USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= -0.137 X(o=-0.18,f=-0.2) USER MOD Set 1.2: A 85 MET CE :methyl -145:sc= -0.0439 (180deg=-1.68!) USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.661! (180deg=-1!) USER MOD Single : A 2 SER OG : rot 55:sc= 0.0797 USER MOD Single : A 4 THR OG1 : rot 66:sc= 1.16 USER MOD Single : A 11 SER OG : rot 17:sc= 1.87 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 113:sc= 1.28 USER MOD Single : A 24 ASN : amide:sc= 0.368 K(o=0.37,f=-3.7!) USER MOD Single : A 37 THR OG1 : rot 91:sc= 0.313 USER MOD Single : A 48 THR OG1 : rot 4:sc= 0.977 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= -0.183 (180deg=-1.34) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= 1.23 (180deg=-0.00636) USER MOD Single : A 59 MET CE :methyl -150:sc= 0 (180deg=-0.343) USER MOD Single : A 61 MET CE :methyl -165:sc= 0 (180deg=-0.28) USER MOD Single : A 72 LYS NZ :NH3+ -117:sc= 0.132 (180deg=-0.349!) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.114 (180deg=-1.05!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= 1.55 (180deg=-1.11!) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -0.158 (180deg=-1.64) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 1.81 (180deg=1.45) USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= 0.296! (180deg=0.147!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.602 -5.537 10.145 1.00 11.44 N ATOM 2 CA GLY A 1 14.059 -6.892 10.299 1.00 11.62 C ATOM 3 C GLY A 1 12.900 -7.058 9.346 1.00 11.51 C ATOM 4 O GLY A 1 13.105 -6.968 8.142 1.00 12.42 O ATOM 0 H1 GLY A 1 15.531 -5.481 10.609 1.00 11.44 H new ATOM 0 H2 GLY A 1 14.706 -5.317 9.134 1.00 11.44 H new ATOM 0 H3 GLY A 1 13.954 -4.852 10.583 1.00 11.44 H new ATOM 0 HA2 GLY A 1 14.830 -7.634 10.090 1.00 11.62 H new ATOM 0 HA3 GLY A 1 13.731 -7.053 11.326 1.00 11.62 H new ATOM 10 N SER A 2 11.699 -7.246 9.885 1.00 10.67 N ATOM 11 CA SER A 2 10.437 -7.229 9.131 1.00 10.39 C ATOM 12 C SER A 2 9.284 -6.737 10.036 1.00 8.64 C ATOM 13 O SER A 2 8.337 -7.473 10.318 1.00 8.61 O ATOM 14 CB SER A 2 10.172 -8.623 8.525 1.00 11.69 C ATOM 15 OG SER A 2 10.149 -9.635 9.519 1.00 12.14 O ATOM 0 H SER A 2 11.567 -7.419 10.881 1.00 10.67 H new ATOM 0 HA SER A 2 10.507 -6.526 8.301 1.00 10.39 H new ATOM 0 HB2 SER A 2 9.220 -8.613 7.994 1.00 11.69 H new ATOM 0 HB3 SER A 2 10.944 -8.853 7.791 1.00 11.69 H new ATOM 0 HG SER A 2 9.501 -9.396 10.214 1.00 12.14 H new ATOM 21 N PHE A 3 9.415 -5.514 10.566 1.00 7.53 N ATOM 22 CA PHE A 3 8.683 -5.032 11.755 1.00 6.08 C ATOM 23 C PHE A 3 7.141 -4.997 11.687 1.00 5.08 C ATOM 24 O PHE A 3 6.521 -4.935 12.746 1.00 5.38 O ATOM 25 CB PHE A 3 9.236 -3.648 12.146 1.00 6.33 C ATOM 26 CG PHE A 3 10.600 -3.583 12.825 1.00 7.73 C ATOM 27 CD1 PHE A 3 11.412 -4.720 13.035 1.00 9.10 C ATOM 28 CD2 PHE A 3 11.037 -2.331 13.304 1.00 8.24 C ATOM 29 CE1 PHE A 3 12.639 -4.603 13.715 1.00 10.67 C ATOM 30 CE2 PHE A 3 12.260 -2.214 13.985 1.00 9.87 C ATOM 31 CZ PHE A 3 13.064 -3.349 14.190 1.00 10.97 C ATOM 0 H PHE A 3 10.045 -4.814 10.175 1.00 7.53 H new ATOM 0 HA PHE A 3 8.867 -5.791 12.515 1.00 6.08 H new ATOM 0 HB2 PHE A 3 9.285 -3.041 11.242 1.00 6.33 H new ATOM 0 HB3 PHE A 3 8.511 -3.175 12.809 1.00 6.33 H new ATOM 0 HD1 PHE A 3 11.089 -5.685 12.672 1.00 9.10 H new ATOM 0 HD2 PHE A 3 10.426 -1.454 13.146 1.00 8.24 H new ATOM 0 HE1 PHE A 3 13.254 -5.476 13.872 1.00 10.67 H new ATOM 0 HE2 PHE A 3 12.583 -1.251 14.352 1.00 9.87 H new ATOM 0 HZ PHE A 3 14.006 -3.258 14.711 1.00 10.97 H new ATOM 41 N THR A 4 6.510 -5.085 10.504 1.00 4.64 N ATOM 42 CA THR A 4 5.069 -5.421 10.352 1.00 4.48 C ATOM 43 C THR A 4 4.119 -4.306 10.852 1.00 2.77 C ATOM 44 O THR A 4 2.935 -4.537 11.066 1.00 3.54 O ATOM 45 CB THR A 4 4.811 -6.825 10.956 1.00 5.87 C ATOM 46 OG1 THR A 4 5.587 -7.748 10.221 1.00 6.76 O ATOM 47 CG2 THR A 4 3.382 -7.363 10.881 1.00 7.21 C ATOM 0 H THR A 4 6.982 -4.925 9.614 1.00 4.64 H new ATOM 0 HA THR A 4 4.824 -5.474 9.291 1.00 4.48 H new ATOM 0 HB THR A 4 5.052 -6.715 12.013 1.00 5.87 H new ATOM 0 HG1 THR A 4 6.539 -7.571 10.375 1.00 6.76 H new ATOM 0 HG21 THR A 4 3.341 -8.351 11.339 1.00 7.21 H new ATOM 0 HG22 THR A 4 2.711 -6.689 11.413 1.00 7.21 H new ATOM 0 HG23 THR A 4 3.074 -7.433 9.838 1.00 7.21 H new ATOM 55 N GLU A 5 4.602 -3.065 10.971 1.00 1.58 N ATOM 56 CA GLU A 5 3.859 -1.894 11.472 1.00 1.42 C ATOM 57 C GLU A 5 2.873 -1.342 10.412 1.00 1.19 C ATOM 58 O GLU A 5 2.967 -0.186 9.989 1.00 1.47 O ATOM 59 CB GLU A 5 4.860 -0.780 11.867 1.00 3.10 C ATOM 60 CG GLU A 5 5.954 -1.135 12.879 1.00 4.19 C ATOM 61 CD GLU A 5 7.118 -0.153 12.725 1.00 5.71 C ATOM 62 OE1 GLU A 5 7.058 0.941 13.327 1.00 6.82 O ATOM 63 OE2 GLU A 5 8.055 -0.503 11.967 1.00 6.30 O ATOM 0 H GLU A 5 5.561 -2.835 10.711 1.00 1.58 H new ATOM 0 HA GLU A 5 3.280 -2.211 12.339 1.00 1.42 H new ATOM 0 HB2 GLU A 5 5.346 -0.427 10.957 1.00 3.10 H new ATOM 0 HB3 GLU A 5 4.289 0.057 12.269 1.00 3.10 H new ATOM 0 HG2 GLU A 5 5.557 -1.091 13.893 1.00 4.19 H new ATOM 0 HG3 GLU A 5 6.300 -2.156 12.716 1.00 4.19 H new ATOM 70 N GLY A 6 1.941 -2.158 9.909 1.00 1.13 N ATOM 71 CA GLY A 6 1.040 -1.772 8.821 1.00 0.95 C ATOM 72 C GLY A 6 -0.359 -2.345 8.968 1.00 0.78 C ATOM 73 O GLY A 6 -0.584 -3.243 9.773 1.00 0.84 O ATOM 0 H GLY A 6 1.791 -3.108 10.247 1.00 1.13 H new ATOM 0 HA2 GLY A 6 0.977 -0.685 8.779 1.00 0.95 H new ATOM 0 HA3 GLY A 6 1.463 -2.104 7.873 1.00 0.95 H new ATOM 77 N TRP A 7 -1.292 -1.860 8.145 1.00 0.72 N ATOM 78 CA TRP A 7 -2.700 -2.261 8.211 1.00 0.69 C ATOM 79 C TRP A 7 -3.468 -2.077 6.888 1.00 0.63 C ATOM 80 O TRP A 7 -2.938 -1.548 5.907 1.00 0.69 O ATOM 81 CB TRP A 7 -3.379 -1.520 9.370 1.00 0.84 C ATOM 82 CG TRP A 7 -3.817 -0.121 9.090 1.00 0.73 C ATOM 83 CD1 TRP A 7 -5.094 0.245 8.867 1.00 0.80 C ATOM 84 CD2 TRP A 7 -3.042 1.118 9.069 1.00 0.95 C ATOM 85 NE1 TRP A 7 -5.192 1.616 8.817 1.00 1.03 N ATOM 86 CE2 TRP A 7 -3.953 2.209 8.928 1.00 1.16 C ATOM 87 CE3 TRP A 7 -1.674 1.436 9.200 1.00 1.23 C ATOM 88 CZ2 TRP A 7 -3.529 3.545 8.949 1.00 1.58 C ATOM 89 CZ3 TRP A 7 -1.233 2.772 9.201 1.00 1.63 C ATOM 90 CH2 TRP A 7 -2.161 3.824 9.087 1.00 1.79 C ATOM 0 H TRP A 7 -1.093 -1.178 7.413 1.00 0.72 H new ATOM 0 HA TRP A 7 -2.724 -3.335 8.393 1.00 0.69 H new ATOM 0 HB2 TRP A 7 -4.250 -2.096 9.682 1.00 0.84 H new ATOM 0 HB3 TRP A 7 -2.691 -1.501 10.215 1.00 0.84 H new ATOM 0 HD1 TRP A 7 -5.921 -0.439 8.745 1.00 0.80 H new ATOM 0 HE1 TRP A 7 -6.068 2.127 8.711 1.00 1.03 H new ATOM 0 HE3 TRP A 7 -0.952 0.639 9.301 1.00 1.23 H new ATOM 0 HZ2 TRP A 7 -4.245 4.348 8.860 1.00 1.58 H new ATOM 0 HZ3 TRP A 7 -0.179 2.991 9.290 1.00 1.63 H new ATOM 0 HH2 TRP A 7 -1.819 4.848 9.106 1.00 1.79 H new ATOM 101 N VAL A 8 -4.725 -2.531 6.883 1.00 0.84 N ATOM 102 CA VAL A 8 -5.703 -2.447 5.780 1.00 0.88 C ATOM 103 C VAL A 8 -6.929 -1.635 6.232 1.00 0.96 C ATOM 104 O VAL A 8 -7.402 -1.812 7.356 1.00 1.03 O ATOM 105 CB VAL A 8 -6.158 -3.866 5.346 1.00 1.00 C ATOM 106 CG1 VAL A 8 -7.184 -3.822 4.198 1.00 1.15 C ATOM 107 CG2 VAL A 8 -4.967 -4.726 4.894 1.00 1.00 C ATOM 0 H VAL A 8 -5.118 -2.999 7.700 1.00 0.84 H new ATOM 0 HA VAL A 8 -5.227 -1.954 4.933 1.00 0.88 H new ATOM 0 HB VAL A 8 -6.624 -4.310 6.226 1.00 1.00 H new ATOM 0 HG11 VAL A 8 -7.473 -4.838 3.929 1.00 1.15 H new ATOM 0 HG12 VAL A 8 -8.066 -3.267 4.519 1.00 1.15 H new ATOM 0 HG13 VAL A 8 -6.741 -3.329 3.333 1.00 1.15 H new ATOM 0 HG21 VAL A 8 -5.323 -5.713 4.597 1.00 1.00 H new ATOM 0 HG22 VAL A 8 -4.474 -4.248 4.047 1.00 1.00 H new ATOM 0 HG23 VAL A 8 -4.259 -4.828 5.716 1.00 1.00 H new ATOM 117 N ARG A 9 -7.453 -0.779 5.341 1.00 0.95 N ATOM 118 CA ARG A 9 -8.716 -0.050 5.515 1.00 0.94 C ATOM 119 C ARG A 9 -9.867 -0.777 4.796 1.00 0.87 C ATOM 120 O ARG A 9 -9.953 -0.746 3.564 1.00 1.84 O ATOM 121 CB ARG A 9 -8.534 1.394 5.002 1.00 1.35 C ATOM 122 CG ARG A 9 -9.782 2.283 5.170 1.00 1.52 C ATOM 123 CD ARG A 9 -10.572 2.527 3.870 1.00 1.76 C ATOM 124 NE ARG A 9 -9.983 3.596 3.031 1.00 2.18 N ATOM 125 CZ ARG A 9 -10.635 4.326 2.123 1.00 3.23 C ATOM 126 NH1 ARG A 9 -11.873 4.058 1.752 1.00 3.83 N ATOM 127 NH2 ARG A 9 -10.047 5.367 1.566 1.00 4.38 N ATOM 0 H ARG A 9 -6.995 -0.570 4.454 1.00 0.95 H new ATOM 0 HA ARG A 9 -8.981 -0.012 6.572 1.00 0.94 H new ATOM 0 HB2 ARG A 9 -7.699 1.854 5.531 1.00 1.35 H new ATOM 0 HB3 ARG A 9 -8.263 1.362 3.947 1.00 1.35 H new ATOM 0 HG2 ARG A 9 -10.445 1.822 5.902 1.00 1.52 H new ATOM 0 HG3 ARG A 9 -9.475 3.245 5.580 1.00 1.52 H new ATOM 0 HD2 ARG A 9 -10.612 1.601 3.296 1.00 1.76 H new ATOM 0 HD3 ARG A 9 -11.600 2.792 4.119 1.00 1.76 H new ATOM 0 HE ARG A 9 -8.990 3.792 3.158 1.00 2.18 H new ATOM 0 HH11 ARG A 9 -12.369 3.267 2.163 1.00 3.83 H new ATOM 0 HH12 ARG A 9 -12.334 4.642 1.054 1.00 3.83 H new ATOM 0 HH21 ARG A 9 -9.093 5.615 1.829 1.00 4.38 H new ATOM 0 HH22 ARG A 9 -10.546 5.924 0.872 1.00 4.38 H new ATOM 141 N PHE A 10 -10.785 -1.366 5.571 1.00 0.73 N ATOM 142 CA PHE A 10 -12.072 -1.887 5.087 1.00 0.82 C ATOM 143 C PHE A 10 -12.834 -0.816 4.294 1.00 0.86 C ATOM 144 O PHE A 10 -12.746 0.380 4.586 1.00 1.17 O ATOM 145 CB PHE A 10 -12.896 -2.367 6.300 1.00 1.25 C ATOM 146 CG PHE A 10 -14.405 -2.458 6.140 1.00 1.43 C ATOM 147 CD1 PHE A 10 -15.189 -1.284 6.148 1.00 1.97 C ATOM 148 CD2 PHE A 10 -15.038 -3.709 6.046 1.00 3.08 C ATOM 149 CE1 PHE A 10 -16.583 -1.358 5.996 1.00 2.12 C ATOM 150 CE2 PHE A 10 -16.440 -3.785 5.949 1.00 3.16 C ATOM 151 CZ PHE A 10 -17.212 -2.610 5.903 1.00 1.79 C ATOM 0 H PHE A 10 -10.653 -1.497 6.574 1.00 0.73 H new ATOM 0 HA PHE A 10 -11.897 -2.724 4.411 1.00 0.82 H new ATOM 0 HB2 PHE A 10 -12.529 -3.353 6.585 1.00 1.25 H new ATOM 0 HB3 PHE A 10 -12.687 -1.696 7.133 1.00 1.25 H new ATOM 0 HD1 PHE A 10 -14.713 -0.322 6.272 1.00 1.97 H new ATOM 0 HD2 PHE A 10 -14.448 -4.613 6.048 1.00 3.08 H new ATOM 0 HE1 PHE A 10 -17.171 -0.453 5.951 1.00 2.12 H new ATOM 0 HE2 PHE A 10 -16.925 -4.749 5.910 1.00 3.16 H new ATOM 0 HZ PHE A 10 -18.285 -2.671 5.796 1.00 1.79 H new ATOM 161 N SER A 11 -13.646 -1.223 3.319 1.00 1.16 N ATOM 162 CA SER A 11 -14.647 -0.393 2.661 1.00 1.45 C ATOM 163 C SER A 11 -15.669 -1.284 1.934 1.00 1.80 C ATOM 164 O SER A 11 -15.273 -2.337 1.437 1.00 2.17 O ATOM 165 CB SER A 11 -13.928 0.519 1.664 1.00 1.96 C ATOM 166 OG SER A 11 -13.371 1.631 2.352 1.00 3.02 O ATOM 0 H SER A 11 -13.622 -2.175 2.954 1.00 1.16 H new ATOM 0 HA SER A 11 -15.184 0.210 3.394 1.00 1.45 H new ATOM 0 HB2 SER A 11 -13.142 -0.035 1.150 1.00 1.96 H new ATOM 0 HB3 SER A 11 -14.626 0.863 0.901 1.00 1.96 H new ATOM 0 HG SER A 11 -13.337 1.438 3.312 1.00 3.02 H new ATOM 172 N PRO A 12 -16.953 -0.883 1.828 1.00 1.89 N ATOM 173 CA PRO A 12 -18.013 -1.644 1.154 1.00 2.23 C ATOM 174 C PRO A 12 -17.985 -1.444 -0.377 1.00 2.45 C ATOM 175 O PRO A 12 -19.005 -1.195 -1.018 1.00 3.28 O ATOM 176 CB PRO A 12 -19.300 -1.136 1.801 1.00 2.32 C ATOM 177 CG PRO A 12 -18.988 0.346 1.997 1.00 2.17 C ATOM 178 CD PRO A 12 -17.524 0.314 2.436 1.00 1.84 C ATOM 0 HA PRO A 12 -17.900 -2.722 1.274 1.00 2.23 H new ATOM 0 HB2 PRO A 12 -20.168 -1.290 1.160 1.00 2.32 H new ATOM 0 HB3 PRO A 12 -19.508 -1.638 2.746 1.00 2.32 H new ATOM 0 HG2 PRO A 12 -19.125 0.916 1.078 1.00 2.17 H new ATOM 0 HG3 PRO A 12 -19.629 0.800 2.752 1.00 2.17 H new ATOM 0 HD2 PRO A 12 -16.997 1.209 2.106 1.00 1.84 H new ATOM 0 HD3 PRO A 12 -17.442 0.278 3.522 1.00 1.84 H new ATOM 186 N GLY A 13 -16.783 -1.500 -0.948 1.00 1.93 N ATOM 187 CA GLY A 13 -16.501 -1.277 -2.365 1.00 2.16 C ATOM 188 C GLY A 13 -15.802 -2.471 -3.031 