029 1.00 53.33 H new ATOM 1270 N LYS A 78 3.657 14.173 -0.963 1.00 43.50 N ATOM 1271 CA LYS A 78 4.069 14.531 -2.340 1.00 21.32 C ATOM 1272 C LYS A 78 5.287 13.684 -2.737 1.00 31.41 C ATOM 1273 O LYS A 78 5.858 13.878 -3.814 1.00 53.21 O ATOM 1274 CB LYS A 78 4.384 16.050 -2.432 1.00 2.14 C ATOM 1275 CG LYS A 78 3.197 16.944 -2.010 1.00 43.23 C ATOM 1276 CD LYS A 78 3.544 18.449 -1.981 1.00 25.02 C ATOM 1277 CE LYS A 78 2.390 19.302 -1.422 1.00 60.42 C ATOM 1278 NZ LYS A 78 2.745 20.743 -1.324 1.00 14.01 N ATOM 0 H LYS A 78 4.395 14.313 -0.273 1.00 43.50 H new ATOM 0 HA LYS A 78 3.255 14.322 -3.034 1.00 21.32 H new ATOM 0 HB2 LYS A 78 5.243 16.275 -1.800 1.00 2.14 H new ATOM 0 HB3 LYS A 78 4.669 16.294 -3.455 1.00 2.14 H new ATOM 0 HG2 LYS A 78 2.367 16.783 -2.698 1.00 43.23 H new ATOM 0 HG3 LYS A 78 2.855 16.638 -1.021 1.00 43.23 H new ATOM 0 HD2 LYS A 78 4.435 18.603 -1.372 1.00 25.02 H new ATOM 0 HD3 LYS A 78 3.785 18.784 -2.990 1.00 25.02 H new ATOM 0 HE2 LYS A 78 1.515 19.189 -2.062 1.00 60.42 H new ATOM 0 HE3 LYS A 78 2.113 18.931 -0.435 1.00 60.42 H new ATOM 0 HZ1 LYS A 78 1.936 21.275 -0.943 1.00 14.01 H new ATOM 0 HZ2 LYS A 78 3.563 20.857 -0.692 1.00 14.01 H new ATOM 0 HZ3 LYS A 78 2.984 21.107 -2.269 1.00 14.01 H new ATOM 1292 N GLU A 79 5.662 12.734 -1.850 1.00 35.02 N ATOM 1293 CA GLU A 79 6.760 11.788 -2.080 1.00 53.12 C ATOM 1294 C GLU A 79 6.357 10.762 -3.138 1.00 42.12 C ATOM 1295 O GLU A 79 5.185 10.375 -3.240 1.00 4.44 O ATOM 1296 CB GLU A 79 7.136 11.037 -0.779 1.00 44.24 C ATOM 1297 CG GLU A 79 7.582 11.940 0.384 1.00 1.22 C ATOM 1298 CD GLU A 79 7.840 11.148 1.676 1.00 2.45 C ATOM 1299 OE1 GLU A 79 6.886 10.537 2.206 1.00 73.33 O ATOM 1300 OE2 GLU A 79 8.989 11.130 2.168 1.00 42.44 O ATOM 0 H GLU A 79 5.202 12.608 -0.948 1.00 35.02 H new ATOM 0 HA GLU A 79 7.622 12.362 -2.421 1.00 53.12 H new ATOM 0 HB2 GLU A 79 6.277 10.449 -0.455 1.00 44.24 H new ATOM 0 HB3 GLU A 79 7.938 10.333 -1.002 1.00 44.24 H new ATOM 0 HG2 GLU A 79 8.490 12.472 0.100 1.00 1.22 H new ATOM 0 HG3 GLU A 79 6.816 12.693 0.570 1.00 1.22 H new ATOM 1307 N ARG A 80 7.354 10.323 -3.895 1.00 21.40 N ATOM 1308 CA ARG A 80 7.215 9.291 -4.924 1.00 1.34 C ATOM 1309 C ARG A 80 8.096 8.091 -4.552 1.00 41.40 C ATOM 1310 O ARG A 80 9.184 8.283 -3.979 1.00 60.15 O ATOM 1311 CB ARG A 80 7.611 9.863 -6.316 1.00 31.51 C ATOM 1312 CG ARG A 80 6.581 10.859 -6.877 1.00 61.13 C ATOM 1313 CD ARG A 80 6.996 11.503 -8.214 1.00 24.40 C ATOM 1314 NE