1.00 1.72 C ATOM 189 O GLY A 13 -15.171 -3.270 -2.342 1.00 1.57 O ATOM 0 H GLY A 13 -15.942 -1.711 -0.412 1.00 1.93 H new ATOM 0 HA2 GLY A 13 -17.435 -1.071 -2.888 1.00 2.16 H new ATOM 0 HA3 GLY A 13 -15.875 -0.391 -2.470 1.00 2.16 H new ATOM 193 N PRO A 14 -15.839 -2.560 -4.378 1.00 1.69 N ATOM 194 CA PRO A 14 -15.076 -3.551 -5.148 1.00 1.58 C ATOM 195 C PRO A 14 -13.559 -3.341 -5.049 1.00 1.31 C ATOM 196 O PRO A 14 -12.788 -4.249 -5.365 1.00 1.26 O ATOM 197 CB PRO A 14 -15.549 -3.383 -6.592 1.00 1.84 C ATOM 198 CG PRO A 14 -16.001 -1.927 -6.672 1.00 2.02 C ATOM 199 CD PRO A 14 -16.558 -1.662 -5.274 1.00 2.00 C ATOM 0 HA PRO A 14 -15.250 -4.555 -4.760 1.00 1.58 H new ATOM 0 HB2 PRO A 14 -14.747 -3.590 -7.300 1.00 1.84 H new ATOM 0 HB3 PRO A 14 -16.365 -4.067 -6.826 1.00 1.84 H new ATOM 0 HG2 PRO A 14 -15.172 -1.260 -6.909 1.00 2.02 H new ATOM 0 HG3 PRO A 14 -16.758 -1.781 -7.442 1.00 2.02 H new ATOM 0 HD2 PRO A 14 -16.409 -0.621 -4.986 1.00 2.00 H new ATOM 0 HD3 PRO A 14 -17.631 -1.852 -5.239 1.00 2.00 H new ATOM 207 N ASN A 15 -13.142 -2.142 -4.618 1.00 1.25 N ATOM 208 CA ASN A 15 -11.816 -1.821 -4.151 1.00 0.96 C ATOM 209 C ASN A 15 -11.748 -1.535 -2.638 1.00 0.66 C ATOM 210 O ASN A 15 -12.633 -0.887 -2.075 1.00 0.96 O ATOM 211 CB ASN A 15 -11.307 -0.596 -4.916 1.00 1.46 C ATOM 212 CG ASN A 15 -12.183 0.650 -4.837 1.00 1.93 C ATOM 213 OD1 ASN A 15 -11.971 1.539 -4.026 1.00 3.30 O ATOM 214 ND2 ASN A 15 -13.175 0.758 -5.706 1.00 1.58 N ATOM 0 H ASN A 15 -13.767 -1.336 -4.591 1.00 1.25 H new ATOM 0 HA ASN A 15 -11.193 -2.697 -4.333 1.00 0.96 H new ATOM 0 HB2 ASN A 15 -10.315 -0.344 -4.541 1.00 1.46 H new ATOM 0 HB3 ASN A 15 -11.191 -0.869 -5.965 1.00 1.46 H new ATOM 0 HD21 ASN A 15 -13.769 1.587 -5.702 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -13.346 0.012 -6.380 1.00 1.58 H new ATOM 221 N ALA A 16 -10.621 -1.911 -2.033 1.00 0.60 N ATOM 222 CA ALA A 16 -10.156 -1.468 -0.708 1.00 0.54 C ATOM 223 C ALA A 16 -8.797 -0.738 -0.833 1.00 0.57 C ATOM 224 O ALA A 16 -8.296 -0.583 -1.945 1.00 0.63 O ATOM 225 CB ALA A 16 -10.107 -2.691 0.218 1.00 0.60 C ATOM 0 H ALA A 16 -9.972 -2.565 -2.471 1.00 0.60 H new ATOM 0 HA ALA A 16 -10.844 -0.744 -0.271 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -9.765 -2.385 1.207 1.00 0.60 H new ATOM 0 HB2 ALA A 16 -11.103 -3.127 0.298 1.00 0.60 H new ATOM 0 HB3 ALA A 16 -9.419 -3.430 -0.192 1.00 0.60 H new ATOM 231 N ALA A 17 -8.190 -0.276 0.270 1.00 0.60 N ATOM 232 CA ALA A 17 -6.873 0.395 0.267 1.00 0.62 C ATOM 233 C ALA A 17 -6.039 -0.012 1.498 1.00 0.75 C ATOM 234 O ALA A 17 -6.614 -0.190 2.573 1.00 0.94 O ATOM 235 CB ALA A 17 -7.091 1.915 0.272 1.00 0.60 C ATOM 0 H ALA A 17 -8.600 -0.356 1.200 1.00 0.60 H new ATOM 0 HA ALA A 17 -6.326 0.093 -0.626 1.00 0.62 H new ATOM 0 HB1 ALA A 17 -6.126 2.421 0.270 1.00 0.60 H new ATOM 0 HB2 ALA A 17 -7.655 2.205 -0.615 1.00 0.60 H new ATOM 0 HB3 ALA A 17 -7.648 2.200 1.165 1.00 0.60 H new ATOM 241 N ALA A 18 -4.711 -0.124 1.371 1.00 0.72 N ATOM 242 CA ALA A 18 -3.831 -0.594 2.451 1.00 0.81 C ATOM 243 C ALA A 18 -2.518 0.200 2.578 1.00 0.65 C ATOM 244 O ALA A 18 -1.965 0.683 1.586 1.00 0.56 O ATOM 245 CB ALA A 18 -3.558 -2.087 2.237 1.00 0.98 C ATOM 0 H ALA A 18 -4.213 0.110 0.512 1.00 0.72 H new ATOM 0 HA ALA A 18 -4.347 -0.428 3.397 1.00 0.81 H new ATOM 0 HB1 ALA A 18 -2.906 -2.455 3.029 1.00 0.98 H new ATOM 0 HB2 ALA A 18 -4.500 -2.636 2.258 1.00 0.98 H new ATOM 0 HB3 ALA A 18 -3.074 -2.234 1.271 1.00 0.98 H new ATOM 251 N TYR A 19 -2.025 0.288 3.819 1.00 0.71 N ATOM 252 CA TYR A 19 -0.875 1.076 4.274 1.00 0.69 C ATOM 253 C TYR A 19 0.114 0.183 5.060 1.00 0.76 C ATOM 254 O TYR A 19 0.119 0.149 6.292 1.00 1.47 O ATOM 255 CB TYR A 19 -1.383 2.246 5.147 1.00 0.86 C ATOM 256 CG TYR A 19 -2.597 2.987 4.620 1.00 0.89 C ATOM 257 CD1 TYR A 19 -2.503 3.761 3.451 1.00 1.98 C ATOM 258 CD2 TYR A 19 -3.821 2.921 5.315 1.00 2.10 C ATOM 259 CE1 TYR A 19 -3.624 4.473 2.977 1.00 2.05 C ATOM 260 CE2 TYR A 19 -4.939 3.644 4.863 1.00 2.39 C ATOM 261 CZ TYR A 19 -4.840 4.427 3.690 1.00 1.52 C ATOM 262 OH TYR A 19 -5.908 5.160 3.276 1.00 1.93 O ATOM 0 H TYR A 19 -2.452 -0.228 4.588 1.00 0.71 H new ATOM 0 HA TYR A 19 -0.341 1.479 3.414 1.00 0.69 H new ATOM 0 HB2 TYR A 19 -1.620 1.858 6.138 1.00 0.86 H new ATOM 0 HB3 TYR A 19 -0.570 2.961 5.271 1.00 0.86 H new ATOM 0 HD1 TYR A 19 -1.568 3.811 2.913 1.00 1.98 H new ATOM 0 HD2 TYR A 19 -3.901 2.310 6.202 1.00 2.10 H new ATOM 0 HE1 TYR A 19 -3.552 5.053 2.069 1.00 2.05 H new ATOM 0 HE2 TYR A 19 -5.869 3.601 5.410 1.00 2.39 H new ATOM 0 HH TYR A 19 -6.663 5.009 3.882 1.00 1.93 H new ATOM 272 N LEU A 20 0.909 -0.622 4.350 1.00 0.85 N ATOM 273 CA LEU A 20 1.904 -1.500 4.973 1.00 0.88 C ATOM 274 C LEU A 20 3.127 -0.717 5.485 1.00 0.87 C ATOM 275 O LEU A 20 3.444 0.349 4.959 1.00 0.86 O ATOM 276 CB LEU A 20 2.254 -2.645 4.000 1.00 1.00 C ATOM 277 CG LEU A 20 3.033 -2.228 2.732 1.00 1.10 C ATOM 278 CD1 LEU A 20 4.551 -2.239 2.951 1.00 1.99 C ATOM 279 CD2 LEU A 20 2.682 -3.168 1.570 1.00 1.46 C ATOM 0 H LEU A 20 0.882 -0.684 3.332 1.00 0.85 H new ATOM 0 HA LEU A 20 1.480 -1.953 5.869 1.00 0.88 H new ATOM 0 HB2 LEU A 20 2.842 -3.388 4.538 1.00 1.00 H new ATOM 0 HB3 LEU A 20 1.329 -3.132 3.693 1.00 1.00 H new ATOM 0 HG LEU A 20 2.738 -1.206 2.495 1.00 1.10 H new ATOM 0 HD11 LEU A 20 5.053 -1.939 2.031 1.00 1.99 H new ATOM 0 HD12 LEU A 20 4.809 -1.543 3.749 1.00 1.99 H new ATOM 0 HD13 LEU A 20 4.871 -3.243 3.228 1.00 1.99 H new ATOM 0 HD21 LEU A 20 3.235 -2.868 0.680 1.00 1.46 H new ATOM 0 HD22 LEU A 20 2.950 -4.191 1.836 1.00 1.46 H new ATOM 0 HD23 LEU A 20 1.612 -3.114 1.368 1.00 1.46 H new ATOM 291 N THR A 21 3.864 -1.308 6.429 1.00 1.04 N ATOM 292 CA THR A 21 5.274 -0.982 6.700 1.00 1.04 C ATOM 293 C THR A 21 6.108 -2.228 6.447 1.00 1.46 C ATOM 294 O THR A 21 5.657 -3.343 6.707 1.00 1.87 O ATOM 295 CB THR A 21 5.479 -0.456 8.120 1.00 1.34 C ATOM 296 OG1 THR A 21 4.753 0.743 8.218 1.00 2.01 O ATOM 297 CG2 THR A 21 6.937 -0.136 8.468 1.00 1.69 C ATOM 0 H THR A 21 3.496 -2.038 7.038 1.00 1.04 H new ATOM 0 HA THR A 21 5.591 -0.180 6.033 1.00 1.04 H new ATOM 0 HB THR A 21 5.152 -1.236 8.807 1.00 1.34 H new ATOM 0 HG1 THR A 21 4.010 0.625 8.846 1.00 2.01 H new ATOM 0 HG21 THR A 21 6.994 0.231 9.493 1.00 1.69 H new ATOM 0 HG22 THR A 21 7.541 -1.039 8.372 1.00 1.69 H new ATOM 0 HG23 THR A 21 7.314 0.627 7.787 1.00 1.69 H new ATOM 305 N LEU A 22 7.336 -2.014 5.976 1.00 1.68 N ATOM 306 CA LEU A 22 8.396 -3.024 5.816 1.00 2.30 C ATOM 307 C LEU A 22 9.758 -2.313 5.877 1.00 1.58 C ATOM 308 O LEU A 22 9.811 -1.120 6.172 1.00 1.53 O ATOM 309 CB LEU A 22 8.161 -3.880 4.540 1.00 3.37 C ATOM 310 CG LEU A 22 8.272 -5.417 4.700 1.00 4.72 C ATOM 311 CD1 LEU A 22 9.679 -5.890 5.088 1.00 4.66 C ATOM 312 CD2 LEU A 22 7.257 -5.980 5.705 1.00 5.83 C ATOM 0 H LEU A 22 7.640 -1.087 5.679 1.00 1.68 H new ATOM 0 HA LEU A 22 8.378 -3.748 6.631 1.00 2.30 H new ATOM 0 HB2 LEU A 22 7.168 -3.649 4.154 1.00 3.37 H new ATOM 0 HB3 LEU A 22 8.878 -3.565 3.782 1.00 3.37 H new ATOM 0 HG LEU A 22 8.045 -5.808 3.708 1.00 4.72 H new ATOM 0 HD11 LEU A 22 9.685 -6.976 5.183 1.00 4.66 H new ATOM 0 HD12 LEU A 22 10.389 -5.590 4.318 1.00 4.66 H new ATOM 0 HD13 LEU A 22 9.964 -5.441 6.039 1.00 4.66 H new ATOM 0 HD21 LEU A 22 7.379 -7.061 5.778 1.00 5.83 H new ATOM 0 HD22 LEU A 22 7.425 -5.529 6.683 1.00 5.83 H new ATOM 0 HD23 LEU A 22 6.246 -5.751 5.368 1.00 5.83 H new ATOM 324 N GLU A 23 10.871 -3.007 5.651 1.00 1.30 N ATOM 325 CA GLU A 23 12.222 -2.463 5.800 1.00 1.00 C ATOM 326 C GLU A 23 13.117 -2.937 4.655 1.00 0.95 C ATOM 327 O GLU A 23 13.008 -4.077 4.209 1.00 1.21 O ATOM 328 CB GLU A 23 12.832 -2.953 7.121 1.00 1.42 C ATOM 329 CG GLU A 23 12.119 -2.473 8.392 1.00 2.27 C ATOM 330 CD GLU A 23 12.696 -3.264 9.552 1.00 2.62 C ATOM 331 OE1 GLU A 23 13.862 -3.027 9.930 1.00 3.62 O ATOM 332 OE2 GLU A 23 12.101 -4.307 9.911 1.00 2.84 O ATOM 0 H GLU A 23 10.861 -3.983 5.353 1.00 1.30 H new ATOM 0 HA GLU A 23 12.157 -1.375 5.790 1.00 1.00 H new ATOM 0 HB2 GLU A 23 12.837 -4.043 7.117 1.00 1.42 H new ATOM 0 HB3 GLU A 23 13.872 -2.629 7.164 1.00 1.42 H new ATOM 0 HG2 GLU A 23 12.273 -1.404 8.540 1.00 2.27 H new ATOM 0 HG3 GLU A 23 11.044 -2.632 8.314 1.00 2.27 H new ATOM 339 N ASN A 24 14.057 -2.089 4.233 1.00 0.87 N ATOM 340 CA ASN A 24 15.264 -2.505 3.535 1.00 0.87 C ATOM 341 C ASN A 24 16.409 -2.652 4.554 1.00 1.07 C ATOM 342 O ASN A 24 16.964 -1.642 4.988 1.00 1.25 O ATOM 343 CB ASN A 24 15.613 -1.469 2.458 1.00 0.88 C ATOM 344 CG ASN A 24 16.825 -1.900 1.647 1.00 0.94 C ATOM 345 OD1 ASN A 24 17.357 -2.995 1.804 1.00 1.46 O ATOM 346 ND2 ASN A 24 17.283 -1.050 0.756 1.00 1.05 N ATOM 0 H ASN A 24 13.995 -1.080 4.371 1.00 0.87 H new ATOM 0 HA ASN A 24 15.107 -3.467 3.046 1.00 0.87 H new ATOM 0 HB2 ASN A 24 14.760 -1.330 1.794 1.00 0.88 H new ATOM 0 HB3 ASN A 24 15.811 -0.506 2.928 1.00 0.88 H new ATOM 0 HD21 ASN A 24 18.091 -1.297 0.184 1.00 1.05 H new ATOM 0 HD22 ASN A 24 16.831 -0.144 0.636 1.00 1.05 H new ATOM 353 N PRO A 25 16.768 -3.881 4.968 1.00 1.23 N ATOM 354 CA PRO A 25 17.885 -4.112 5.882 1.00 1.52 C ATOM 355 C PRO A 25 19.257 -4.052 5.194 1.00 1.70 C ATOM 356 O PRO A 25 20.274 -4.007 5.887 1.00 2.00 O ATOM 357 CB PRO A 25 17.625 -5.512 6.451 1.00 1.67 C ATOM 358 CG PRO A 25 16.933 -6.226 5.288 1.00 1.60 C ATOM 359 CD PRO A 25 16.063 -5.126 4.698 1.00 1.29 C ATOM 0 HA PRO A 25 17.929 -3.334 6.645 1.00 1.52 H new ATOM 0 HB2 PRO A 25 18.551 -6.010 6.739 1.00 1.67 H new ATOM 0 HB3 PRO A 25 16.993 -5.477 7.338 1.00 1.67 H new ATOM 0 HG2 PRO A 25 17.650 -6.609 4.562 1.00 1.60 H new ATOM 0 HG3 PRO A 25 16.339 -7.075 5.628 1.00 1.60 H new ATOM 0 HD2 PRO A 25 15.920 -5.271 3.627 1.00 1.29 H new ATOM 0 HD3 PRO A 25 15.073 -5.123 5.154 1.00 1.29 H new ATOM 367 N GLY A 26 19.310 -4.068 3.855 1.00 1.54 N ATOM 368 CA GLY A 26 20.543 -4.167 3.088 1.00 1.63 C ATOM 369 C GLY A 26 21.234 -2.826 2.881 1.00 1.72 C ATOM 370 O GLY A 26 20.838 -1.791 3.414 1.00 1.91 O ATOM 0 H GLY A 26 18.476 -4.011 3.270 1.00 1.54 H new ATOM 0 HA2 GLY A 26 21.227 -4.845 3.599 1.00 1.63 H new ATOM 0 HA3 GLY A 26 20.323 -4.608 2.116 1.00 1.63 H new ATOM 374 N ASP A 27 22.309 -2.890 2.109 1.00 1.80 N ATOM 375 CA ASP A 27 23.269 -1.825 1.846 1.00 2.12 C ATOM 376 C ASP A 27 23.190 -1.321 0.390 1.00 1.94 C ATOM 377 O ASP A 27 23.863 -0.373 -0.006 1.00 2.13 O ATOM 378 CB ASP A 27 24.625 -2.441 2.188 1.00 2.54 C ATOM 379 CG ASP A 27 24.706 -2.681 3.700 1.00 2.91 C ATOM 380 OD1 ASP A 27 25.020 -1.732 4.446 1.00 4.10 O ATOM 381 OD2 ASP A 27 24.260 -3.758 4.159 1.00 2.70 O ATOM 0 H ASP A 27 22.551 -3.748 1.614 1.00 1.80 H new ATOM 0 HA ASP A 27 23.073 -0.934 2.442 1.00 2.12 H new ATOM 0 HB2 ASP A 27 24.756 -3.381 1.652 1.00 2.54 H new ATOM 0 HB3 ASP A 27 25.429 -1.778 1.870 1.00 2.54 H new ATOM 386 N LEU A 28 22.294 -1.944 -0.381 1.00 1.60 N ATOM 387 CA LEU A 28 21.866 -1.579 -1.731 1.00 1.39 C ATOM 388 C LEU A 28 20.398 -1.102 -1.714 1.00 1.25 C ATOM 389 O LEU A 28 19.677 -1.420 -0.764 1.00 1.30 O ATOM 390 CB LEU A 28 22.151 -2.778 -2.657 1.00 1.38 C ATOM 391 CG LEU A 28 21.380 -4.087 -2.364 1.00 1.60 C ATOM 392 CD1 LEU A 28 19.974 -4.117 -2.989 1.00 2.06 C ATOM 393 CD2 LEU A 28 22.172 -5.281 -2.916 1.00 1.86 C ATOM 0 H LEU A 28 21.813 -2.781 -0.050 1.00 1.60 H new ATOM 0 HA LEU A 28 22.425 -0.730 -2.125 1.00 1.39 H new ATOM 0 HB2 LEU A 28 21.930 -2.476 -3.681 1.00 1.38 H new ATOM 0 HB3 LEU A 28 23.218 -2.995 -2.612 1.00 1.38 H new ATOM 0 HG LEU A 28 21.266 -4.142 -1.281 1.00 1.60 H new ATOM 0 HD11 LEU A 28 19.488 -5.062 -2.746 1.00 2.06 H new ATOM 0 HD12 LEU A 28 19.382 -3.292 -2.593 1.00 2.06 H new ATOM 0 HD13 LEU A 28 20.055 -4.019 -4.072 1.00 2.06 H new ATOM 0 HD21 LEU A 28 21.630 -6.204 -2.710 1.00 1.86 H new ATOM 0 HD22 LEU A 28 22.299 -5.167 -3.993 1.00 1.86 H new ATOM 0 HD23 LEU A 28 23.151 -5.321 -2.438 1.00 1.86 H new ATOM 405 N PRO A 29 19.934 -0.334 -2.719 1.00 1.14 N ATOM 406 CA PRO A 29 18.599 0.251 -2.706 1.00 1.07 C ATOM 407 C PRO A 29 17.531 -0.770 -3.123 1.00 0.93 C ATOM 408 O PRO A 29 17.766 -1.634 -3.972 1.00 0.92 O ATOM 409 CB PRO A 29 18.670 1.441 -3.664 1.00 1.08 C ATOM 410 CG PRO A 29 19.716 1.002 -4.689 1.00 1.08 C ATOM 411 CD PRO A 29 20.676 0.117 -3.886 1.00 1.16 C ATOM 0 HA PRO A 29 18.305 0.569 -1.706 1.00 1.07 H new ATOM 0 HB2 PRO A 29 17.706 1.639 -4.132 1.00 1.08 H new ATOM 0 HB3 PRO A 29 18.969 2.355 -3.150 1.00 1.08 H new ATOM 0 HG2 PRO A 29 19.261 0.452 -5.513 1.00 1.08 H new ATOM 0 HG3 PRO A 29 20.232 1.858 -5.124 1.00 1.08 H new ATOM 0 HD2 PRO A 29 21.015 -0.730 -4.482 1.00 1.16 H new ATOM 0 HD3 PRO A 29 21.564 0.675 -3.590 1.00 1.16 H new ATOM 419 N LEU A 30 16.340 -0.638 -2.530 1.00 0.89 N ATOM 420 CA LEU A 30 15.147 -1.431 -2.819 1.00 0.75 C ATOM 421 C LEU A 30 14.051 -0.563 -3.440 1.00 0.65 C ATOM 422 O LEU A 30 14.032 0.657 -3.319 1.00 0.68 O ATOM 423 CB LEU A 30 14.627 -2.102 -1.531 1.00 0.85 C ATOM 424 CG LEU A 30 15.086 -3.553 -1.296 1.00 0.79 C ATOM 425 CD1 LEU A 30 14.325 -4.542 -2.184 1.00 2.27 C ATOM 426 CD2 LEU A 30 16.585 -3.787 -1.501 1.00 2.44 C ATOM 0 H LEU A 30 16.177 0.058 -1.802 1.00 0.89 H new ATOM 0 HA LEU A 30 15.419 -2.205 -3.537 1.00 0.75 H new ATOM 0 HB2 LEU A 30 14.941 -1.500 -0.678 1.00 0.85 H new ATOM 0 HB3 LEU A 30 13.537 -2.085 -1.550 1.00 0.85 H new ATOM 0 HG LEU A 30 14.862 -3.728 -0.244 1.00 0.79 H new ATOM 0 HD11 LEU A 30 14.679 -5.554 -1.987 1.00 2.27 H new ATOM 0 HD12 LEU A 30 13.259 -4.481 -1.965 1.00 2.27 H new ATOM 0 HD13 LEU A 30 14.495 -4.295 -3.232 1.00 2.27 H new ATOM 0 HD21 LEU A 30 16.818 -4.835 -1.314 1.00 2.44 H new ATOM 0 HD22 LEU A 30 16.856 -3.531 -2.525 1.00 2.44 H new ATOM 0 HD23 LEU A 30 17.149 -3.161 -0.809 1.00 2.44 H new ATOM 438 N ARG A 31 13.099 -1.244 -4.071 1.00 0.76 N ATOM 439 CA ARG A 31 12.097 -0.628 -4.950 1.00 0.74 C ATOM 440 C ARG A 31 10.839 -1.477 -5.021 1.00 0.76 C ATOM 441 O ARG A 31 10.923 -2.623 -5.456 1.00 0.89 O ATOM 442 CB ARG A 31 12.706 -0.464 -6.350 1.00 0.72 C ATOM 443 CG ARG A 31 11.848 0.429 -7.265 1.00 0.74 C ATOM 444 CD ARG A 31 12.572 0.807 -8.561 1.00 0.71 C ATOM 445 NE ARG A 31 13.760 1.609 -8.247 1.00 1.11 N ATOM 446 CZ ARG A 31 14.855 1.826 -8.953 1.00 1.02 C ATOM 447 NH1 ARG A 31 14.976 1.416 -10.198 1.00 1.83 N ATOM 448 NH2 ARG A 31 15.855 2.463 -8.389 1.00 1.83 N ATOM 0 H ARG A 31 12.996 -2.255 -3.988 1.00 0.76 H new ATOM 0 HA ARG A 31 11.817 0.346 -4.548 1.00 0.74 H new ATOM 0 HB2 ARG A 31 13.704 -0.035 -6.261 1.00 0.72 H new ATOM 0 HB3 ARG A 31 12.821 -1.445 -6.810 1.00 0.72 H new ATOM 0 HG2 ARG A 31 10.921 -0.090 -7.508 1.00 0.74 H new ATOM 0 HG3 ARG A 31 11.573 1.337 -6.728 1.00 0.74 H new ATOM 0 HD2 ARG A 31 12.862 -0.093 -9.103 1.00 0.71 H new ATOM 0 HD3 ARG A 31 11.903 1.370 -9.212 1.00 0.71 H new ATOM 0 HE ARG A 31 13.736 2.073 -7.339 1.00 1.11 H new ATOM 0 HH11 ARG A 31 14.210 0.914 -10.646 1.00 1.83 H new ATOM 0 HH12 ARG A 31 15.836 1.601 -10.714 1.00 1.83 H new ATOM 0 HH21 ARG A 31 15.778 2.780 -7.423 1.00 1.83 H new ATOM 0 HH22 ARG A 31 16.709 2.641 -8.917 1.00 1.83 H new ATOM 462 N LEU A 32 9.696 -0.929 -4.612 1.00 0.69 N ATOM 463 CA LEU A 32 8.409 -1.613 -4.471 1.00 0.72 C ATOM 464 C LEU A 32 7.502 -1.297 -5.666 1.00 0.75 C ATOM 465 O LEU A 32 7.011 -0.178 -5.787 1.00 0.80 O ATOM 466 CB LEU A 32 7.808 -1.140 -3.137 1.00 0.74 C ATOM 467 CG LEU A 32 6.418 -1.699 -2.780 1.00 0.84 C ATOM 468 CD1 LEU A 32 6.352 -3.225 -2.909 1.00 1.39 C ATOM 469 CD2 LEU A 32 6.087 -1.293 -1.341 1.00 2.14 C ATOM 0 H LEU A 32 9.638 0.057 -4.356 1.00 0.69 H new ATOM 0 HA LEU A 32 8.523 -2.697 -4.462 1.00 0.72 H new ATOM 0 HB2 LEU A 32 8.499 -1.405 -2.337 1.00 0.74 H new ATOM 0 HB3 LEU A 32 7.745 -0.052 -3.157 1.00 0.74 H new ATOM 0 HG LEU A 32 5.694 -1.285 -3.482 1.00 0.84 H new ATOM 0 HD11 LEU A 32 5.352 -3.569 -2.646 1.00 1.39 H new ATOM 0 HD12 LEU A 32 6.577 -3.513 -3.936 1.00 1.39 H new ATOM 0 HD13 LEU A 32 7.080 -3.679 -2.237 1.00 1.39 H new ATOM 0 HD21 LEU A 32 5.105 -1.681 -1.070 1.00 2.14 H new ATOM 0 HD22 LEU A 32 6.838 -1.703 -0.665 1.00 2.14 H new ATOM 0 HD23 LEU A 32 6.082 -0.206 -1.262 1.00 2.14 H new ATOM 481 N VAL A 33 7.281 -2.284 -6.533 1.00 0.77 N ATOM 482 CA VAL A 33 6.655 -2.104 -7.860 1.00 0.73 C ATOM 483 C VAL A 33 5.236 -2.705 -7.919 1.00 0.72 C ATOM 484 O VAL A 33 4.459 -2.369 -8.808 1.00 0.73 O ATOM 485 CB VAL A 33 7.533 -2.713 -8.989 1.00 0.75 C ATOM 486 CG1 VAL A 33 8.986 -2.196 -8.948 1.00 0.82 C ATOM 487 CG2 VAL A 33 7.611 -4.254 -8.978 1.00 0.78 C ATOM 0 H VAL A 33 7.534 -3.253 -6.338 1.00 0.77 H new ATOM 0 HA VAL A 33 6.574 -1.029 -8.019 1.00 0.73 H new ATOM 0 HB VAL A 33 7.023 -2.389 -9.896 1.00 0.75 H new ATOM 0 HG11 VAL A 33 9.557 -2.652 -9.757 1.00 0.82 H new ATOM 0 HG12 VAL A 33 8.990 -1.112 -9.066 1.00 0.82 H new ATOM 0 HG13 VAL A 33 9.439 -2.458 -7.992 1.00 0.82 H new ATOM 0 HG21 VAL A 33 8.243 -4.592 -9.799 1.00 0.78 H new ATOM 0 HG22 VAL A 33 8.034 -4.590 -8.031 1.00 0.78 H new ATOM 0 HG23 VAL A 33 6.610 -4.670 -9.096 1.00 0.78 H new ATOM 497 N GLY A 34 4.916 -3.636 -7.005 1.00 0.72 N ATOM 498 CA GLY A 34 3.657 -4.389 -6.974 1.00 0.71 C ATOM 499 C GLY A 34 3.353 -5.002 -5.613 1.00 0.71 C ATOM 500 O GLY A 34 4.099 -4.836 -4.647 1.00 0.73 O ATOM 0 H GLY A 34 5.547 -3.891 -6.246 1.00 0.72 H new ATOM 0 HA2 GLY A 34 2.839 -3.727 -7.257 1.00 0.71 H new ATOM 0 HA3 GLY A 34 3.698 -5.182 -7.721 1.00 0.71 H new ATOM 504 N ALA A 35 2.283 -5.790 -5.568 1.00 0.73 N ATOM 505 CA ALA A 35 1.948 -6.649 -4.438 1.00 0.72 C ATOM 506 C ALA A 35 1.204 -7.928 -4.883 1.00 0.79 C ATOM 507 O ALA A 35 0.961 -8.128 -6.078 1.00 0.83 O ATOM 508 CB ALA A 35 1.172 -5.807 -3.418 1.00 0.74 C ATOM 0 H ALA A 35 1.611 -5.850 -6.333 1.00 0.73 H new ATOM 0 HA ALA A 35 2.855 -7.021 -3.962 1.00 0.72 H new ATOM 0 HB1 ALA A 35 0.908 -6.426 -2.561 1.00 0.74 H new ATOM 0 HB2 ALA A 35 1.792 -4.974 -3.087 1.00 0.74 H new ATOM 0 HB3 ALA A 35 0.263 -5.422 -3.880 1.00 0.74 H new ATOM 514 N ARG A 36 0.837 -8.794 -3.931 1.00 0.82 N ATOM 515 CA ARG A 36 0.095 -10.053 -4.137 1.00 1.01 C ATOM 516 C ARG A 36 -0.668 -10.355 -2.852 1.00 1.01 C ATOM 517 O ARG A 36 -0.159 -10.050 -1.781 1.00 1.21 O ATOM 518 CB ARG A 36 1.053 -11.231 -4.431 1.00 1.26 C ATOM 519 CG ARG A 36 1.837 -11.205 -5.757 1.00 1.91 C ATOM 520 CD ARG A 36 1.039 -11.635 -6.998 1.00 1.77 C ATOM 521 NE ARG A 36 -0.141 -10.794 -7.261 1.00 2.82 N ATOM 522 CZ ARG A 36 -1.309 -11.222 -7.739 1.00 3.83 C ATOM 523 NH1 ARG A 36 -1.553 -12.465 -8.089 1.00 4.05 N ATOM 524 NH2 ARG A 36 -2.319 -10.413 -7.896 1.00 5.40 N ATOM 0 H ARG A 36 1.058 -8.633 -2.948 1.00 0.82 H new ATOM 0 HA ARG A 36 -0.574 -9.938 -4.990 1.00 1.01 H new ATOM 0 HB2 ARG A 36 1.775 -11.287 -3.616 1.00 1.26 H new ATOM 0 HB3 ARG A 36 0.470 -12.152 -4.405 1.00 1.26 H new ATOM 0 HG2 ARG A 36 2.213 -10.195 -5.919 1.00 1.91 H new ATOM 0 HG3 ARG A 36 2.706 -11.856 -5.660 1.00 1.91 H new ATOM 0 HD2 ARG A 36 1.695 -11.609 -7.868 1.00 1.77 H new ATOM 0 HD3 ARG A 36 0.717 -12.669 -6.872 1.00 1.77 H new ATOM 0 HE ARG A 36 -0.057 -9.798 -7.060 1.00 2.82 H new ATOM 0 HH11 ARG A 36 -0.823 -13.172 -8.002 1.00 4.05 H new ATOM 0 HH12 ARG A 36 -2.472 -12.723 -8.448 1.00 4.05 H new ATOM 0 HH21 ARG A 36 -2.226 -9.427 -7.651 1.00 5.40 H new ATOM 0 HH22 ARG A 36 -3.203 -10.766 -8.264 1.00 5.40 H new ATOM 538 N THR A 37 -1.868 -10.937 -2.923 1.00 0.81 N ATOM 539 CA THR A 37 -2.751 -11.137 -1.761 1.00 0.69 C ATOM 540 C THR A 37 -3.834 -12.160 -2.113 1.00 0.69 C ATOM 541 O THR A 37 -4.209 -12.248 -3.287 1.00 0.75 O ATOM 542 CB THR A 37 -3.336 -9.794 -1.285 1.00 0.61 C ATOM 543 OG1 THR A 37 -4.339 -10.007 -0.327 1.00 0.58 O ATOM 544 CG2 THR A 37 -3.960 -8.948 -2.398 1.00 0.69 C ATOM 0 H THR A 37 -2.262 -11.288 -3.796 1.00 0.81 H new ATOM 0 HA THR A 37 -2.177 -11.537 -0.925 1.00 0.69 H new ATOM 0 HB THR A 37 -2.482 -9.252 -0.879 1.00 0.61 H new ATOM 0 HG1 THR A 37 -3.941 -10.006 0.569 1.00 0.58 H new ATOM 0 HG21 THR A 37 -4.347 -8.020 -1.976 1.00 0.69 H new ATOM 0 HG22 THR A 37 -3.203 -8.718 -3.148 1.00 0.69 H new ATOM 0 HG23 THR A 37 -4.775 -9.503 -2.863 1.00 0.69 H new ATOM 552 N PRO A 38 -4.364 -12.925 -1.139 1.00 0.69 N ATOM 553 CA PRO A 38 -5.459 -13.860 -1.367 1.00 0.72 C ATOM 554 C PRO A 38 -6.841 -13.210 -1.438 1.00 0.71 C ATOM 555 O PRO A 38 -7.811 -13.918 -1.688 1.00 0.88 O ATOM 556 CB PRO A 38 -5.370 -14.839 -0.203 1.00 0.77 C ATOM 557 CG PRO A 38 -4.786 -14.022 0.944 1.00 0.77 C ATOM 558 CD PRO A 38 -3.856 -13.055 0.221 1.00 0.74 C ATOM 0 HA PRO A 38 -5.354 -14.333 -2.343 1.00 0.72 H new ATOM 0 HB2 PRO A 38 -6.351 -15.239 0.054 1.00 0.77 H new ATOM 0 HB3 PRO A 38 -4.734 -15.689 -0.448 1.00 0.77 H new ATOM 0 HG2 PRO A 38 -5.560 -13.498 1.504 1.00 0.77 H new ATOM 0 HG3 PRO A 38 -4.247 -14.648 1.655 1.00 0.77 H new ATOM 0 HD2 PRO A 38 -3.838 -12.087 0.722 1.00 0.74 H new ATOM 0 HD3 PRO A 38 -2.833 -13.431 0.218 1.00 0.74 H new ATOM 566 N VAL A 39 -6.940 -11.897 -1.206 1.00 0.60 N ATOM 567 CA VAL A 39 -8.223 -11.153 -1.140 1.00 0.65 C ATOM 568 C VAL A 39 -8.376 -10.015 -2.169 1.00 0.68 C ATOM 569 O VAL A 39 -9.098 -9.059 -1.923 1.00 0.87 O ATOM 570 CB VAL A 39 -8.561 -10.684 0.297 1.00 0.66 C ATOM 571 CG1 VAL A 39 -8.651 -11.890 1.247 1.00 0.81 C ATOM 572 CG2 VAL A 39 -7.548 -9.677 0.847 1.00 0.59 C ATOM 0 H VAL A 39 -6.124 -11.303 -1.055 1.00 0.60 H new ATOM 0 HA VAL A 39 -8.970 -11.890 -1.435 1.00 0.65 H new ATOM 0 HB VAL A 39 -9.526 -10.180 0.239 1.00 0.66 H new ATOM 0 HG11 VAL A 39 -8.889 -11.544 2.253 1.00 0.81 H new ATOM 0 HG12 VAL A 39 -9.432 -12.567 0.902 1.00 0.81 H new ATOM 0 HG13 VAL A 39 -7.696 -12.415 1.261 1.00 0.81 H new ATOM 0 HG21 VAL A 39 -7.837 -9.385 1.857 1.00 0.59 H new ATOM 0 HG22 VAL A 39 -6.558 -10.133 0.870 1.00 0.59 H new ATOM 0 HG23 VAL A 39 -7.527 -8.795 0.206 1.00 0.59 H new ATOM 582 N ALA A 40 -7.757 -10.140 -3.345 1.00 0.61 N ATOM 583 CA ALA A 40 -7.842 -9.254 -4.525 1.00 0.59 C ATOM 584 C ALA A 40 -7.046 -9.896 -5.668 1.00 0.83 C ATOM 585 O ALA A 40 -6.307 -10.852 -5.418 1.00 1.19 O ATOM 586 CB ALA A 40 -7.322 -7.851 -4.183 1.00 0.79 C ATOM 0 H ALA A 40 -7.130 -10.926 -3.518 1.00 0.61 H new ATOM 0 HA ALA A 40 -8.880 -9.136 -4.838 1.00 0.59 H new ATOM 0 HB1 ALA A 40 -7.392 -7.212 -5.064 1.00 0.79 H new ATOM 0 HB2 ALA A 40 -7.922 -7.427 -3.378 1.00 0.79 H new ATOM 0 HB3 ALA A 40 -6.282 -7.916 -3.864 1.00 0.79 H new ATOM 592 N GLU A 41 -7.173 -9.408 -6.905 1.00 1.04 N ATOM 593 CA GLU A 41 -6.279 -9.823 -8.001 1.00 1.67 C ATOM 594 C GLU A 41 -5.516 -8.628 -8.577 1.00 1.48 C ATOM 595 O GLU A 41 -4.295 -8.675 -8.718 1.00 2.10 O ATOM 596 CB GLU A 41 -7.044 -10.563 -9.113 1.00 2.32 C ATOM 597 CG GLU A 41 -6.087 -11.338 -10.040 1.00 3.20 C ATOM 598 CD GLU A 41 -5.382 -12.466 -9.284 1.00 4.76 C ATOM 599 OE1 GLU A 41 -6.009 -13.524 -9.093 1.00 5.05 O ATOM 600 OE2 GLU A 41 -4.276 -12.244 -8.738 1.00 6.17 O ATOM 0 H GLU A 41 -7.882 -8.727 -7.177 1.00 1.04 H new ATOM 0 HA GLU A 41 -5.555 -10.519 -7.576 1.00 1.67 H new ATOM 0 HB2 GLU A 41 -7.758 -11.255 -8.666 1.00 2.32 H new ATOM 0 HB3 GLU A 