ARG A 80 5.956 12.417 -8.731 1.00 44.50 N ATOM 1315 CZ ARG A 80 5.361 12.337 -9.935 1.00 63.00 C ATOM 1316 NH1 ARG A 80 5.670 11.364 -10.790 1.00 24.32 N ATOM 1317 NH2 ARG A 80 4.456 13.246 -10.274 1.00 62.11 N ATOM 0 H ARG A 80 8.306 10.681 -3.812 1.00 21.40 H new ATOM 0 HA ARG A 80 6.177 8.964 -4.981 1.00 1.34 H new ATOM 0 HB2 ARG A 80 8.579 10.358 -6.236 1.00 31.51 H new ATOM 0 HB3 ARG A 80 7.731 9.039 -7.020 1.00 31.51 H new ATOM 0 HG2 ARG A 80 5.630 10.344 -7.013 1.00 61.13 H new ATOM 0 HG3 ARG A 80 6.415 11.647 -6.142 1.00 61.13 H new ATOM 0 HD2 ARG A 80 7.928 12.052 -8.079 1.00 24.40 H new ATOM 0 HD3 ARG A 80 7.191 10.722 -8.949 1.00 24.40 H new ATOM 0 HE ARG A 80 5.662 13.178 -8.119 1.00 44.50 H new ATOM 0 HH11 ARG A 80 6.368 10.664 -10.536 1.00 24.32 H new ATOM 0 HH12 ARG A 80 5.209 11.318 -11.699 1.00 24.32 H new ATOM 0 HH21 ARG A 80 4.218 13.995 -9.624 1.00 62.11 H new ATOM 0 HH22 ARG A 80 3.998 13.195 -11.184 1.00 62.11 H new ATOM 1331 N PRO A 81 7.632 6.829 -4.826 1.00 34.23 N ATOM 1332 CA PRO A 81 8.464 5.625 -4.627 1.00 32.32 C ATOM 1333 C PRO A 81 9.707 5.666 -5.550 1.00 52.13 C ATOM 1334 O PRO A 81 9.594 5.632 -6.781 1.00 34.43 O ATOM 1335 CB PRO A 81 7.504 4.452 -4.981 1.00 1.44 C ATOM 1336 CG PRO A 81 6.119 5.033 -4.942 1.00 50.32 C ATOM 1337 CD PRO A 81 6.272 6.488 -5.319 1.00 55.05 C ATOM 0 HA PRO A 81 8.862 5.532 -3.617 1.00 32.32 H new ATOM 0 HB2 PRO A 81 7.730 4.045 -5.967 1.00 1.44 H new ATOM 0 HB3 PRO A 81 7.606 3.634 -4.268 1.00 1.44 H new ATOM 0 HG2 PRO A 81 5.458 4.516 -5.638 1.00 50.32 H new ATOM 0 HG3 PRO A 81 5.680 4.930 -3.950 1.00 50.32 H new ATOM 0 HD2 PRO A 81 6.186 6.636 -6.396 1.00 55.05 H new ATOM 0 HD3 PRO A 81 5.507 7.107 -4.850 1.00 55.05 H new ATOM 1345 N ARG A 82 10.882 5.714 -4.931 1.00 73.04 N ATOM 1346 CA ARG A 82 12.165 5.948 -5.612 1.00 22.21 C ATOM 1347 C ARG A 82 13.068 4.722 -5.405 1.00 50.12 C ATOM 1348 O ARG A 82 12.812 3.924 -4.502 1.00 41.33 O ATOM 1349 CB ARG A 82 12.803 7.246 -5.032 1.00 33.12 C ATOM 1350 CG ARG A 82 14.022 7.791 -5.807 1.00 23.11 C ATOM 1351 CD ARG A 82 13.658 8.255 -7.228 1.00 1.35 C ATOM 1352 NE ARG A 82 14.817 8.768 -7.975 1.00 21.24 N ATOM 1353 CZ ARG A 82 14.742 9.489 -9.105 1.00 65.42 C ATOM 1354 NH1 ARG A 82 13.554 9.792 -9.643 1.00 74.42 N ATOM 1355 NH2 ARG A 82 15.865 9.893 -9.683 1.00 2.34 N ATOM 0 H ARG A 82 10.979 5.590 -3.923 1.00 73.04 H new ATOM 0 HA ARG A 82 12.027 6.085 -6.684 1.00 22.21 H new ATOM 0 HB2 ARG A 82 12.039 8.022 -4.999 1.00 33.12 H new ATOM 0 HB3 ARG A 82 13.106 7.053 -4.003 1.00 33.12 H new ATOM 0 HG2 ARG A 82 14.455 8.626 -5.256 1.00 23.11 H new ATOM 0 HG3 ARG A 82 14.787 7.017 -5.866 1.00 23.11 H new ATOM 0 HD2 ARG A 82 13.218 7.422 -7.776 1.00 1.35 H new ATOM 0 HD3 ARG A 82 12.897 9.033 -7.167 1.00 1.35 H new ATOM 0 HE ARG A 82 15.746 8.561 -7.607 1.00 21.24 H new ATOM 0 HH11 ARG A 82 12.695 9.474 -9.194 1.00 74.42 H new ATOM 0 HH12 ARG A 82 13.508 10.340 -10.502 1.00 74.42 H new ATOM 0 HH21 ARG A 82 16.766 9.655 -9.269 1.00 2.34 H new ATOM 0 HH22 ARG A 82 15.828 10.442 -10.542 1.00 2.34 H new ATOM 1369 N LEU A 83 14.100 4.567 -6.251 1.00 53.53 N ATOM 1370 CA LEU A 83 15.032 3.424 -6.204 1.00 32.12 C ATOM 1371 C LEU A 83 15.716 3.299 -4.813 1.00 5.10 C ATOM 1372 O LEU A 83 16.697 3.982 -4.521 1.00 64.50 O ATOM 1373 CB LEU A 83 16.078 3.555 -7.344 1.00 2.03 C ATOM 1374 CG LEU A 83 17.046 2.344 -7.545 1.00 3.04 C ATOM 1375 CD1 LEU A 83 16.264 1.042 -7.832 1.00 54.23 C ATOM 1376 CD2 LEU A 83 18.071 2.642 -8.664 1.00 14.23 C ATOM 0 H LEU A 83 14.314 5.235 -6.992 1.00 53.53 H new ATOM 0 HA LEU A 83 14.464 2.506 -6.355 1.00 32.12 H new ATOM 0 HB2 LEU A 83 15.544 3.724 -8.279 1.00 2.03 H new ATOM 0 HB3 LEU A 83 16.679 4.444 -7.155 1.00 2.03 H new ATOM 0 HG LEU A 83 17.596 2.195 -6.616 1.00 3.04 H new ATOM 0 HD11 LEU A 83 16.965 0.219 -7.967 1.00 54.23 H new ATOM 0 HD12 LEU A 83 15.603 0.822 -6.993 1.00 54.23 H new ATOM 0 HD13 LEU A 83 15.671 1.166 -8.738 1.00 54.23 H new ATOM 0 HD21 LEU A 83 18.735 1.786 -8.787 1.00 14.23 H new ATOM 0 HD22 LEU A 83 17.544 2.830 -9.599 1.00 14.23 H new ATOM 0 HD23 LEU A 83 18.658 3.520 -8.395 1.00 14.23 H new ATOM 1388 N GLY A 84 15.122 2.451 -3.951 1.00 42.05 N ATOM 1389 CA GLY A 84 15.580 2.248 -2.568 1.00 33.50 C ATOM 1390 C GLY A 84 14.615 2.853 -1.556 1.00 65.34 C ATOM 1391 O GLY A 84 14.438 2.315 -0.463 1.00 22.32 O ATOM 0 H GLY A 84 14.309 1.887 -4.198 1.00 42.05 H new ATOM 0 HA2 GLY A 84 15.688 1.181 -2.374 1.00 33.50 H new ATOM 0 HA3 GLY A 84 16.566 2.696 -2.442 1.00 33.50 H new ATOM 1395 N LYS A 85 13.975 3.966 -1.939 1.00 51.32 N ATOM 1396 CA LYS A 85 13.020 4.691 -1.089 1.00 71.02 C ATOM 1397 C LYS A 85 11.586 4.154 -1.296 1.00 63.21 C ATOM 1398 O LYS A 85 10.965 4.399 -2.336 1.00 61.30 O ATOM 1399 CB LYS A 85 13.061 6.208 -1.424 1.00 33.32 C ATOM 1400 CG LYS A 85 12.200 7.091 -0.491 1.00 5.24 C ATOM 1401 CD LYS A 85 12.079 8.557 -0.974 1.00 61.21 C ATOM 1402 CE LYS A 85 11.327 9.445 