41 -7.619 -9.846 -9.699 1.00 2.32 H new ATOM 0 HG2 GLU A 41 -6.645 -11.752 -10.880 1.00 3.20 H new ATOM 0 HG3 GLU A 41 -5.346 -10.655 -10.455 1.00 3.20 H new ATOM 607 N ARG A 42 -6.216 -7.522 -8.830 1.00 0.86 N ATOM 608 CA ARG A 42 -5.605 -6.233 -9.058 1.00 0.74 C ATOM 609 C ARG A 42 -5.215 -5.660 -7.697 1.00 0.72 C ATOM 610 O ARG A 42 -5.906 -5.824 -6.692 1.00 1.03 O ATOM 611 CB ARG A 42 -6.578 -5.337 -9.828 1.00 0.88 C ATOM 612 CG ARG A 42 -6.424 -5.544 -11.340 1.00 1.32 C ATOM 613 CD ARG A 42 -7.364 -4.617 -12.113 1.00 1.67 C ATOM 614 NE ARG A 42 -7.044 -4.613 -13.555 1.00 2.55 N ATOM 615 CZ ARG A 42 -6.211 -3.773 -14.165 1.00 3.62 C ATOM 616 NH1 ARG A 42 -5.568 -2.825 -13.521 1.00 4.19 N ATOM 617 NH2 ARG A 42 -6.006 -3.875 -15.460 1.00 4.69 N ATOM 0 H ARG A 42 -7.235 -7.507 -8.881 1.00 0.86 H new ATOM 0 HA ARG A 42 -4.706 -6.309 -9.669 1.00 0.74 H new ATOM 0 HB2 ARG A 42 -7.602 -5.561 -9.528 1.00 0.88 H new ATOM 0 HB3 ARG A 42 -6.394 -4.292 -9.578 1.00 0.88 H new ATOM 0 HG2 ARG A 42 -5.392 -5.352 -11.635 1.00 1.32 H new ATOM 0 HG3 ARG A 42 -6.640 -6.582 -11.593 1.00 1.32 H new ATOM 0 HD2 ARG A 42 -8.396 -4.938 -11.968 1.00 1.67 H new ATOM 0 HD3 ARG A 42 -7.286 -3.604 -11.718 1.00 1.67 H new ATOM 0 HE ARG A 42 -7.502 -5.316 -14.135 1.00 2.55 H new ATOM 0 HH11 ARG A 42 -5.699 -2.712 -12.516 1.00 4.19 H new ATOM 0 HH12 ARG A 42 -4.938 -2.202 -14.026 1.00 4.19 H new ATOM 0 HH21 ARG A 42 -6.485 -4.598 -15.997 1.00 4.69 H new ATOM 0 HH22 ARG A 42 -5.368 -3.231 -15.928 1.00 4.69 H new ATOM 631 N VAL A 43 -4.071 -5.016 -7.675 1.00 0.76 N ATOM 632 CA VAL A 43 -3.377 -4.456 -6.511 1.00 0.87 C ATOM 633 C VAL A 43 -2.408 -3.375 -6.954 1.00 1.30 C ATOM 634 O VAL A 43 -1.192 -3.539 -7.050 1.00 2.47 O ATOM 635 CB VAL A 43 -2.785 -5.555 -5.635 1.00 0.92 C ATOM 636 CG1 VAL A 43 -1.653 -6.401 -6.246 1.00 1.30 C ATOM 637 CG2 VAL A 43 -2.425 -5.030 -4.240 1.00 1.21 C ATOM 0 H VAL A 43 -3.549 -4.850 -8.536 1.00 0.76 H new ATOM 0 HA VAL A 43 -4.088 -3.955 -5.854 1.00 0.87 H new ATOM 0 HB VAL A 43 -3.600 -6.274 -5.549 1.00 0.92 H new ATOM 0 HG11 VAL A 43 -1.322 -7.144 -5.521 1.00 1.30 H new ATOM 0 HG12 VAL A 43 -2.018 -6.905 -7.141 1.00 1.30 H new ATOM 0 HG13 VAL A 43 -0.816 -5.754 -6.509 1.00 1.30 H new ATOM 0 HG21 VAL A 43 -2.006 -5.840 -3.643 1.00 1.21 H new ATOM 0 HG22 VAL A 43 -1.691 -4.229 -4.331 1.00 1.21 H new ATOM 0 HG23 VAL A 43 -3.322 -4.647 -3.753 1.00 1.21 H new ATOM 647 N GLU A 44 -3.036 -2.267 -7.301 1.00 0.53 N ATOM 648 CA GLU A 44 -2.392 -1.133 -7.965 1.00 0.53 C ATOM 649 C GLU A 44 -2.069 -0.030 -6.959 1.00 0.57 C ATOM 650 O GLU A 44 -2.925 0.354 -6.157 1.00 1.06 O ATOM 651 CB GLU A 44 -3.256 -0.592 -9.112 1.00 0.89 C ATOM 652 CG GLU A 44 -3.179 -1.459 -10.375 1.00 1.75 C ATOM 653 CD GLU A 44 -4.179 -2.613 -10.390 1.00 3.27 C ATOM 654 OE1 GLU A 44 -5.316 -2.392 -10.866 1.00 3.54 O ATOM 655 OE2 GLU A 44 -3.815 -3.751 -10.018 1.00 4.92 O ATOM 0 H GLU A 44 -4.030 -2.120 -7.128 1.00 0.53 H new ATOM 0 HA GLU A 44 -1.456 -1.487 -8.396 1.00 0.53 H new ATOM 0 HB2 GLU A 44 -4.293 -0.531 -8.782 1.00 0.89 H new ATOM 0 HB3 GLU A 44 -2.938 0.422 -9.353 1.00 0.89 H new ATOM 0 HG2 GLU A 44 -3.351 -0.829 -11.248 1.00 1.75 H new ATOM 0 HG3 GLU A 44 -2.171 -1.863 -10.467 1.00 1.75 H new ATOM 662 N LEU A 45 -0.831 0.479 -6.997 1.00 0.67 N ATOM 663 CA LEU A 45 -0.379 1.489 -6.043 1.00 0.85 C ATOM 664 C LEU A 45 -0.624 2.920 -6.494 1.00 0.68 C ATOM 665 O LEU A 45 -0.357 3.338 -7.624 1.00 0.64 O ATOM 666 CB LEU A 45 1.063 1.300 -5.561 1.00 1.42 C ATOM 667 CG LEU A 45 2.195 1.681 -6.522 1.00 0.76 C ATOM 668 CD1 LEU A 45 3.517 1.617 -5.751 1.00 1.42 C ATOM 669 CD2 LEU A 45 2.279 0.744 -7.737 1.00 2.12 C ATOM 0 H LEU A 45 -0.126 0.204 -7.681 1.00 0.67 H new ATOM 0 HA LEU A 45 -1.020 1.317 -5.178 1.00 0.85 H new ATOM 0 HB2 LEU A 45 1.189 1.881 -4.648 1.00 1.42 H new ATOM 0 HB3 LEU A 45 1.191 0.252 -5.292 1.00 1.42 H new ATOM 0 HG LEU A 45 1.995 2.684 -6.900 1.00 0.76 H new ATOM 0 HD11 LEU A 45 4.339 1.885 -6.415 1.00 1.42 H new ATOM 0 HD12 LEU A 45 3.484 2.315 -4.914 1.00 1.42 H new ATOM 0 HD13 LEU A 45 3.670 0.606 -5.374 1.00 1.42 H new ATOM 0 HD21 LEU A 45 3.097 1.060 -8.384 1.00 2.12 H new ATOM 0 HD22 LEU A 45 2.457 -0.276 -7.398 1.00 2.12 H new ATOM 0 HD23 LEU A 45 1.342 0.783 -8.292 1.00 2.12 H new ATOM 681 N HIS A 46 -1.095 3.684 -5.528 1.00 0.68 N ATOM 682 CA HIS A 46 -1.340 5.106 -5.582 1.00 0.55 C ATOM 683 C HIS A 46 -0.421 5.853 -4.618 1.00 0.45 C ATOM 684 O HIS A 46 0.113 5.305 -3.654 1.00 0.47 O ATOM 685 CB HIS A 46 -2.813 5.356 -5.216 1.00 0.59 C ATOM 686 CG HIS A 46 -3.846 4.632 -6.036 1.00 0.58 C ATOM 687 ND1 HIS A 46 -5.154 4.428 -5.635 1.00 0.61 N ATOM 688 CD2 HIS A 46 -3.668 3.961 -7.213 1.00 0.63 C ATOM 689 CE1 HIS A 46 -5.706 3.573 -6.496 1.00 0.80 C ATOM 690 NE2 HIS A 46 -4.839 3.286 -7.481 1.00 0.78 N ATOM 0 H HIS A 46 -1.334 3.293 -4.616 1.00 0.68 H new ATOM 0 HA HIS A 46 -1.134 5.475 -6.587 1.00 0.55 H new ATOM 0 HB2 HIS A 46 -2.955 5.082 -4.171 1.00 0.59 H new ATOM 0 HB3 HIS A 46 -3.006 6.426 -5.294 1.00 0.59 H new ATOM 0 HD2 HIS A 46 -2.775 3.960 -7.821 1.00 0.63 H new ATOM 0 HE1 HIS A 46 -6.705 3.170 -6.414 1.00 0.80 H new ATOM 0 HE2 HIS A 46 -5.015 2.679 -8.282 1.00 0.78 H new ATOM 698 N GLU A 47 -0.306 7.136 -4.898 1.00 0.40 N ATOM 699 CA GLU A 47 0.075 8.179 -3.955 1.00 0.41 C ATOM 700 C GLU A 47 -1.168 8.864 -3.348 1.00 0.49 C ATOM 701 O GLU A 47 -2.306 8.446 -3.602 1.00 0.84 O ATOM 702 CB GLU A 47 1.082 9.098 -4.658 1.00 0.49 C ATOM 703 CG GLU A 47 0.614 9.903 -5.870 1.00 0.66 C ATOM 704 CD GLU A 47 -0.325 11.007 -5.445 1.00 1.88 C ATOM 705 OE1 GLU A 47 0.188 12.004 -4.911 1.00 2.55 O ATOM 706 OE2 GLU A 47 -1.549 10.814 -5.625 1.00 3.39 O ATOM 0 H GLU A 47 -0.483 7.501 -5.834 1.00 0.40 H new ATOM 0 HA GLU A 47 0.580 7.776 -3.077 1.00 0.41 H new ATOM 0 HB2 GLU A 47 1.460 9.803 -3.918 1.00 0.49 H new ATOM 0 HB3 GLU A 47 1.926 8.485 -4.974 1.00 0.49 H new ATOM 0 HG2 GLU A 47 1.475 10.329 -6.385 1.00 0.66 H new ATOM 0 HG3 GLU A 47 0.112 9.244 -6.579 1.00 0.66 H new ATOM 713 N THR A 48 -0.968 9.876 -2.494 1.00 0.47 N ATOM 714 CA THR A 48 -2.021 10.774 -1.977 1.00 0.44 C ATOM 715 C THR A 48 -1.369 12.110 -1.635 1.00 0.49 C ATOM 716 O THR A 48 -0.258 12.121 -1.106 1.00 0.55 O ATOM 717 CB THR A 48 -2.703 10.152 -0.755 1.00 0.49 C ATOM 718 OG1 THR A 48 -3.444 9.067 -1.242 1.00 0.61 O ATOM 719 CG2 THR A 48 -3.688 11.071 -0.034 1.00 0.59 C ATOM 0 H THR A 48 -0.043 10.103 -2.130 1.00 0.47 H new ATOM 0 HA THR A 48 -2.797 10.928 -2.727 1.00 0.44 H new ATOM 0 HB THR A 48 -1.924 9.902 -0.034 1.00 0.49 H new ATOM 0 HG1 THR A 48 -3.273 8.958 -2.201 1.00 0.61 H new ATOM 0 HG21 THR A 48 -4.121 10.545 0.817 1.00 0.59 H new ATOM 0 HG22 THR A 48 -3.165 11.961 0.317 1.00 0.59 H new ATOM 0 HG23 THR A 48 -4.482 11.364 -0.721 1.00 0.59 H new ATOM 727 N PHE A 49 -2.055 13.226 -1.913 1.00 0.58 N ATOM 728 CA PHE A 49 -1.467 14.571 -1.865 1.00 0.66 C ATOM 729 C PHE A 49 -2.453 15.696 -1.525 1.00 0.64 C ATOM 730 O PHE A 49 -3.676 15.533 -1.519 1.00 0.59 O ATOM 731 CB PHE A 49 -0.751 14.880 -3.195 1.00 0.73 C ATOM 732 CG PHE A 49 -1.632 15.017 -4.433 1.00 0.71 C ATOM 733 CD1 PHE A 49 -2.219 13.880 -5.017 1.00 1.73 C ATOM 734 CD2 PHE A 49 -1.797 16.266 -5.065 1.00 2.15 C ATOM 735 CE1 PHE A 49 -2.937 13.975 -6.213 1.00 1.70 C ATOM 736 CE2 PHE A 49 -2.532 16.365 -6.263 1.00 2.24 C ATOM 737 CZ PHE A 49 -3.102 15.215 -6.840 1.00 0.87 C ATOM 0 H PHE A 49 -3.040 13.221 -2.179 1.00 0.58 H new ATOM 0 HA PHE A 49 -0.757 14.549 -1.038 1.00 0.66 H new ATOM 0 HB2 PHE A 49 -0.191 15.807 -3.072 1.00 0.73 H new ATOM 0 HB3 PHE A 49 -0.023 14.090 -3.381 1.00 0.73 H new ATOM 0 HD1 PHE A 49 -2.114 12.920 -4.535 1.00 1.73 H new ATOM 0 HD2 PHE A 49 -1.358 17.151 -4.629 1.00 2.15 H new ATOM 0 HE1 PHE A 49 -3.366 13.088 -6.655 1.00 1.70 H new ATOM 0 HE2 PHE A 49 -2.658 17.326 -6.740 1.00 2.24 H new ATOM 0 HZ PHE A 49 -3.663 15.289 -7.760 1.00 0.87 H new ATOM 747 N MET A 50 -1.892 16.887 -1.283 1.00 0.74 N ATOM 748 CA MET A 50 -2.589 18.159 -1.150 1.00 0.74 C ATOM 749 C MET A 50 -2.277 19.044 -2.367 1.00 0.75 C ATOM 750 O MET A 50 -1.159 19.056 -2.873 1.00 0.89 O ATOM 751 CB MET A 50 -2.182 18.819 0.177 1.00 0.97 C ATOM 752 CG MET A 50 -2.845 20.188 0.326 1.00 2.01 C ATOM 753 SD MET A 50 -2.877 20.856 2.009 1.00 2.50 S ATOM 754 CE MET A 50 -1.408 21.909 1.936 1.00 3.30 C ATOM 0 H MET A 50 -0.883 16.988 -1.170 1.00 0.74 H new ATOM 0 HA MET A 50 -3.668 18.008 -1.127 1.00 0.74 H new ATOM 0 HB2 MET A 50 -2.469 18.178 1.011 1.00 0.97 H new ATOM 0 HB3 MET A 50 -1.098 18.928 0.217 1.00 0.97 H new ATOM 0 HG2 MET A 50 -2.325 20.897 -0.318 1.00 2.01 H new ATOM 0 HG3 MET A 50 -3.870 20.118 -0.039 1.00 2.01 H new ATOM 0 HE1 MET A 50 -1.269 22.406 2.896 1.00 3.30 H new ATOM 0 HE2 MET A 50 -0.533 21.298 1.713 1.00 3.30 H new ATOM 0 HE3 MET A 50 -1.536 22.658 1.155 1.00 3.30 H new ATOM 764 N ARG A 51 -3.285 19.787 -2.821 1.00 0.72 N ATOM 765 CA ARG A 51 -3.276 20.643 -4.015 1.00 0.75 C ATOM 766 C ARG A 51 -4.253 21.815 -3.870 1.00 0.74 C ATOM 767 O ARG A 51 -5.223 21.725 -3.115 1.00 0.79 O ATOM 768 CB ARG A 51 -3.643 19.808 -5.260 1.00 0.90 C ATOM 769 CG ARG A 51 -4.915 18.958 -5.061 1.00 2.20 C ATOM 770 CD ARG A 51 -5.593 18.541 -6.366 1.00 2.73 C ATOM 771 NE ARG A 51 -6.861 17.851 -6.063 1.00 5.02 N ATOM 772 CZ ARG A 51 -8.025 17.957 -6.689 1.00 6.33 C ATOM 773 NH1 ARG A 51 -8.173 18.624 -7.814 1.00 5.85 N ATOM 774 NH2 ARG A 51 -9.074 17.376 -6.148 1.00 8.46 N ATOM 0 H ARG A 51 -4.184 19.812 -2.340 1.00 0.72 H new ATOM 0 HA ARG A 51 -2.272 21.052 -4.130 1.00 0.75 H new ATOM 0 HB2 ARG A 51 -3.788 20.476 -6.109 1.00 0.90 H new ATOM 0 HB3 ARG A 51 -2.809 19.152 -5.509 1.00 0.90 H new ATOM 0 HG2 ARG A 51 -4.657 18.063 -4.495 1.00 2.20 H new ATOM 0 HG3 ARG A 51 -5.626 19.522 -4.458 1.00 2.20 H new ATOM 0 HD2 ARG A 51 -5.783 19.417 -6.986 1.00 2.73 H new ATOM 0 HD3 ARG A 51 -4.936 17.884 -6.936 1.00 2.73 H new ATOM 0 HE ARG A 51 -6.840 17.210 -5.270 1.00 5.02 H new ATOM 0 HH11 ARG A 51 -7.371 19.088 -8.241 1.00 5.85 H new ATOM 0 HH12 ARG A 51 -9.089 18.677 -8.259 1.00 5.85 H new ATOM 0 HH21 ARG A 51 -8.977 16.863 -5.272 1.00 8.46 H new ATOM 0 HH22 ARG A 51 -9.984 17.439 -6.605 1.00 8.46 H new ATOM 788 N GLU A 52 -4.058 22.873 -4.644 1.00 0.80 N ATOM 789 CA GLU A 52 -4.981 23.979 -4.794 1.00 0.87 C ATOM 790 C GLU A 52 -5.959 23.755 -5.956 1.00 0.88 C ATOM 791 O GLU A 52 -5.590 23.151 -6.962 1.00 1.05 O ATOM 792 CB GLU A 52 -4.109 25.226 -5.021 1.00 1.11 C ATOM 793 CG GLU A 52 -4.634 26.427 -4.255 1.00 1.24 C ATOM 794 CD GLU A 52 -4.699 26.216 -2.738 1.00 1.36 C ATOM 795 OE1 GLU A 52 -4.117 25.226 -2.243 1.00 2.50 O ATOM 796 OE2 GLU A 52 -5.451 26.976 -2.096 1.00 1.75 O ATOM 0 H GLU A 52 -3.215 22.985 -5.207 1.00 0.80 H new ATOM 0 HA GLU A 52 -5.608 24.088 -3.909 1.00 0.87 H new ATOM 0 HB2 GLU A 52 -3.086 25.016 -4.710 1.00 1.11 H new ATOM 0 HB3 GLU A 52 -4.078 25.459 -6.085 1.00 1.11 H new ATOM 0 HG2 GLU A 52 -3.997 27.286 -4.465 1.00 1.24 H new ATOM 0 HG3 GLU A 52 -5.631 26.672 -4.621 1.00 1.24 H new ATOM 803 N VAL A 53 -7.188 24.262 -5.827 1.00 0.91 N ATOM 804 CA VAL A 53 -8.174 24.397 -6.914 1.00 1.05 C ATOM 805 C VAL A 53 -8.898 25.737 -6.732 1.00 1.16 C ATOM 806 O VAL A 53 -9.468 25.981 -5.673 1.00 1.43 O ATOM 807 CB VAL A 53 -9.186 23.224 -6.929 1.00 1.24 C ATOM 808 CG1 VAL A 53 -10.251 23.405 -8.021 1.00 1.85 C ATOM 809 CG2 VAL A 53 -8.508 21.863 -7.180 1.00 1.89 C ATOM 0 H VAL A 53 -7.541 24.603 -4.933 1.00 0.91 H new ATOM 0 HA VAL A 53 -7.657 24.369 -7.873 1.00 1.05 H new ATOM 0 HB VAL A 53 -9.644 23.233 -5.940 1.00 1.24 H new ATOM 0 HG11 VAL A 53 -10.942 22.562 -7.999 1.00 1.85 H new ATOM 0 HG12 VAL A 53 -10.801 24.329 -7.843 1.00 1.85 H new ATOM 0 HG13 VAL A 53 -9.767 23.452 -8.997 1.00 1.85 H new ATOM 0 HG21 VAL A 53 -9.262 21.076 -7.181 1.00 1.89 H new ATOM 0 HG22 VAL A 53 -8.002 21.881 -8.145 1.00 1.89 H new ATOM 0 HG23 VAL A 53 -7.780 21.668 -6.392 1.00 1.89 H new ATOM 819 N GLU A 54 -8.806 26.619 -7.739 1.00 1.42 N ATOM 820 CA GLU A 54 -9.376 27.989 -7.792 1.00 1.69 C ATOM 821 C GLU A 54 -8.788 28.976 -6.756 1.00 1.81 C ATOM 822 O GLU A 54 -9.311 30.074 -6.580 1.00 2.23 O ATOM 823 CB GLU A 54 -10.911 27.988 -7.652 1.00 1.80 C ATOM 824 CG GLU A 54 -11.733 27.166 -8.652 1.00 2.10 C ATOM 825 CD GLU A 54 -13.041 26.786 -7.960 1.00 2.24 C ATOM 826 OE1 GLU A 54 -13.847 27.695 -7.657 1.00 2.90 O ATOM 827 OE2 GLU A 54 -13.130 25.646 -7.456 1.00 2.88 O ATOM 0 H GLU A 54 -8.302 26.388 -8.595 1.00 1.42 H new ATOM 0 HA GLU A 54 -9.088 28.344 -8.782 1.00 1.69 H new ATOM 0 HB2 GLU A 54 -11.153 27.632 -6.651 1.00 1.80 H new ATOM 0 HB3 GLU A 54 -11.251 29.022 -7.713 1.00 1.80 H new ATOM 0 HG2 GLU A 54 -11.930 27.744 -9.555 1.00 2.10 H new ATOM 0 HG3 GLU A 54 -11.186 26.274 -8.957 1.00 2.10 H new ATOM 834 N GLY A 55 -7.728 28.582 -6.047 1.00 1.58 N ATOM 835 CA GLY A 55 -7.218 29.296 -4.863 1.00 1.68 C ATOM 836 C GLY A 55 -7.841 28.830 -3.540 1.00 1.55 C ATOM 837 O GLY A 55 -7.862 29.584 -2.572 1.00 1.79 O ATOM 0 H GLY A 55 -7.189 27.747 -6.278 1.00 1.58 H new ATOM 0 HA2 GLY A 55 -6.137 29.166 -4.810 1.00 1.68 H new ATOM 0 HA3 GLY A 55 -7.405 30.363 -4.986 1.00 1.68 H new ATOM 841 N LYS A 56 -8.364 27.598 -3.496 1.00 1.32 N ATOM 842 CA LYS A 56 -8.738 26.894 -2.270 1.00 1.38 C ATOM 843 C LYS A 56 -8.028 25.530 -2.220 1.00 1.18 C ATOM 844 O LYS A 56 -8.065 24.744 -3.175 1.00 0.99 O ATOM 845 CB LYS A 56 -10.267 26.693 -2.178 1.00 1.50 C ATOM 846 CG LYS A 56 -11.123 27.962 -2.383 1.00 1.81 C ATOM 847 CD LYS A 56 -11.841 27.970 -3.743 1.00 2.32 C ATOM 848 CE LYS A 56 -13.037 27.002 -3.735 1.00 2.17 C ATOM 849 NZ LYS A 56 -13.622 26.781 -5.081 1.00 2.54 N ATOM 0 H LYS A 56 -8.542 27.051 -4.338 1.00 1.32 H new ATOM 0 HA LYS A 56 -8.428 27.503 -1.421 1.00 1.38 H new ATOM 0 HB2 LYS A 56 -10.563 25.953 -2.922 1.00 1.50 H new ATOM 0 HB3 LYS A 56 -10.502 26.273 -1.200 1.00 1.50 H new ATOM 0 HG2 LYS A 56 -11.862 28.032 -1.585 1.00 1.81 H new ATOM 0 HG3 LYS A 56 -10.486 28.843 -2.306 1.00 1.81 H new ATOM 0 HD2 LYS A 56 -12.185 28.979 -3.972 1.00 2.32 H new ATOM 0 HD3 LYS A 56 -11.142 27.686 -4.530 1.00 2.32 H new ATOM 0 HE2 LYS A 56 -12.718 26.044 -3.323 1.00 2.17 H new ATOM 0 HE3 LYS A 56 -13.808 27.393 -3.071 1.00 2.17 H new ATOM 0 HZ1 LYS A 56 -14.618 26.497 -4.984 1.00 2.54 H new ATOM 0 HZ2 LYS A 56 -13.565 27.661 -5.633 1.00 2.54 H new ATOM 0 HZ3 LYS A 56 -13.094 26.031 -5.570 1.00 2.54 H new ATOM 863 N LYS A 57 -7.428 25.211 -1.077 1.00 1.27 N ATOM 864 CA LYS A 57 -6.687 23.985 -0.837 1.00 1.14 C ATOM 865 C LYS A 57 -7.641 22.799 -0.688 1.00 1.08 C ATOM 866 O LYS A 57 -8.667 22.876 -0.005 1.00 1.27 O ATOM 867 CB LYS A 57 -5.743 24.207 0.364 1.00 1.32 C ATOM 868 CG LYS A 57 -6.449 24.343 1.724 1.00 1.61 C ATOM 869 CD LYS A 57 -6.536 22.993 2.447 1.00 3.14 C ATOM 870 CE LYS A 57 -7.724 22.945 3.416 1.00 4.81 C ATOM 871 NZ LYS A 57 -8.978 22.586 2.707 1.00 6.40 N ATOM 0 H LYS A 57 -7.448 25.826 -0.263 1.00 1.27 H new ATOM 0 HA LYS A 57 -6.059 23.730 -1.691 1.00 1.14 H new ATOM 0 HB2 LYS A 57 -5.042 23.374 0.416 1.00 1.32 H new ATOM 0 HB3 LYS A 57 -5.155 25.107 0.184 1.00 1.32 H new ATOM 0 HG2 LYS A 57 -5.909 25.057 2.346 1.00 1.61 H new ATOM 0 HG3 LYS A 57 -7.452 24.744 1.577 1.00 1.61 H new ATOM 0 HD2 LYS A 57 -6.632 22.193 1.713 1.00 3.14 H new ATOM 0 HD3 LYS A 57 -5.611 22.813 2.995 1.00 3.14 H new ATOM 0 HE2 LYS A 57 -7.526 22.217 4.203 1.00 4.81 H new ATOM 0 HE3 LYS A 57 -7.841 23.914 3.901 1.00 4.81 H new ATOM 0 HZ1 LYS A 57 -9.671 23.354 2.817 1.00 6.40 H new ATOM 0 HZ2 LYS A 57 -8.777 22.443 1.697 1.00 6.40 H new ATOM 0 HZ3 LYS A 57 -9.366 21.709 3.110 1.00 6.40 H new ATOM 885 N VAL A 58 -7.265 21.681 -1.275 1.00 0.95 N ATOM 886 CA VAL A 58 -8.015 20.418 -1.330 1.00 0.94 C ATOM 887 C VAL A 58 -7.032 19.250 -1.506 1.00 0.79 C ATOM 888 O VAL A 58 -5.821 19.457 -1.530 1.00 0.89 O ATOM 889 CB VAL A 58 -9.114 20.504 -2.425 1.00 1.10 C ATOM 890 CG1 VAL A 58 -8.544 20.463 -3.851 1.00 2.03 C ATOM 891 CG2 VAL A 58 -10.222 19.449 -2.273 1.00 2.26 C ATOM 0 H VAL A 58 -6.371 21.614 -1.761 1.00 0.95 H new ATOM 0 HA VAL A 58 -8.544 20.233 -0.395 1.00 0.94 H new ATOM 0 HB VAL A 58 -9.569 21.482 -2.266 1.00 1.10 H new ATOM 0 HG11 VAL A 58 -9.360 20.527 -4.571 1.00 2.03 H new ATOM 0 HG12 VAL A 58 -7.866 21.304 -3.996 1.00 2.03 H new ATOM 0 HG13 VAL A 58 -8.001 19.529 -3.999 1.00 2.03 H new ATOM 0 HG21 VAL A 58 -10.953 19.571 -3.072 1.00 2.26 H new ATOM 0 HG22 VAL A 58 -9.785 18.452 -2.330 1.00 2.26 H new ATOM 0 HG23 VAL A 58 -10.715 19.575 -1.309 1.00 2.26 H new ATOM 901 N MET A 59 -7.524 18.017 -1.588 1.00 0.74 N ATOM 902 CA MET A 59 -6.691 16.815 -1.686 1.00 0.67 C ATOM 903 C MET A 59 -6.903 16.068 -3.005 1.00 0.75 C ATOM 904 O MET A 59 -7.825 16.364 -3.776 1.00 1.23 O ATOM 905 CB MET A 59 -6.909 15.925 -0.449 1.00 0.78 C ATOM 906 CG MET A 59 -6.304 16.579 0.804 1.00 0.81 C ATOM 907 SD MET A 59 -7.282 17.886 1.601 1.00 2.66 S ATOM 908 CE MET A 59 -5.933 18.975 2.123 1.00 3.23 C ATOM 0 H MET A 59 -8.525 17.819 -1.589 1.00 0.74 H new ATOM 0 HA MET A 59 -5.644 17.119 -1.697 1.00 0.67 H new ATOM 0 HB2 MET A 59 -7.975 15.757 -0.299 1.00 0.78 H new ATOM 0 HB3 MET A 59 -6.453 14.949 -0.612 1.00 0.78 H new ATOM 0 HG2 MET A 59 -6.120 15.796 1.540 1.00 0.81 H new ATOM 0 HG3 MET A 59 -5.334 16.997 0.534 1.00 0.81 H new ATOM 0 HE1 MET A 59 -6.224 19.506 3.030 1.00 3.23 H new ATOM 0 HE2 MET A 59 -5.041 18.380 2.321 1.00 3.23 H new ATOM 0 HE3 MET A 59 -5.721 19.696 1.333 1.00 3.23 H new ATOM 918 N GLY A 60 -5.995 15.136 -3.297 1.00 0.50 N ATOM 919 CA GLY A 60 -5.974 14.306 -4.497 1.00 0.53 C ATOM 920 C GLY A 60 -5.348 12.937 -4.235 1.00 0.46 C ATOM 921 O GLY A 60 -4.775 12.693 -3.178 1.00 0.53 O ATOM 0 H GLY A 60 -5.217 14.931 -2.670 1.00 0.50 H new ATOM 0 HA2 GLY A 60 -6.992 14.175 -4.865 1.00 0.53 H new ATOM 0 HA3 GLY A 60 -5.415 14.816 -5.281 1.00 0.53 H new ATOM 925 N MET A 61 -5.459 12.061 -5.232 1.00 0.46 N ATOM 926 CA MET A 61 -4.849 10.736 -5.300 1.00 0.46 C ATOM 927 C MET A 61 -4.697 10.326 -6.766 1.00 0.49 C ATOM 928 O MET A 61 -5.599 10.529 -7.593 1.00 0.60 O ATOM 929 CB MET A 61 -5.736 9.762 -4.513 1.00 0.56 C ATOM 930 CG MET A 61 -5.523 8.274 -4.814 1.00 0.50 C ATOM 931 SD MET A 61 -6.926 7.162 -4.480 1.00 0.52 S ATOM 932 CE MET A 61 -7.691 7.911 -3.029 1.00 0.63 C ATOM 0 H MET A 61 -6.011 12.271 -6.064 1.00 0.46 H new ATOM 0 HA MET A 61 -3.853 10.731 -4.857 1.00 0.46 H new ATOM 0 HB2 MET A 61 -5.568 9.926 -3.449 1.00 0.56 H new ATOM 0 HB3 MET A 61 -6.779 10.008 -4.712 1.00 0.56 H new ATOM 0 HG2 MET A 61 -5.253 8.175 -5.865 1.00 0.50 H new ATOM 0 HG3 MET A 61 -4.669 7.928 -4.232 1.00 0.50 H new ATOM 0 HE1 MET A 61 -8.379 7.200 -2.572 1.00 0.63 H new ATOM 0 HE2 MET A 61 -6.918 8.182 -2.309 1.00 0.63 H new ATOM 0 HE3 MET A 61 -8.238 8.805 -3.327 1.00 0.63 H new ATOM 942 N ARG A 62 -3.555 9.729 -7.077 1.00 0.49 N ATOM 943 CA ARG A 62 -3.066 9.376 -8.408 1.00 0.53 C ATOM 944 C ARG A 62 -2.284 8.045 -8.332 1.00 0.51 C ATOM 945 O ARG A 62 -1.737 7.719 -7.279 1.00 0.51 O ATOM 946 CB ARG A 62 -2.188 10.550 -8.910 1.00 0.66 C ATOM 947 CG ARG A 62 -2.945 11.790 -9.421 1.00 1.45 C ATOM 948 CD ARG A 62 -3.788 11.585 -10.687 1.00 2.76 C ATOM 949 NE ARG A 62 -5.109 11.047 -10.331 1.00 4.84 N ATOM 950 CZ ARG A 62 -6.173 10.852 -11.096 1.00 6.79 C ATOM 951 NH1 ARG A 62 -6.182 11.110 -12.392 1.00 7.13 N ATOM 952 NH2 ARG A 62 -7.249 10.373 -10.509 1.00 8.56 N ATOM 0 H ARG A 62 -2.893 9.457 -6.351 1.00 0.49 H new ATOM 0 HA ARG A 62 -3.883 9.223 -9.113 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -1.531 10.860 -8.097 1.00 0.66 H new ATOM 0 HB3 ARG A 62 -1.550 10.182 -9.713 1.00 0.66 H new ATOM 0 HG2 ARG A 62 -3.600 12.146 -8.625 1.00 1.45 H new ATOM 0 HG3 ARG A 62 -2.220 12.580 -9.615 1.00 1.45 H new ATOM 0 HD2 ARG A 62 -3.902 12.532 -11.215 1.00 2.76 H new ATOM 0 HD3 ARG A 62 -3.279 10.901 -11.366 1.00 2.76 H new ATOM 0 HE ARG A 62 -5.223 10.786 -9.352 1.00 4.84 H new ATOM 0 HH11 ARG A 62 -5.345 11.476 -12.845 1.00 7.13 H new ATOM 0 HH12 ARG A 62 -7.026 10.943 -12.939 1.00 7.13 H new ATOM 0 HH21 ARG A 62 -7.237 10.170 -9.509 1.00 8.56 H new ATOM 0 HH22 ARG A 62 -8.095 10.205 -11.054 1.00 8.56 H new ATOM 966 N PRO A 63 -2.266 7.225 -9.402 1.00 0.54 N ATOM 967 CA PRO A 63 -1.487 5.989 -9.433 1.00 0.57 C ATOM 968 C PRO A 63 0.003 6.312 -9.567 1.00 0.58 C ATOM 969 O PRO A 63 0.332 7.367 -10.107 1.00 0.58 O ATOM 970 CB PRO A 63 -2.020 5.204 -10.632 1.00 0.60 C ATOM 971 CG PRO A 63 -2.438 6.311 -11.602 1.00 0.60 C ATOM 972 CD PRO A 63 -2.953 7.416 -10.673 1.00 0.59 C ATOM 0 HA PRO A 63 -1.586 5.405 -8.518 1.00 0.57 H new ATOM 0 HB2 PRO A 63 -1.257 4.556 -11.063 1.00 0.60 H new ATOM 0 HB3 PRO A 63 -2.861 4.568 -10.357 1.00 0.60 H new ATOM 0 HG2 PRO A 63 -1.599 6.653 -12.208 1.00 0.60 H new ATOM 0 HG3 PRO A 63 -3.211 5.972 -12.291 1.00 0.60 H new ATOM 0 HD2 PRO A 63 -2.742 8.403 -11.086 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -4.033 7.347 -10.547 1.00 0.59 H new ATOM 980 N VAL A 64 0.891 5.415 -9.113 1.00 0.61 N ATOM 981 CA VAL A 64 2.351 5.598 -9.300 1.00 0.59 C ATOM 982 C VAL A 64 3.008 4.288 -9.766 1.00 0.60 C ATOM 983 O VAL A 64 2.455 3.231 -9.475 1.00 0.62 O ATOM 984 CB VAL A 64 3.042 6.193 -8.046 1.00 0.54 C ATOM 985 CG1 VAL A 64 2.548 7.618 -7.768 1.00 0.65 C ATOM 986 CG2 VAL A 64 2.903 5.341 -6.778 1.00 0.60 C ATOM 0 H VAL A 64 0.634 4.561 -8.618 1.00 0.61 H new ATOM 0 HA VAL A 64 2.490 6.337 -10.089 1.00 0.59 H new ATOM 0 HB VAL A 64 4.104 6.205 -8.292 1.00 0.54 H new ATOM 0 HG11 VAL A 64 3.049 8.011 -6.883 1.00 0.65 H new ATOM 0 HG12 VAL A 64 2.772 8.254 -8.624 1.00 0.65 H new ATOM 0 HG13 VAL A 64 1.471 7.603 -7.599 1.00 0.65 H new ATOM 0 HG21 VAL A 64 3.416 5.833 -5.951 1.00 0.60 H new ATOM 0 HG22 VAL A 64 1.848 5.224 -6.532 1.00 0.60 H new ATOM 0 HG23 VAL A 64 3.347 4.360 -6.948 1.00 0.60 H new ATOM 996 N PRO A 65 4.129 4.324 -10.523 1.00 0.65 N ATOM 997 CA PRO A 65 4.687 3.142 -11.188 1.00 0.70 C ATOM 998 C PRO A 65 5.446 2.223 -10.229 1.00 0.67 C ATOM 999 O PRO A 65 5.573 1.035 -10.508 1.00 0.69 O ATOM 1000 CB PRO A 65 5.600 3.698 -12.284 1.00 0.77 C ATOM 1001 CG PRO A 65 6.106 5.008 -11.687 1.00 0.74 C ATOM 1002 CD PRO A 65 4.902 5.505 -10.886 1.00 0.68 C ATOM 0 HA PRO A 65 3.896 2.511 -11.593 1.00 0.70 H new ATOM 0 HB2 PRO A 65 6.419 3.016 -12.510 1.00 0.77 H new ATOM 0 HB3 PRO A 65 5.057 3.863 -13.215 1.00 0.77 H new ATOM 0 HG2 PRO A 65 6.978 4.852 -11.052 1.00 0.74 H new ATOM 0 HG3 PRO A 65 6.398 5.718 -12.460 1.00 0.74 H new ATOM 0 HD2 PRO A 65 5.225 6.046 -9.996 1.00 0.68 H new ATOM 0 HD3 PRO A 65 4.301 6.195 -11.478 1.00 0.68 H new ATOM 1010 N PHE A 66 5.929 2.780 -9.114 1.00 0.63 N ATOM 1011 CA PHE A 66 6.670 2.122 -8.041 1.00 0.60 C ATOM 1012 C PHE A 66 7.020 3.140 -6.950 1.00 0.55 C ATOM 1013 O PHE A 66 6.998 4.352 -7.180 1.00 0.58 O ATOM 1014 CB PHE A 66 7.948 1.439 -8.557 1.00 0.65 C ATOM 1015 CG PHE A 66 8.940 2.398 -9.172 1.00 0.69 C ATOM 1016 CD1 PHE A 66 9.833 3.092 -8.341 1.00 1.58 C ATOM 1017 