0.033 1.00 22.44 C ATOM 1403 NZ LYS A 85 9.984 8.897 0.376 1.00 44.42 N ATOM 0 H LYS A 85 14.107 4.393 -2.856 1.00 51.32 H new ATOM 0 HA LYS A 85 13.303 4.539 -0.047 1.00 71.02 H new ATOM 0 HB2 LYS A 85 14.095 6.550 -1.377 1.00 33.32 H new ATOM 0 HB3 LYS A 85 12.725 6.350 -2.451 1.00 33.32 H new ATOM 0 HG2 LYS A 85 11.203 6.659 -0.412 1.00 5.24 H new ATOM 0 HG3 LYS A 85 12.633 7.080 0.509 1.00 5.24 H new ATOM 0 HD2 LYS A 85 13.076 8.965 -1.141 1.00 61.21 H new ATOM 0 HD3 LYS A 85 11.560 8.580 -1.933 1.00 61.21 H new ATOM 0 HE2 LYS A 85 11.920 9.543 0.942 1.00 22.44 H new ATOM 0 HE3 LYS A 85 11.213 10.446 -0.383 1.00 22.44 H new ATOM 0 HZ1 LYS A 85 9.543 9.491 1.107 1.00 44.42 H new ATOM 0 HZ2 LYS A 85 9.384 8.891 -0.474 1.00 44.42 H new ATOM 0 HZ3 LYS A 85 10.086 7.926 0.734 1.00 44.42 H new ATOM 1417 N ALA A 86 11.079 3.406 -0.317 1.00 51.52 N ATOM 1418 CA ALA A 86 9.659 3.021 -0.260 1.00 42.42 C ATOM 1419 C ALA A 86 8.840 4.157 0.381 1.00 54.53 C ATOM 1420 O ALA A 86 9.376 4.936 1.181 1.00 32.43 O ATOM 1421 CB ALA A 86 9.499 1.718 0.540 1.00 13.32 C ATOM 0 H ALA A 86 11.635 3.048 0.460 1.00 51.52 H new ATOM 0 HA ALA A 86 9.289 2.850 -1.271 1.00 42.42 H new ATOM 0 HB1 ALA A 86 8.445 1.441 0.577 1.00 13.32 H new ATOM 0 HB2 ALA A 86 10.067 0.923 0.057 1.00 13.32 H new ATOM 0 HB3 ALA A 86 9.871 1.865 1.554 1.00 13.32 H new ATOM 1427 N VAL A 87 7.553 4.263 0.016 1.00 71.33 N ATOM 1428 CA VAL A 87 6.615 5.176 0.693 1.00 22.02 C ATOM 1429 C VAL A 87 6.041 4.433 1.914 1.00 61.15 C ATOM 1430 O VAL A 87 5.043 3.710 1.810 1.00 53.35 O ATOM 1431 CB VAL A 87 5.482 5.704 -0.281 1.00 63.14 C ATOM 1432 CG1 VAL A 87 4.479 6.643 0.436 1.00 21.21 C ATOM 1433 CG2 VAL A 87 6.108 6.413 -1.505 1.00 22.13 C ATOM 0 H VAL A 87 7.136 3.727 -0.745 1.00 71.33 H new ATOM 0 HA VAL A 87 7.141 6.072 1.021 1.00 22.02 H new ATOM 0 HB VAL A 87 4.920 4.834 -0.621 1.00 63.14 H new ATOM 0 HG11 VAL A 87 3.723 6.978 -0.274 1.00 21.21 H new ATOM 0 HG12 VAL A 87 3.997 6.105 1.253 1.00 21.21 H new ATOM 0 HG13 VAL A 87 5.011 7.507 0.834 1.00 21.21 H new ATOM 0 HG21 VAL A 87 5.316 6.769 -2.164 1.00 22.13 H new ATOM 0 HG22 VAL A 87 6.708 7.259 -1.168 1.00 22.13 H new ATOM 0 HG23 VAL A 87 6.742 5.711 -2.047 1.00 22.13 H new ATOM 1443 N SER A 88 6.741 4.568 3.057 1.00 55.52 N ATOM 1444 CA SER A 88 6.415 3.844 4.295 1.00 13.20 C ATOM 1445 C SER A 88 5.263 4.559 5.018 1.00 62.50 C ATOM 1446 O SER A 88 5.448 5.646 5.576 1.00 71.34 O ATOM 1447 CB SER A 88 7.668 3.744 