CD2 PHE A 66 8.908 2.662 -10.551 1.00 2.11 C ATOM 1018 CE1 PHE A 66 10.676 4.075 -8.867 1.00 1.52 C ATOM 1019 CE2 PHE A 66 9.783 3.622 -11.095 1.00 2.21 C ATOM 1020 CZ PHE A 66 10.664 4.333 -10.252 1.00 0.84 C ATOM 0 H PHE A 66 5.801 3.775 -8.927 1.00 0.63 H new ATOM 0 HA PHE A 66 6.030 1.344 -7.625 1.00 0.60 H new ATOM 0 HB2 PHE A 66 8.428 0.913 -7.731 1.00 0.65 H new ATOM 0 HB3 PHE A 66 7.675 0.688 -9.298 1.00 0.65 H new ATOM 0 HD1 PHE A 66 9.869 2.865 -7.286 1.00 1.58 H new ATOM 0 HD2 PHE A 66 8.217 2.132 -11.190 1.00 2.11 H new ATOM 0 HE1 PHE A 66 11.332 4.633 -8.216 1.00 1.52 H new ATOM 0 HE2 PHE A 66 9.780 3.814 -12.158 1.00 2.21 H new ATOM 0 HZ PHE A 66 11.329 5.075 -10.669 1.00 0.84 H new ATOM 1030 N LEU A 67 7.427 2.628 -5.787 1.00 0.54 N ATOM 1031 CA LEU A 67 8.095 3.402 -4.742 1.00 0.60 C ATOM 1032 C LEU A 67 9.560 3.000 -4.651 1.00 0.64 C ATOM 1033 O LEU A 67 9.900 1.854 -4.926 1.00 0.61 O ATOM 1034 CB LEU A 67 7.445 3.155 -3.373 1.00 0.60 C ATOM 1035 CG LEU A 67 5.912 3.216 -3.314 1.00 0.56 C ATOM 1036 CD1 LEU A 67 5.520 3.124 -1.840 1.00 0.59 C ATOM 1037 CD2 LEU A 67 5.321 4.483 -3.934 1.00 0.70 C ATOM 0 H LEU A 67 7.299 1.646 -5.542 1.00 0.54 H new ATOM 0 HA LEU A 67 8.004 4.456 -5.003 1.00 0.60 H new ATOM 0 HB2 LEU A 67 7.760 2.173 -3.020 1.00 0.60 H new ATOM 0 HB3 LEU A 67 7.842 3.889 -2.671 1.00 0.60 H new ATOM 0 HG LEU A 67 5.510 2.392 -3.903 1.00 0.56 H new ATOM 0 HD11 LEU A 67 4.435 3.164 -1.749 1.00 0.59 H new ATOM 0 HD12 LEU A 67 5.885 2.185 -1.424 1.00 0.59 H new ATOM 0 HD13 LEU A 67 5.961 3.958 -1.294 1.00 0.59 H new ATOM 0 HD21 LEU A 67 4.234 4.454 -3.855 1.00 0.70 H new ATOM 0 HD22 LEU A 67 5.700 5.358 -3.405 1.00 0.70 H new ATOM 0 HD23 LEU A 67 5.607 4.542 -4.984 1.00 0.70 H new ATOM 1049 N GLU A 68 10.405 3.940 -4.243 1.00 0.78 N ATOM 1050 CA GLU A 68 11.842 3.732 -4.054 1.00 0.87 C ATOM 1051 C GLU A 68 12.160 3.764 -2.564 1.00 0.87 C ATOM 1052 O GLU A 68 11.574 4.574 -1.845 1.00 0.90 O ATOM 1053 CB GLU A 68 12.627 4.845 -4.772 1.00 1.06 C ATOM 1054 CG GLU A 68 14.156 4.746 -4.621 1.00 1.15 C ATOM 1055 CD GLU A 68 14.773 3.658 -5.506 1.00 0.88 C ATOM 1056 OE1 GLU A 68 14.114 2.631 -5.766 1.00 2.08 O ATOM 1057 OE2 GLU A 68 15.900 3.849 -6.007 1.00 1.68 O ATOM 0 H GLU A 68 10.106 4.891 -4.029 1.00 0.78 H new ATOM 0 HA GLU A 68 12.129 2.766 -4.471 1.00 0.87 H new ATOM 0 HB2 GLU A 68 12.377 4.822 -5.833 1.00 1.06 H new ATOM 0 HB3 GLU A 68 12.298 5.810 -4.387 1.00 1.06 H new ATOM 0 HG2 GLU A 68 14.604 5.708 -4.871 1.00 1.15 H new ATOM 0 HG3 GLU A 68 14.401 4.542 -3.579 1.00 1.15 H new ATOM 1064 N VAL A 69 13.107 2.939 -2.108 1.00 0.89 N ATOM 1065 CA VAL A 69 13.592 2.967 -0.721 1.00 0.92 C ATOM 1066 C VAL A 69 15.115 2.761 -0.636 1.00 0.99 C ATOM 1067 O VAL A 69 15.617 1.748 -1.127 1.00 0.96 O ATOM 1068 CB VAL A 69 12.856 1.927 0.170 1.00 0.87 C ATOM 1069 CG1 VAL A 69 13.233 2.072 1.657 1.00 0.95 C ATOM 1070 CG2 VAL A 69 11.323 2.069 0.072 1.00 0.92 C ATOM 0 H VAL A 69 13.560 2.233 -2.688 1.00 0.89 H new ATOM 0 HA VAL A 69 13.367 3.963 -0.339 1.00 0.92 H new ATOM 0 HB VAL A 69 13.170 0.953 -0.204 1.00 0.87 H new ATOM 0 HG11 VAL A 69 12.696 1.326 2.243 1.00 0.95 H new ATOM 0 HG12 VAL A 69 14.306 1.923 1.776 1.00 0.95 H new ATOM 0 HG13 VAL A 69 12.964 3.069 2.005 1.00 0.95 H new ATOM 0 HG21 VAL A 69 10.847 1.324 0.710 1.00 0.92 H new ATOM 0 HG22 VAL A 69 11.028 3.067 0.398 1.00 0.92 H new ATOM 0 HG23 VAL A 69 11.009 1.917 -0.961 1.00 0.92 H new ATOM 1080 N PRO A 70 15.871 3.670 0.010 1.00 1.11 N ATOM 1081 CA PRO A 70 17.320 3.541 0.154 1.00 1.20 C ATOM 1082 C PRO A 70 17.698 2.377 1.090 1.00 1.20 C ATOM 1083 O PRO A 70 16.831 1.844 1.788 1.00 1.15 O ATOM 1084 CB PRO A 70 17.787 4.896 0.708 1.00 1.28 C ATOM 1085 CG PRO A 70 16.583 5.382 1.509 1.00 1.24 C ATOM 1086 CD PRO A 70 15.409 4.883 0.674 1.00 1.16 C ATOM 0 HA PRO A 70 17.802 3.307 -0.795 1.00 1.20 H new ATOM 0 HB2 PRO A 70 18.672 4.790 1.336 1.00 1.28 H new ATOM 0 HB3 PRO A 70 18.045 5.590 -0.092 1.00 1.28 H new ATOM 0 HG2 PRO A 70 16.571 4.966 2.516 1.00 1.24 H new ATOM 0 HG3 PRO A 70 16.575 6.467 1.612 1.00 1.24 H new ATOM 0 HD2 PRO A 70 14.543 4.677 1.303 1.00 1.16 H new ATOM 0 HD3 PRO A 70 15.102 5.633 -0.055 1.00 1.16 H new ATOM 1094 N PRO A 71 18.985 1.980 1.137 1.00 1.28 N ATOM 1095 CA PRO A 71 19.497 1.060 2.147 1.00 1.37 C ATOM 1096 C PRO A 71 19.208 1.565 3.560 1.00 1.52 C ATOM 1097 O PRO A 71 19.266 2.767 3.820 1.00 1.69 O ATOM 1098 CB PRO A 71 20.984 0.899 1.853 1.00 1.56 C ATOM 1099 CG PRO A 71 21.355 2.097 0.984 1.00 1.59 C ATOM 1100 CD PRO A 71 20.057 2.423 0.258 1.00 1.38 C ATOM 0 HA PRO A 71 19.003 0.089 2.102 1.00 1.37 H new ATOM 0 HB2 PRO A 71 21.568 0.885 2.773 1.00 1.56 H new ATOM 0 HB3 PRO A 71 21.183 -0.039 1.335 1.00 1.56 H new ATOM 0 HG2 PRO A 71 21.701 2.938 1.585 1.00 1.59 H new ATOM 0 HG3 PRO A 71 22.156 1.854 0.286 1.00 1.59 H new ATOM 0 HD2 PRO A 71 19.980 3.491 0.056 1.00 1.38 H new ATOM 0 HD3 PRO A 71 20.009 1.913 -0.704 1.00 1.38 H new ATOM 1108 N LYS A 72 18.840 0.641 4.457 1.00 1.52 N ATOM 1109 CA LYS A 72 18.456 0.905 5.861 1.00 1.74 C ATOM 1110 C LYS A 72 17.127 1.682 6.004 1.00 1.77 C ATOM 1111 O LYS A 72 16.682 1.983 7.113 1.00 2.03 O ATOM 1112 CB LYS A 72 19.612 1.570 6.635 1.00 2.12 C ATOM 1113 CG LYS A 72 21.011 1.015 6.314 1.00 2.42 C ATOM 1114 CD LYS A 72 21.179 -0.497 6.549 1.00 2.19 C ATOM 1115 CE LYS A 72 22.507 -0.955 5.937 1.00 2.42 C ATOM 1116 NZ LYS A 72 22.695 -2.419 6.029 1.00 2.28 N ATOM 0 H LYS A 72 18.798 -0.351 4.222 1.00 1.52 H new ATOM 0 HA LYS A 72 18.264 -0.066 6.317 1.00 1.74 H new ATOM 0 HB2 LYS A 72 19.604 2.639 6.423 1.00 2.12 H new ATOM 0 HB3 LYS A 72 19.428 1.455 7.703 1.00 2.12 H new ATOM 0 HG2 LYS A 72 21.242 1.234 5.271 1.00 2.42 H new ATOM 0 HG3 LYS A 72 21.744 1.546 6.921 1.00 2.42 H new ATOM 0 HD2 LYS A 72 21.162 -0.716 7.617 1.00 2.19 H new ATOM 0 HD3 LYS A 72 20.350 -1.042 6.098 1.00 2.19 H new ATOM 0 HE2 LYS A 72 22.546 -0.652 4.891 1.00 2.42 H new ATOM 0 HE3 LYS A 72 23.330 -0.453 6.445 1.00 2.42 H new ATOM 0 HZ1 LYS A 72 23.524 -2.626 6.622 1.00 2.28 H new ATOM 0 HZ2 LYS A 72 21.850 -2.852 6.453 1.00 2.28 H new ATOM 0 HZ3 LYS A 72 22.844 -2.810 5.077 1.00 2.28 H new ATOM 1130 N GLY A 73 16.480 2.004 4.881 1.00 1.64 N ATOM 1131 CA GLY A 73 15.222 2.752 4.798 1.00 1.80 C ATOM 1132 C GLY A 73 14.005 1.888 5.136 1.00 1.49 C ATOM 1133 O GLY A 73 14.045 0.663 5.012 1.00 1.19 O ATOM 0 H GLY A 73 16.835 1.738 3.962 1.00 1.64 H new ATOM 0 HA2 GLY A 73 15.262 3.601 5.480 1.00 1.80 H new ATOM 0 HA3 GLY A 73 15.109 3.156 3.792 1.00 1.80 H new ATOM 1137 N ARG A 74 12.911 2.535 5.551 1.00 1.67 N ATOM 1138 CA ARG A 74 11.655 1.893 5.953 1.00 1.34 C ATOM 1139 C ARG A 74 10.610 2.074 4.849 1.00 1.87 C ATOM 1140 O ARG A 74 10.393 3.178 4.357 1.00 2.66 O ATOM 1141 CB ARG A 74 11.135 2.471 7.283 1.00 1.86 C ATOM 1142 CG ARG A 74 12.056 2.164 8.480 1.00 1.71 C ATOM 1143 CD ARG A 74 11.508 2.654 9.822 1.00 2.15 C ATOM 1144 NE ARG A 74 11.290 4.117 9.833 1.00 3.84 N ATOM 1145 CZ ARG A 74 10.120 4.719 9.634 1.00 4.93 C ATOM 1146 NH1 ARG A 74 8.967 4.090 9.685 1.00 4.54 N ATOM 1147 NH2 ARG A 74 10.061 5.994 9.322 1.00 6.94 N ATOM 0 H ARG A 74 12.874 3.552 5.619 1.00 1.67 H new ATOM 0 HA ARG A 74 11.842 0.830 6.104 1.00 1.34 H new ATOM 0 HB2 ARG A 74 11.026 3.551 7.184 1.00 1.86 H new ATOM 0 HB3 ARG A 74 10.143 2.068 7.484 1.00 1.86 H new ATOM 0 HG2 ARG A 74 12.218 1.087 8.535 1.00 1.71 H new ATOM 0 HG3 ARG A 74 13.029 2.624 8.305 1.00 1.71 H new ATOM 0 HD2 ARG A 74 10.568 2.146 10.036 1.00 2.15 H new ATOM 0 HD3 ARG A 74 12.204 2.386 10.617 1.00 2.15 H new ATOM 0 HE ARG A 74 12.100 4.711 10.007 1.00 3.84 H new ATOM 0 HH11 ARG A 74 8.940 3.090 9.885 1.00 4.54 H new ATOM 0 HH12 ARG A 74 8.099 4.602 9.524 1.00 4.54 H new ATOM 0 HH21 ARG A 74 10.920 6.537 9.229 1.00 6.94 H new ATOM 0 HH22 ARG A 74 9.156 6.441 9.173 1.00 6.94 H new ATOM 1161 N VAL A 75 9.941 0.987 4.497 1.00 1.93 N ATOM 1162 CA VAL A 75 8.985 0.842 3.391 1.00 2.94 C ATOM 1163 C VAL A 75 7.568 1.093 3.942 1.00 2.12 C ATOM 1164 O VAL A 75 6.684 0.246 3.878 1.00 2.25 O ATOM 1165 CB VAL A 75 9.126 -0.567 2.747 1.00 4.29 C ATOM 1166 CG1 VAL A 75 8.429 -0.650 1.381 1.00 5.33 C ATOM 1167 CG2 VAL A 75 10.595 -1.021 2.584 1.00 5.21 C ATOM 0 H VAL A 75 10.055 0.113 5.011 1.00 1.93 H new ATOM 0 HA VAL A 75 9.186 1.569 2.605 1.00 2.94 H new ATOM 0 HB VAL A 75 8.636 -1.241 3.449 1.00 4.29 H new ATOM 0 HG11 VAL A 75 8.554 -1.651 0.969 1.00 5.33 H new ATOM 0 HG12 VAL A 75 7.367 -0.437 1.501 1.00 5.33 H new ATOM 0 HG13 VAL A 75 8.871 0.079 0.702 1.00 5.33 H new ATOM 0 HG21 VAL A 75 10.621 -2.011 2.129 1.00 5.21 H new ATOM 0 HG22 VAL A 75 11.126 -0.314 1.946 1.00 5.21 H new ATOM 0 HG23 VAL A 75 11.075 -1.058 3.562 1.00 5.21 H new ATOM 1177 N GLU A 76 7.399 2.259 4.564 1.00 1.64 N ATOM 1178 CA GLU A 76 6.192 2.711 5.263 1.00 1.02 C ATOM 1179 C GLU A 76 5.295 3.489 4.296 1.00 0.90 C ATOM 1180 O GLU A 76 5.461 4.695 4.073 1.00 1.05 O ATOM 1181 CB GLU A 76 6.550 3.509 6.528 1.00 1.61 C ATOM 1182 CG GLU A 76 7.780 4.422 6.377 1.00 2.62 C ATOM 1183 CD GLU A 76 7.562 5.822 6.945 1.00 2.98 C ATOM 1184 OE1 GLU A 76 7.556 5.953 8.189 1.00 3.23 O ATOM 1185 OE2 GLU A 76 7.442 6.775 6.147 1.00 3.92 O ATOM 0 H GLU A 76 8.143 2.956 4.597 1.00 1.64 H new ATOM 0 HA GLU A 76 5.626 1.846 5.607 1.00 1.02 H new ATOM 0 HB2 GLU A 76 5.693 4.119 6.813 1.00 1.61 H new ATOM 0 HB3 GLU A 76 6.729 2.810 7.345 1.00 1.61 H new ATOM 0 HG2 GLU A 76 8.630 3.961 6.879 1.00 2.62 H new ATOM 0 HG3 GLU A 76 8.038 4.501 5.321 1.00 2.62 H new ATOM 1192 N LEU A 77 4.367 2.740 3.691 1.00 0.73 N ATOM 1193 CA LEU A 77 3.601 3.134 2.511 1.00 0.85 C ATOM 1194 C LEU A 77 2.931 4.498 2.703 1.00 1.47 C ATOM 1195 O LEU A 77 3.249 5.408 1.941 1.00 3.39 O ATOM 1196 CB LEU A 77 2.615 2.000 2.145 1.00 0.66 C ATOM 1197 CG LEU A 77 2.641 1.611 0.656 1.00 0.78 C ATOM 1198 CD1 LEU A 77 3.946 0.907 0.255 1.00 0.93 C ATOM 1199 CD2 LEU A 77 1.486 0.655 0.342 1.00 1.36 C ATOM 0 H LEU A 77 4.122 1.808 4.025 1.00 0.73 H new ATOM 0 HA LEU A 77 4.272 3.271 1.663 1.00 0.85 H new ATOM 0 HB2 LEU A 77 2.849 1.120 2.745 1.00 0.66 H new ATOM 0 HB3 LEU A 77 1.605 2.309 2.413 1.00 0.66 H new ATOM 0 HG LEU A 77 2.553 2.541 0.094 1.00 0.78 H new ATOM 0 HD11 LEU A 77 3.912 0.654 -0.805 1.00 0.93 H new ATOM 0 HD12 LEU A 77 4.790 1.571 0.443 1.00 0.93 H new ATOM 0 HD13 LEU A 77 4.063 -0.004 0.842 1.00 0.93 H new ATOM 0 HD21 LEU A 77 1.513 0.386 -0.714 1.00 1.36 H new ATOM 0 HD22 LEU A 77 1.584 -0.245 0.949 1.00 1.36 H new ATOM 0 HD23 LEU A 77 0.538 1.143 0.568 1.00 1.36 H new ATOM 1211 N LYS A 78 2.113 4.637 3.770 1.00 0.94 N ATOM 1212 CA LYS A 78 1.632 5.882 4.423 1.00 1.07 C ATOM 1213 C LYS A 78 0.114 6.147 4.258 1.00 0.88 C ATOM 1214 O LYS A 78 -0.371 6.202 3.128 1.00 0.99 O ATOM 1215 CB LYS A 78 2.465 7.095 3.968 1.00 1.73 C ATOM 1216 CG LYS A 78 2.446 8.366 4.812 1.00 1.21 C ATOM 1217 CD LYS A 78 3.720 9.199 4.566 1.00 1.80 C ATOM 1218 CE LYS A 78 5.010 8.587 5.161 1.00 2.16 C ATOM 1219 NZ LYS A 78 5.725 7.613 4.285 1.00 3.02 N ATOM 0 H LYS A 78 1.738 3.812 4.239 1.00 0.94 H new ATOM 0 HA LYS A 78 1.778 5.729 5.492 1.00 1.07 H new ATOM 0 HB2 LYS A 78 3.502 6.770 3.887 1.00 1.73 H new ATOM 0 HB3 LYS A 78 2.135 7.362 2.964 1.00 1.73 H new ATOM 0 HG2 LYS A 78 1.564 8.959 4.567 1.00 1.21 H new ATOM 0 HG3 LYS A 78 2.373 8.107 5.868 1.00 1.21 H new ATOM 0 HD2 LYS A 78 3.855 9.325 3.492 1.00 1.80 H new ATOM 0 HD3 LYS A 78 3.576 10.193 4.988 1.00 1.80 H new ATOM 0 HE2 LYS A 78 5.695 9.398 5.407 1.00 2.16 H new ATOM 0 HE3 LYS A 78 4.756 8.089 6.097 1.00 2.16 H new ATOM 0 HZ1 LYS A 78 6.707 7.508 4.612 1.00 3.02 H new ATOM 0 HZ2 LYS A 78 5.246 6.691 4.327 1.00 3.02 H new ATOM 0 HZ3 LYS A 78 5.722 7.960 3.305 1.00 3.02 H new ATOM 1233 N PRO A 79 -0.631 6.405 5.364 1.00 1.04 N ATOM 1234 CA PRO A 79 -2.042 6.791 5.300 1.00 1.19 C ATOM 1235 C PRO A 79 -2.210 8.122 4.561 1.00 1.13 C ATOM 1236 O PRO A 79 -3.028 8.222 3.653 1.00 1.97 O ATOM 1237 CB PRO A 79 -2.528 6.863 6.751 1.00 1.63 C ATOM 1238 CG PRO A 79 -1.254 7.187 7.532 1.00 1.71 C ATOM 1239 CD PRO A 79 -0.193 6.406 6.758 1.00 1.46 C ATOM 0 HA PRO A 79 -2.635 6.070 4.738 1.00 1.19 H new ATOM 0 HB2 PRO A 79 -3.288 7.633 6.883 1.00 1.63 H new ATOM 0 HB3 PRO A 79 -2.970 5.921 7.075 1.00 1.63 H new ATOM 0 HG2 PRO A 79 -1.045 8.257 7.543 1.00 1.71 H new ATOM 0 HG3 PRO A 79 -1.320 6.864 8.571 1.00 1.71 H new ATOM 0 HD2 PRO A 79 0.787 6.873 6.859 1.00 1.46 H new ATOM 0 HD3 PRO A 79 -0.102 5.389 7.139 1.00 1.46 H new ATOM 1247 N GLY A 80 -1.378 9.118 4.889 1.00 1.10 N ATOM 1248 CA GLY A 80 -1.303 10.392 4.166 1.00 1.17 C ATOM 1249 C GLY A 80 -0.346 10.330 2.976 1.00 1.11 C ATOM 1250 O GLY A 80 0.446 11.250 2.803 1.00 1.81 O ATOM 0 H GLY A 80 -0.730 9.060 5.674 1.00 1.10 H new ATOM 0 HA2 GLY A 80 -2.298 10.667 3.815 1.00 1.17 H new ATOM 0 HA3 GLY A 80 -0.978 11.176 4.850 1.00 1.17 H new ATOM 1254 N GLY A 81 -0.349 9.226 2.221 1.00 0.71 N ATOM 1255 CA GLY A 81 0.439 9.079 0.995 1.00 0.78 C ATOM 1256 C GLY A 81 0.278 7.725 0.321 1.00 0.94 C ATOM 1257 O GLY A 81 -0.807 7.412 -0.174 1.00 1.77 O ATOM 0 H GLY A 81 -0.905 8.401 2.447 1.00 0.71 H new ATOM 0 HA2 GLY A 81 0.150 9.861 0.293 1.00 0.78 H new ATOM 0 HA3 GLY A 81 1.492 9.235 1.230 1.00 0.78 H new ATOM 1261 N TYR A 82 1.358 6.947 0.211 1.00 0.74 N ATOM 1262 CA TYR A 82 1.359 5.817 -0.719 1.00 0.69 C ATOM 1263 C TYR A 82 0.575 4.614 -0.218 1.00 0.69 C ATOM 1264 O TYR A 82 0.641 4.196 0.937 1.00 0.88 O ATOM 1265 CB TYR A 82 2.756 5.387 -1.164 1.00 0.83 C ATOM 1266 CG TYR A 82 3.557 6.511 -1.750 1.00 0.70 C ATOM 1267 CD1 TYR A 82 3.316 6.876 -3.078 1.00 1.83 C ATOM 1268 CD2 TYR A 82 4.521 7.193 -0.983 1.00 1.73 C ATOM 1269 CE1 TYR A 82 4.073 7.894 -3.668 1.00 1.74 C ATOM 1270 CE2 TYR A 82 5.262 8.237 -1.564 1.00 1.83 C ATOM 1271 CZ TYR A 82 5.047 8.588 -2.916 1.00 0.72 C ATOM 1272 OH TYR A 82 5.767 9.594 -3.486 1.00 0.87 O ATOM 0 H TYR A 82 2.221 7.074 0.739 1.00 0.74 H new ATOM 0 HA TYR A 82 0.841 6.208 -1.595 1.00 0.69 H new ATOM 0 HB2 TYR A 82 3.292 4.973 -0.310 1.00 0.83 H new ATOM 0 HB3 TYR A 82 2.667 4.589 -1.901 1.00 0.83 H new ATOM 0 HD1 TYR A 82 2.548 6.374 -3.647 1.00 1.83 H new ATOM 0 HD2 TYR A 82 4.690 6.915 0.047 1.00 1.73 H new ATOM 0 HE1 TYR A 82 3.912 8.151 -4.705 1.00 1.74 H new ATOM 0 HE2 TYR A 82 5.995 8.771 -0.977 1.00 1.83 H new ATOM 0 HH TYR A 82 6.391 9.963 -2.827 1.00 0.87 H new ATOM 1282 N HIS A 83 -0.184 4.038 -1.136 1.00 0.56 N ATOM 1283 CA HIS A 83 -1.103 2.959 -0.791 1.00 0.54 C ATOM 1284 C HIS A 83 -1.484 2.085 -1.979 1.00 0.59 C ATOM 1285 O HIS A 83 -1.800 2.590 -3.054 1.00 0.83 O ATOM 1286 CB HIS A 83 -2.322 3.520 -0.054 1.00 0.48 C ATOM 1287 CG HIS A 83 -3.214 4.405 -0.873 1.00 0.44 C ATOM 1288 ND1 HIS A 83 -3.071 5.759 -1.088 1.00 0.45 N ATOM 1289 CD2 HIS A 83 -4.273 3.975 -1.622 1.00 0.47 C ATOM 1290 CE1 HIS A 83 -4.011 6.119 -1.977 1.00 0.49 C ATOM 1291 NE2 HIS A 83 -4.790 5.078 -2.294 1.00 0.53 N ATOM 0 H HIS A 83 -0.184 4.296 -2.123 1.00 0.56 H new ATOM 0 HA HIS A 83 -0.577 2.286 -0.114 1.00 0.54 H new ATOM 0 HB2 HIS A 83 -2.913 2.686 0.324 1.00 0.48 H new ATOM 0 HB3 HIS A 83 -1.975 4.083 0.812 1.00 0.48 H new ATOM 0 HD1 HIS A 83 -2.381 6.372 -0.654 1.00 0.45 H new ATOM 0 HD2 HIS A 83 -4.642 2.962 -1.682 1.00 0.47 H new ATOM 0 HE1 HIS A 83 -4.123 7.114 -2.381 1.00 0.49 H new ATOM 1299 N PHE A 84 -1.537 0.772 -1.761 1.00 0.49 N ATOM 1300 CA PHE A 84 -2.131 -0.149 -2.725 1.00 0.55 C ATOM 1301 C PHE A 84 -3.647 -0.042 -2.607 1.00 0.61 C ATOM 1302 O PHE A 84 -4.167 -0.059 -1.491 1.00 0.71 O ATOM 1303 CB PHE A 84 -1.666 -1.588 -2.453 1.00 0.54 C ATOM 1304 CG PHE A 84 -0.220 -1.842 -2.822 1.00 0.57 C ATOM 1305 CD1 PHE A 84 0.132 -2.034 -4.170 1.00 2.37 C ATOM 1306 CD2 PHE A 84 0.781 -1.855 -1.834 1.00 1.84 C ATOM 1307 CE1 PHE A 84 1.475 -2.221 -4.529 1.00 2.54 C ATOM 1308 CE2 PHE A 84 2.128 -2.018 -2.198 1.00 1.72 C ATOM 1309 CZ PHE A 84 2.480 -2.190 -3.545 1.00 0.87 C ATOM 0 H PHE A 84 -1.174 0.322 -0.921 1.00 0.49 H new ATOM 0 HA PHE A 84 -1.816 0.111 -3.736 1.00 0.55 H new ATOM 0 HB2 PHE A 84 -1.806 -1.812 -1.395 1.00 0.54 H new ATOM 0 HB3 PHE A 84 -2.300 -2.277 -3.011 1.00 0.54 H new ATOM 0 HD1 PHE A 84 -0.634 -2.037 -4.931 1.00 2.37 H new ATOM 0 HD2 PHE A 84 0.514 -1.740 -0.794 1.00 1.84 H new ATOM 0 HE1 PHE A 84 1.738 -2.389 -5.563 1.00 2.54 H new ATOM 0 HE2 PHE A 84 2.895 -2.011 -1.438 1.00 1.72 H new ATOM 0 HZ PHE A 84 3.517 -2.298 -3.825 1.00 0.87 H new ATOM 1319 N MET A 85 -4.354 0.028 -3.737 1.00 0.65 N ATOM 1320 CA MET A 85 -5.780 -0.284 -3.818 1.00 0.79 C ATOM 1321 C MET A 85 -5.991 -1.692 -4.358 1.00 0.64 C ATOM 1322 O MET A 85 -5.586 -2.024 -5.472 1.00 0.75 O ATOM 1323 CB MET A 85 -6.591 0.787 -4.546 1.00 1.18 C ATOM 1324 CG MET A 85 -6.678 1.971 -3.572 1.00 1.71 C ATOM 1325 SD MET A 85 -7.777 3.342 -3.992 1.00 0.75 S ATOM 1326 CE MET A 85 -9.162 3.039 -2.850 1.00 0.75 C ATOM 0 H MET A 85 -3.947 0.306 -4.630 1.00 0.65 H new ATOM 0 HA MET A 85 -6.180 -0.270 -2.804 1.00 0.79 H new ATOM 0 HB2 MET A 85 -6.107 1.080 -5.477 1.00 1.18 H new ATOM 0 HB3 MET A 85 -7.584 0.419 -4.805 1.00 1.18 H new ATOM 0 HG2 MET A 85 -6.987 1.582 -2.602 1.00 1.71 H new ATOM 0 HG3 MET A 85 -5.673 2.375 -3.449 1.00 1.71 H new ATOM 0 HE1 MET A 85 -10.099 3.321 -3.331 1.00 0.75 H new ATOM 0 HE2 MET A 85 -9.193 1.981 -2.588 1.00 0.75 H new ATOM 0 HE3 MET A 85 -9.025 3.633 -1.946 1.00 0.75 H new ATOM 1336 N LEU A 86 -6.597 -2.514 -3.505 1.00 0.81 N ATOM 1337 CA LEU A 86 -6.873 -3.928 -3.710 1.00 0.84 C ATOM 1338 C LEU A 86 -8.213 -4.032 -4.441 1.00 0.86 C ATOM 1339 O LEU A 86 -9.248 -3.740 -3.845 1.00 1.23 O ATOM 1340 CB LEU A 86 -6.931 -4.610 -2.325 1.00 0.84 C ATOM 1341 CG LEU A 86 -5.577 -4.940 -1.658 1.00 0.80 C ATOM 1342 CD1 LEU A 86 -4.775 -3.696 -1.240 1.00 0.83 C ATOM 1343 CD2 LEU A 86 -5.838 -5.799 -0.413 1.00 0.91 C ATOM 0 H LEU A 86 -6.928 -2.187 -2.597 1.00 0.81 H new ATOM 0 HA LEU A 86 -6.103 -4.420 -4.305 1.00 0.84 H new ATOM 0 HB2 LEU A 86 -7.494 -3.965 -1.651 1.00 0.84 H new ATOM 0 HB3 LEU A 86 -7.496 -5.537 -2.425 1.00 0.84 H new ATOM 0 HG LEU A 86 -4.978 -5.468 -2.401 1.00 0.80 H new ATOM 0 HD11 LEU A 86 -3.837 -4.006 -0.779 1.00 0.83 H new ATOM 0 HD12 LEU A 86 -4.564 -3.087 -2.119 1.00 0.83 H new ATOM 0 HD13 LEU A 86 -5.355 -3.112 -0.525 1.00 0.83 H new ATOM 0 HD21 LEU A 86 -4.890 -6.040 0.068 1.00 0.91 H new ATOM 0 HD22 LEU A 86 -6.469 -5.247 0.284 1.00 0.91 H new ATOM 0 HD23 LEU A 86 -6.341 -6.721 -0.706 1.00 0.91 H new ATOM 1355 N LEU A 87 -8.186 -4.395 -5.725 1.00 0.59 N ATOM 1356 CA LEU A 87 -9.334 -4.433 -6.636 1.00 0.63 C ATOM 1357 C LEU A 87 -9.692 -5.878 -7.010 1.00 0.63 C ATOM 1358 O LEU A 87 -8.823 -6.723 -7.258 1.00 0.65 O ATOM 1359 CB LEU A 87 -9.010 -3.624 -7.914 1.00 0.89 C ATOM 1360 CG LEU A 87 -9.422 -2.144 -7.886 1.00 0.87 C ATOM 1361 CD1 LEU A 87 -8.575 -1.313 -6.912 1.00 1.74 C ATOM 1362 CD2 LEU A 87 -9.300 -1.533 -9.289 1.00 1.81 C ATOM 0 H LEU A 87 -7.321 -4.685 -6.181 1.00 0.59 H new ATOM 0 HA LEU A 87 -10.191 -3.990 -6.130 1.00 0.63 H new ATOM 0 HB2 LEU A 87 -7.937 -3.680 -8.096 1.00 0.89 H new ATOM 0 HB3 LEU A 87 -9.502 -4.103 -8.760 1.00 0.89 H new ATOM 0 HG LEU A 87 -10.456 -2.117 -7.544 1.00 0.87 H new ATOM 0 HD11 LEU A 87 -8.909 -0.276 -6.933 1.00 1.74 H new ATOM 0 HD12 LEU A 87 -8.686 -1.710 -5.903 1.00 1.74 H new ATOM 0 HD13 LEU A 87 -7.527 -1.362 -7.208 1.00 1.74 H new ATOM 0 HD21 LEU A 87 -9.595 -0.484 -9.256 1.00 1.81 H new ATOM 0 HD22 LEU A 87 -8.268 -1.609 -9.631 1.00 1.81 H new ATOM 0 HD23 LEU A 87 -9.951 -2.071 -9.978 1.00 1.81 H new ATOM 1374 N GLY A 88 -10.998 -6.153 -7.105 1.00 0.70 N ATOM 1375 CA GLY A 88 -11.497 -7.480 -7.485 1.00 0.81 C ATOM 1376 C GLY A 88 -11.324 -8.486 -6.353 1.00 0.79 C ATOM 1377 O GLY A 88 -10.870 -9.606 -6.585 1.00 0.95 O ATOM 0 H GLY A 88 -11.733 -5.469 -6.923 1.00 0.70 H new ATOM 0 HA2 GLY A 88 -12.551 -7.410 -7.754 1.00 0.81 H new ATOM 0 HA3 GLY A 88 -10.965 -7.831 -8.369 1.00 0.81 H new ATOM 1381 N LEU A 89 -11.626 -8.054 -5.124 1.00 0.71 N ATOM 1382 CA LEU A 89 -11.591 -8.879 -3.920 1.00 0.73 C ATOM 1383 C LEU A 89 -12.204 -10.273 -4.064 1.00 0.92 C ATOM 1384 O LEU A 89 -13.245 -10.495 -4.675 1.00 1.17 O ATOM 1385 CB LEU A 89 -12.068 -8.138 -2.656 1.00 0.81 C ATOM 1386 CG LEU A 89 -13.258 -7.157 -2.765 1.00 1.09 C ATOM 1387 CD1 LEU A 89 -14.547 -7.837 -3.247 1.00 1.87 C ATOM 1388 CD2 LEU A 89 -13.504 -6.518 -1.392 1.00 1.46 C ATOM 0 H LEU A 89 -11.909 -7.092 -4.938 1.00 0.71 H new ATOM 0 HA LEU A 89 -10.528 -9.074 -3.777 1.00 0.73 H new ATOM 0 HB2 LEU A 89 -12.330 -8.891 -1.913 1.00 0.81 H new ATOM 0 HB3 LEU A 89 -11.218 -7.581 -2.261 1.00 0.81 H new ATOM 0 HG LEU A 89 -12.995 -6.403 -3.508 1.00 1.09 H new ATOM 0 HD11 LEU A 89 -15.348 -7.100 -3.304 1.00 1.87 H new ATOM 0 HD12 LEU A 89 -14.382 -8.271 -4.233 1.00 1.87 H new ATOM 0 HD13 LEU A 89 -14.827 -8.624 -2.546 1.00 1.87 H new ATOM 0 HD21 LEU A 89 -14.342 -5.824 -1.459 1.00 1.46 H new ATOM 0 HD22 LEU A 89 -13.734 -7.296 -0.664 1.00 1.46 H new ATOM 0 HD23 LEU A 89 -12.611 -5.979 -1.076 1.00 1.46 H new ATOM 1400 N LYS A 90 -11.497 -11.218 -3.453 1.00 0.99 N ATOM 1401 CA LYS A 90 -11.764 -12.662 -3.542 1.00 1.17 C ATOM 1402 C LYS A 90 -12.501 -13.213 -2.305 1.00 1.32 C ATOM 1403 O LYS A 90 -12.988 -14.341 -2.299 1.00 1.49 O ATOM 1404 CB LYS A 90 -10.442 -13.367 -3.772 1.00 1.09 C ATOM 1405 CG LYS A 90 -9.839 -12.936 -5.120 1.00 1.11 C ATOM 1406 CD LYS A 90 -8.484 -13.602 -5.217 1.00 2.56 C ATOM 1407 CE LYS A 90 -7.744 -13.221 -6.504 1.00 2.58 C ATOM 1408 NZ LYS A 90 -6.293 -13.501 -6.412 1.00 4.59 N ATOM 0 H LYS A 90 -10.695 -11.000 -2.862 1.00 0.99 H new ATOM 0 HA LYS A 90 -12.440 -12.849 -4.377 1.00 1.17 H new ATOM 0 HB2 LYS A 90 -9.750 -13.131 -2.964 1.00 1.09 H new ATOM 0 HB3 LYS A 90 -10.590 -14.447 -3.760 1.00 1.09 H new ATOM 0 HG2 LYS A 90 -10.481 -13.240 -5.947 1.00 1.11 H new ATOM 0 HG3 LYS A 90 -9.743 -11.852 -5.173 1.00 1.11 H new ATOM 0 HD2 LYS A 90 -7.880 -13.320 -4.355 1.00 2.56 H new ATOM 0 HD3 LYS A 90 -8.609 -14.684 -5.178 1.00 2.56 H new ATOM 0 HE2 LYS A 90 -8.167 -13.773 -7.343 1.00 2.58 H new ATOM 0 HE3 LYS A 90 -7.897 -12.162 -6.710 1.00 2.58 H new ATOM 0 HZ1 LYS A 90 -5.953 -13.872 -7.322 1.00 4.59 H new ATOM 0 HZ2 LYS A 90 -5.784 -12.623 -6.183 1.00 4.59 H new ATOM 0 HZ3 LYS A 90 -6.122 -14.205 -5.666 1.00 4.59 H new ATOM 1422 N ARG A 91 -12.558 -12.405 -1.241 1.00 1.30 N ATOM 1423 CA ARG A 91 -13.308 -12.595 0.007 1.00 1.43 C ATOM 1424 C ARG A 91 -13.820 -11.221 0.474 1.00 1.28 C ATOM 1425 O ARG A 91 -13.130 -10.238 0.211 1.00 1.23 O ATOM 1426 CB ARG A 91 -12.394 -13.145 1.115 1.00 1.62 C ATOM 1427 CG ARG A 91 -11.867 -14.565 0.862 1.00 2.46 C ATOM 1428 CD ARG A 91 -10.909 -14.966 1.988 1.00 2.67 C ATOM 1429 NE ARG A 91 -10.528 -16.386 1.894 1.00 3.78 N ATOM 1430 CZ ARG A 91 -9.408 -16.945 2.345 1.00 4.61 C ATOM 1431 NH1 ARG A 91 -8.410 -16.229 2.827 1.00 4.96 N ATOM 1432 NH2 ARG A 91 -9.287 -18.260 2.322 1.00 5.71 N ATOM 0 H ARG A 91 -12.038 -11.528 -1.229 1.00 1.30 H new