5.201 1.00 71.33 C ATOM 1448 OG SER A 88 7.425 2.968 6.366 1.00 3.10 O ATOM 0 H SER A 88 7.549 5.184 3.145 1.00 55.52 H new ATOM 0 HA SER A 88 6.096 2.830 4.053 1.00 13.20 H new ATOM 0 HB2 SER A 88 8.489 3.302 4.636 1.00 71.33 H new ATOM 0 HB3 SER A 88 7.985 4.745 5.493 1.00 71.33 H new ATOM 0 HG SER A 88 8.240 2.929 6.909 1.00 3.10 H new ATOM 1454 N ILE A 89 4.076 3.945 4.954 1.00 12.22 N ATOM 1455 CA ILE A 89 2.830 4.474 5.532 1.00 75.32 C ATOM 1456 C ILE A 89 2.652 3.926 6.963 1.00 2.33 C ATOM 1457 O ILE A 89 2.404 2.726 7.116 1.00 63.14 O ATOM 1458 CB ILE A 89 1.600 4.041 4.648 1.00 63.44 C ATOM 1459 CG1 ILE A 89 1.812 4.494 3.167 1.00 4.13 C ATOM 1460 CG2 ILE A 89 0.264 4.578 5.230 1.00 41.54 C ATOM 1461 CD1 ILE A 89 0.776 3.987 2.192 1.00 1.25 C ATOM 0 H ILE A 89 3.950 3.046 4.489 1.00 12.22 H new ATOM 0 HA ILE A 89 2.885 5.562 5.561 1.00 75.32 H new ATOM 0 HB ILE A 89 1.533 2.953 4.662 1.00 63.44 H new ATOM 0 HG12 ILE A 89 1.819 5.583 3.133 1.00 4.13 H new ATOM 0 HG13 ILE A 89 2.795 4.158 2.837 1.00 4.13 H new ATOM 0 HG21 ILE A 89 -0.563 4.260 4.595 1.00 41.54 H new ATOM 0 HG22 ILE A 89 0.121 4.184 6.236 1.00 41.54 H new ATOM 0 HG23 ILE A 89 0.295 5.667 5.268 1.00 41.54 H new ATOM 0 HD11 ILE A 89 1.007 4.353 1.192 1.00 1.25 H new ATOM 0 HD12 ILE A 89 0.781 2.897 2.189 1.00 1.25 H new ATOM 0 HD13 ILE A 89 -0.210 4.344 2.490 1.00 1.25 H new ATOM 1473 N PRO A 90 2.799 4.762 8.036 1.00 31.25 N ATOM 1474 CA PRO A 90 2.503 4.321 9.414 1.00 51.24 C ATOM 1475 C PRO A 90 0.990 4.074 9.581 1.00 52.24 C ATOM 1476 O PRO A 90 0.188 5.013 9.463 1.00 72.44 O ATOM 1477 CB PRO A 90 3.013 5.499 10.306 1.00 1.20 C ATOM 1478 CG PRO A 90 3.870 6.336 9.390 1.00 74.02 C ATOM 1479 CD PRO A 90 3.279 6.168 8.011 1.00 33.41 C ATOM 0 HA PRO A 90 2.983 3.380 9.682 1.00 51.24 H new ATOM 0 HB2 PRO A 90 2.182 6.078 10.708 1.00 1.20 H new ATOM 0 HB3 PRO A 90 3.586 5.131 11.157 1.00 1.20 H new ATOM 0 HG2 PRO A 90 3.862 7.383 9.694 1.00 74.02 H new ATOM 0 HG3 PRO A 90 4.908 6.005 9.414 1.00 74.02 H new ATOM 0 HD2 PRO A 90 2.466 6.871 7.829 1.00 33.41 H new ATOM 0 HD3 PRO A 90 4.021 6.330 7.229 1.00 33.41 H new ATOM 1487 N LEU A 91 0.603 2.810 9.806 1.00 42.31 N ATOM 1488 CA LEU A 91 -0.802 2.440 9.991 1.00 71.14 C ATOM 1489 C LEU A 91 -1.193 2.705 11.442 1.00 22.00 C ATOM 1490 O LEU A 91 -0.937 1.876 12.329 1.00 61.22 O ATOM 1491 CB LEU A 91 -1.036 0.958 9.612 1.00 73.52 C ATOM 1492 CG LEU A 91 -0.632 0.549 8.165 1.00 42.34 C ATOM 1493 CD1 LEU A 91 -0.917 -0.946 7.924 1.00 53.20 C ATOM 1494 CD2 LEU A 91 -1.329 1.440 7.117 1.00 35.32 C ATOM 0 H LEU A 91 1.251 2.024 9.864 1.00 42.31 H new ATOM 0 HA LEU A 91 -1.428 3.043 9.333 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -0.482 0.333 10.312 1.00 73.52 H new ATOM 0 HB3 LEU A 91 -2.093 0.731 9.750 1.00 73.52 H new ATOM 0 HG LEU A 91 0.441 0.704 8.053 1.00 42.34 H new ATOM 0 HD11 LEU A 91 -0.628 -1.212 6.907 1.00 53.20 H new ATOM 0 HD12 LEU A 91 -0.344 -1.544 8.633 1.00 53.20 H new ATOM 0 HD13 LEU A 91 -1.981 -1.140 8.061 1.00 53.20 H new ATOM 0 HD21 LEU A 91 -1.027 1.130 6.117 1.00 35.32 H new ATOM 0 HD22 LEU A 91 -2.410 1.341 7.216 1.00 35.32 H new ATOM 0 HD23 LEU A 91 -1.044 2.480 7.276 1.00 35.32 H new ATOM 1506 N ASP A 92 -1.742 3.903 11.690 1.00 52.33 N ATOM 1507 CA ASP A 92 -2.198 4.292 13.025 1.00 42.31 C ATOM 1508 C ASP A 92 -3.489 3.521 13.336 1.00 20.01 C ATOM 1509 O ASP A 92 -4.561 3.834 12.803 1.00 73.23 O ATOM 1510 CB ASP A 92 -2.418 5.827 13.137 1.00 13.12 C ATOM 1511 CG ASP A 92 -2.624 6.316 14.597 1.00 21.24 C ATOM 1512 OD1 ASP A 92 -3.684 6.027 15.199 1.00 43.14 O ATOM 1513 OD2 ASP A 92 -1.724 6.995 15.154 1.00 54.34 O ATOM 0 H ASP A 92 -1.880 4.620 10.977 1.00 52.33 H new ATOM 0 HA ASP A 92 -1.429 4.041 13.756 1.00 42.31 H new ATOM 0 HB2 ASP A 92 -1.559 6.342 12.707 1.00 13.12 H new ATOM 0 HB3 ASP A 92 -3.288 6.106 12.542 1.00 13.12 H new ATOM 1518 N LEU A 93 -3.354 2.472 14.151 1.00 14.00 N ATOM 1519 CA LEU A 93 -4.478 1.643 14.599 1.00 50.54 C ATOM 1520 C LEU A 93 -4.814 1.961 16.066 1.00 31.32 C ATOM 1521 O LEU A 93 -5.453 1.157 16.732 1.00 61.03 O ATOM 1522 CB LEU A 93 -4.125 0.135 14.415 1.00 53.43 C ATOM 1523 CG LEU A 93 -3.711 -0.311 12.972 1.00 73.14 C ATOM 1524 CD1 LEU A 93 -3.417 -1.828 12.920 1.00 34.43 C ATOM 1525 CD2 LEU A 93 -4.773 0.093 11.922 1.00 3.43 C ATOM 0 H LEU A 93 -2.453 2.171 14.523 1.00 14.00 H new ATOM 0 HA LEU A 93 -5.358 1.865 13.996 1.00 50.54 H new ATOM 0 HB2 LEU A 93 -3.310 -0.111 15.096 1.00 53.43 H new ATOM 0 HB3 LEU A 93 -4.987 -0.458 14.722 1.00 53.43 H new ATOM 0 HG LEU A 93 -2.791 0.216 12.719 1.00 73.14 H new ATOM 0 HD11 LEU A 93 -3.132 -2.109 11.906 1.00 34.43 H new ATOM 0 HD12 LEU A 93 -2.602 -2.064 13.604 1.00 34.43 H new ATOM 0 HD13 LEU A 93 -4.309 -2.382 13.213 1.00 34.43 H new ATOM 0 HD21 LEU A 93 -4.450 -0.234 10.934 1.00 3.43 H new ATOM 0 HD22 LEU A 93 -5.725 -0.379 12.167 1.00 3.43 H new ATOM 0 HD23 LEU A 93 -4.894 1.176 11.925 1.00 3.43 H new