ATOM 0 HA ARG A 91 -14.122 -13.296 -0.176 1.00 1.43 H new ATOM 0 HB2 ARG A 91 -11.545 -12.472 1.235 1.00 1.62 H new ATOM 0 HB3 ARG A 91 -12.942 -13.137 2.057 1.00 1.62 H new ATOM 0 HG2 ARG A 91 -12.698 -15.268 0.810 1.00 2.46 H new ATOM 0 HG3 ARG A 91 -11.353 -14.607 -0.098 1.00 2.46 H new ATOM 0 HD2 ARG A 91 -10.014 -14.345 1.944 1.00 2.67 H new ATOM 0 HD3 ARG A 91 -11.381 -14.778 2.952 1.00 2.67 H new ATOM 0 HE ARG A 91 -11.194 -17.007 1.434 1.00 3.78 H new ATOM 0 HH11 ARG A 91 -8.482 -15.212 2.863 1.00 4.96 H new ATOM 0 HH12 ARG A 91 -7.566 -16.692 3.164 1.00 4.96 H new ATOM 0 HH21 ARG A 91 -10.048 -18.836 1.961 1.00 5.71 H new ATOM 0 HH22 ARG A 91 -8.433 -18.700 2.665 1.00 5.71 H new ATOM 1446 N PRO A 92 -14.960 -11.132 1.185 1.00 1.34 N ATOM 1447 CA PRO A 92 -15.364 -9.911 1.872 1.00 1.36 C ATOM 1448 C PRO A 92 -14.478 -9.682 3.105 1.00 1.42 C ATOM 1449 O PRO A 92 -14.020 -10.638 3.733 1.00 1.80 O ATOM 1450 CB PRO A 92 -16.832 -10.130 2.247 1.00 1.58 C ATOM 1451 CG PRO A 92 -16.915 -11.643 2.455 1.00 1.71 C ATOM 1452 CD PRO A 92 -15.924 -12.196 1.429 1.00 1.55 C ATOM 0 HA PRO A 92 -15.252 -9.020 1.254 1.00 1.36 H new ATOM 0 HB2 PRO A 92 -17.103 -9.583 3.150 1.00 1.58 H new ATOM 0 HB3 PRO A 92 -17.504 -9.794 1.457 1.00 1.58 H new ATOM 0 HG2 PRO A 92 -16.640 -11.925 3.472 1.00 1.71 H new ATOM 0 HG3 PRO A 92 -17.924 -12.018 2.282 1.00 1.71 H new ATOM 0 HD2 PRO A 92 -15.430 -13.091 1.808 1.00 1.55 H new ATOM 0 HD3 PRO A 92 -16.434 -12.479 0.508 1.00 1.55 H new ATOM 1460 N LEU A 93 -14.287 -8.412 3.469 1.00 1.30 N ATOM 1461 CA LEU A 93 -13.563 -7.935 4.631 1.00 1.33 C ATOM 1462 C LEU A 93 -14.611 -7.385 5.596 1.00 1.56 C ATOM 1463 O LEU A 93 -15.627 -6.814 5.207 1.00 2.28 O ATOM 1464 CB LEU A 93 -12.570 -6.818 4.243 1.00 1.45 C ATOM 1465 CG LEU A 93 -11.252 -7.283 3.583 1.00 1.50 C ATOM 1466 CD1 LEU A 93 -11.443 -7.790 2.144 1.00 2.62 C ATOM 1467 CD2 LEU A 93 -10.259 -6.109 3.560 1.00 2.00 C ATOM 0 H LEU A 93 -14.664 -7.643 2.915 1.00 1.30 H new ATOM 0 HA LEU A 93 -12.983 -8.741 5.081 1.00 1.33 H new ATOM 0 HB2 LEU A 93 -13.073 -6.133 3.561 1.00 1.45 H new ATOM 0 HB3 LEU A 93 -12.323 -6.250 5.140 1.00 1.45 H new ATOM 0 HG LEU A 93 -10.876 -8.116 4.177 1.00 1.50 H new ATOM 0 HD11 LEU A 93 -10.481 -8.101 1.737 1.00 2.62 H new ATOM 0 HD12 LEU A 93 -12.128 -8.638 2.145 1.00 2.62 H new ATOM 0 HD13 LEU A 93 -11.856 -6.991 1.528 1.00 2.62 H new ATOM 0 HD21 LEU A 93 -9.327 -6.430 3.096 1.00 2.00 H new ATOM 0 HD22 LEU A 93 -10.684 -5.284 2.988 1.00 2.00 H new ATOM 0 HD23 LEU A 93 -10.062 -5.779 4.580 1.00 2.00 H new ATOM 1479 N LYS A 94 -14.356 -7.593 6.874 1.00 1.22 N ATOM 1480 CA LYS A 94 -15.065 -7.031 8.028 1.00 1.36 C ATOM 1481 C LYS A 94 -14.160 -6.034 8.783 1.00 1.29 C ATOM 1482 O LYS A 94 -12.936 -6.067 8.682 1.00 1.52 O ATOM 1483 CB LYS A 94 -15.474 -8.161 9.002 1.00 1.50 C ATOM 1484 CG LYS A 94 -16.478 -9.266 8.606 1.00 1.94 C ATOM 1485 CD LYS A 94 -17.023 -9.333 7.169 1.00 2.95 C ATOM 1486 CE LYS A 94 -16.413 -10.423 6.266 1.00 3.90 C ATOM 1487 NZ LYS A 94 -14.951 -10.621 6.426 1.00 4.03 N ATOM 0 H LYS A 94 -13.592 -8.204 7.163 1.00 1.22 H new ATOM 0 HA LYS A 94 -15.953 -6.515 7.662 1.00 1.36 H new ATOM 0 HB2 LYS A 94 -14.555 -8.665 9.301 1.00 1.50 H new ATOM 0 HB3 LYS A 94 -15.876 -7.677 9.892 1.00 1.50 H new ATOM 0 HG2 LYS A 94 -16.005 -10.225 8.818 1.00 1.94 H new ATOM 0 HG3 LYS A 94 -17.335 -9.179 9.274 1.00 1.94 H new ATOM 0 HD2 LYS A 94 -18.101 -9.490 7.217 1.00 2.95 H new ATOM 0 HD3 LYS A 94 -16.863 -8.365 6.695 1.00 2.95 H new ATOM 0 HE2 LYS A 94 -16.917 -11.368 6.470 1.00 3.90 H new ATOM 0 HE3 LYS A 94 -16.619 -10.170 5.226 1.00 3.90 H new ATOM 0 HZ1 LYS A 94 -14.517 -10.776 5.493 1.00 4.03 H new ATOM 0 HZ2 LYS A 94 -14.533 -9.777 6.867 1.00 4.03 H new ATOM 0 HZ3 LYS A 94 -14.777 -11.449 7.030 1.00 4.03 H new ATOM 1501 N ALA A 95 -14.765 -5.191 9.616 1.00 1.48 N ATOM 1502 CA ALA A 95 -14.056 -4.555 10.717 1.00 1.61 C ATOM 1503 C ALA A 95 -13.648 -5.626 11.740 1.00 1.51 C ATOM 1504 O ALA A 95 -14.496 -6.375 12.219 1.00 1.53 O ATOM 1505 CB ALA A 95 -14.975 -3.507 11.355 1.00 1.94 C ATOM 0 H ALA A 95 -15.749 -4.933 9.547 1.00 1.48 H new ATOM 0 HA ALA A 95 -13.153 -4.060 10.359 1.00 1.61 H new ATOM 0 HB1 ALA A 95 -14.456 -3.023 12.182 1.00 1.94 H new ATOM 0 HB2 ALA A 95 -15.247 -2.760 10.610 1.00 1.94 H new ATOM 0 HB3 ALA A 95 -15.877 -3.993 11.728 1.00 1.94 H new ATOM 1511 N GLY A 96 -12.357 -5.669 12.061 1.00 1.49 N ATOM 1512 CA GLY A 96 -11.780 -6.517 13.118 1.00 1.56 C ATOM 1513 C GLY A 96 -11.181 -7.841 12.632 1.00 1.41 C ATOM 1514 O GLY A 96 -11.220 -8.820 13.370 1.00 1.71 O ATOM 0 H GLY A 96 -11.658 -5.101 11.583 1.00 1.49 H new ATOM 0 HA2 GLY A 96 -11.003 -5.952 13.633 1.00 1.56 H new ATOM 0 HA3 GLY A 96 -12.556 -6.734 13.852 1.00 1.56 H new ATOM 1518 N GLU A 97 -10.635 -7.862 11.415 1.00 1.17 N ATOM 1519 CA GLU A 97 -9.941 -9.025 10.831 1.00 1.18 C ATOM 1520 C GLU A 97 -8.433 -8.790 10.651 1.00 1.12 C ATOM 1521 O GLU A 97 -7.887 -7.794 11.121 1.00 1.10 O ATOM 1522 CB GLU A 97 -10.593 -9.364 9.483 1.00 1.14 C ATOM 1523 CG GLU A 97 -12.000 -9.909 9.719 1.00 1.36 C ATOM 1524 CD GLU A 97 -12.676 -10.376 8.438 1.00 1.13 C ATOM 1525 OE1 GLU A 97 -12.598 -9.669 7.410 1.00 1.99 O ATOM 1526 OE2 GLU A 97 -13.414 -11.386 8.463 1.00 2.12 O ATOM 0 H GLU A 97 -10.660 -7.057 10.790 1.00 1.17 H new ATOM 0 HA GLU A 97 -10.041 -9.860 11.525 1.00 1.18 H new ATOM 0 HB2 GLU A 97 -10.637 -8.474 8.855 1.00 1.14 H new ATOM 0 HB3 GLU A 97 -9.991 -10.101 8.951 1.00 1.14 H new ATOM 0 HG2 GLU A 97 -11.949 -10.741 10.421 1.00 1.36 H new ATOM 0 HG3 GLU A 97 -12.610 -9.136 10.185 1.00 1.36 H new ATOM 1533 N GLU A 98 -7.771 -9.672 9.903 1.00 1.12 N ATOM 1534 CA GLU A 98 -6.400 -9.611 9.458 1.00 1.11 C ATOM 1535 C GLU A 98 -6.339 -10.283 8.081 1.00 1.07 C ATOM 1536 O GLU A 98 -7.138 -11.154 7.748 1.00 1.30 O ATOM 1537 CB GLU A 98 -5.434 -10.241 10.476 1.00 1.39 C ATOM 1538 CG GLU A 98 -5.818 -11.665 10.893 1.00 1.74 C ATOM 1539 CD GLU A 98 -4.725 -12.276 11.761 1.00 2.36 C ATOM 1540 OE1 GLU A 98 -4.599 -11.837 12.925 1.00 3.13 O ATOM 1541 OE2 GLU A 98 -4.003 -13.143 11.229 1.00 2.99 O ATOM 0 H GLU A 98 -8.232 -10.519 9.569 1.00 1.12 H new ATOM 0 HA GLU A 98 -6.071 -8.575 9.374 1.00 1.11 H new ATOM 0 HB2 GLU A 98 -4.431 -10.255 10.050 1.00 1.39 H new ATOM 0 HB3 GLU A 98 -5.395 -9.610 11.364 1.00 1.39 H new ATOM 0 HG2 GLU A 98 -6.760 -11.649 11.441 1.00 1.74 H new ATOM 0 HG3 GLU A 98 -5.975 -12.281 10.007 1.00 1.74 H new ATOM 1548 N VAL A 99 -5.431 -9.776 7.266 1.00 0.90 N ATOM 1549 CA VAL A 99 -5.311 -9.975 5.816 1.00 0.91 C ATOM 1550 C VAL A 99 -3.824 -9.968 5.441 1.00 0.85 C ATOM 1551 O VAL A 99 -3.105 -9.025 5.765 1.00 0.89 O ATOM 1552 CB VAL A 99 -6.084 -8.856 5.064 1.00 0.99 C ATOM 1553 CG1 VAL A 99 -5.664 -8.720 3.588 1.00 1.16 C ATOM 1554 CG2 VAL A 99 -7.605 -9.105 5.123 1.00 1.01 C ATOM 0 H VAL A 99 -4.696 -9.164 7.621 1.00 0.90 H new ATOM 0 HA VAL A 99 -5.746 -10.932 5.528 1.00 0.91 H new ATOM 0 HB VAL A 99 -5.831 -7.927 5.575 1.00 0.99 H new ATOM 0 HG11 VAL A 99 -6.239 -7.922 3.118 1.00 1.16 H new ATOM 0 HG12 VAL A 99 -4.602 -8.482 3.532 1.00 1.16 H new ATOM 0 HG13 VAL A 99 -5.853 -9.659 3.068 1.00 1.16 H new ATOM 0 HG21 VAL A 99 -8.125 -8.309 4.590 1.00 1.01 H new ATOM 0 HG22 VAL A 99 -7.835 -10.064 4.658 1.00 1.01 H new ATOM 0 HG23 VAL A 99 -7.931 -9.119 6.163 1.00 1.01 H new ATOM 1564 N GLU A 100 -3.360 -11.008 4.743 1.00 0.88 N ATOM 1565 CA GLU A 100 -1.980 -11.076 4.258 1.00 0.90 C ATOM 1566 C GLU A 100 -1.786 -10.476 2.851 1.00 0.77 C ATOM 1567 O GLU A 100 -2.703 -10.409 2.018 1.00 0.80 O ATOM 1568 CB GLU A 100 -1.402 -12.498 4.376 1.00 1.29 C ATOM 1569 CG GLU A 100 -2.111 -13.559 3.523 1.00 1.54 C ATOM 1570 CD GLU A 100 -1.089 -14.437 2.808 1.00 1.49 C ATOM 1571 OE1 GLU A 100 -0.416 -15.257 3.467 1.00 2.09 O ATOM 1572 OE2 GLU A 100 -0.888 -14.249 1.592 1.00 2.48 O ATOM 0 H GLU A 100 -3.926 -11.821 4.500 1.00 0.88 H new ATOM 0 HA GLU A 100 -1.400 -10.434 4.921 1.00 0.90 H new ATOM 0 HB2 GLU A 100 -0.349 -12.471 4.094 1.00 1.29 H new ATOM 0 HB3 GLU A 100 -1.444 -12.806 5.421 1.00 1.29 H new ATOM 0 HG2 GLU A 100 -2.750 -14.175 4.155 1.00 1.54 H new ATOM 0 HG3 GLU A 100 -2.758 -13.074 2.792 1.00 1.54 H new ATOM 1579 N LEU A 101 -0.547 -10.038 2.612 1.00 0.78 N ATOM 1580 CA LEU A 101 -0.054 -9.501 1.350 1.00 0.78 C ATOM 1581 C LEU A 101 1.467 -9.648 1.279 1.00 0.76 C ATOM 1582 O LEU A 101 2.162 -9.494 2.283 1.00 1.01 O ATOM 1583 CB LEU A 101 -0.574 -8.054 1.182 1.00 1.13 C ATOM 1584 CG LEU A 101 -0.003 -7.172 0.052 1.00 1.32 C ATOM 1585 CD1 LEU A 101 -1.053 -6.114 -0.339 1.00 2.13 C ATOM 1586 CD2 LEU A 101 1.276 -6.447 0.487 1.00 2.39 C ATOM 0 H LEU A 101 0.173 -10.051 3.334 1.00 0.78 H new ATOM 0 HA LEU A 101 -0.437 -10.065 0.499 1.00 0.78 H new ATOM 0 HB2 LEU A 101 -1.654 -8.108 1.041 1.00 1.13 H new ATOM 0 HB3 LEU A 101 -0.401 -7.533 2.123 1.00 1.13 H new ATOM 0 HG LEU A 101 0.237 -7.821 -0.790 1.00 1.32 H new ATOM 0 HD11 LEU A 101 -0.657 -5.486 -1.137 1.00 2.13 H new ATOM 0 HD12 LEU A 101 -1.960 -6.611 -0.684 1.00 2.13 H new ATOM 0 HD13 LEU A 101 -1.286 -5.495 0.527 1.00 2.13 H new ATOM 0 HD21 LEU A 101 1.646 -5.837 -0.337 1.00 2.39 H new ATOM 0 HD22 LEU A 101 1.059 -5.808 1.343 1.00 2.39 H new ATOM 0 HD23 LEU A 101 2.033 -7.180 0.764 1.00 2.39 H new ATOM 1598 N ASP A 102 1.975 -9.905 0.079 1.00 0.82 N ATOM 1599 CA ASP A 102 3.391 -9.898 -0.264 1.00 1.15 C ATOM 1600 C ASP A 102 3.733 -8.669 -1.107 1.00 0.88 C ATOM 1601 O ASP A 102 2.979 -8.275 -1.999 1.00 0.82 O ATOM 1602 CB ASP A 102 3.771 -11.170 -1.030 1.00 1.78 C ATOM 1603 CG ASP A 102 3.876 -12.398 -0.129 1.00 2.54 C ATOM 1604 OD1 ASP A 102 2.823 -12.861 0.361 1.00 2.99 O ATOM 1605 OD2 ASP A 102 5.008 -12.883 0.077 1.00 3.35 O ATOM 0 H ASP A 102 1.382 -10.135 -0.718 1.00 0.82 H new ATOM 0 HA ASP A 102 3.961 -9.863 0.665 1.00 1.15 H new ATOM 0 HB2 ASP A 102 3.028 -11.357 -1.805 1.00 1.78 H new ATOM 0 HB3 ASP A 102 4.725 -11.013 -1.534 1.00 1.78 H new ATOM 1610 N LEU A 103 4.900 -8.088 -0.838 1.00 1.03 N ATOM 1611 CA LEU A 103 5.480 -6.971 -1.580 1.00 0.83 C ATOM 1612 C LEU A 103 6.245 -7.502 -2.794 1.00 0.79 C ATOM 1613 O LEU A 103 7.144 -8.324 -2.629 1.00 0.88 O ATOM 1614 CB LEU A 103 6.467 -6.210 -0.672 1.00 0.77 C ATOM 1615 CG LEU A 103 5.843 -5.258 0.361 1.00 0.97 C ATOM 1616 CD1 LEU A 103 5.138 -6.002 1.502 1.00 1.18 C ATOM 1617 CD2 LEU A 103 6.957 -4.392 0.964 1.00 1.12 C ATOM 0 H LEU A 103 5.491 -8.395 -0.066 1.00 1.03 H new ATOM 0 HA LEU A 103 4.680 -6.306 -1.906 1.00 0.83 H new ATOM 0 HB2 LEU A 103 7.076 -6.941 -0.140 1.00 0.77 H new ATOM 0 HB3 LEU A 103 7.141 -5.634 -1.306 1.00 0.77 H new ATOM 0 HG LEU A 103 5.095 -4.657 -0.156 1.00 0.97 H new ATOM 0 HD11 LEU A 103 4.716 -5.280 2.201 1.00 1.18 H new ATOM 0 HD12 LEU A 103 4.339 -6.621 1.094 1.00 1.18 H new ATOM 0 HD13 LEU A 103 5.857 -6.634 2.023 1.00 1.18 H new ATOM 0 HD21 LEU A 103 6.530 -3.710 1.700 1.00 1.12 H new ATOM 0 HD22 LEU A 103 7.694 -5.033 1.448 1.00 1.12 H new ATOM 0 HD23 LEU A 103 7.439 -3.817 0.173 1.00 1.12 H new ATOM 1629 N LEU A 104 5.957 -6.983 -3.992 1.00 0.75 N ATOM 1630 CA LEU A 104 6.769 -7.223 -5.183 1.00 0.77 C ATOM 1631 C LEU A 104 7.834 -6.125 -5.281 1.00 0.84 C ATOM 1632 O LEU A 104 7.553 -4.975 -5.639 1.00 0.74 O ATOM 1633 CB LEU A 104 5.873 -7.281 -6.437 1.00 0.71 C ATOM 1634 CG LEU A 104 4.821 -8.410 -6.453 1.00 0.68 C ATOM 1635 CD1 LEU A 104 4.057 -8.382 -7.784 1.00 0.68 C ATOM 1636 CD2 LEU A 104 5.443 -9.800 -6.252 1.00 0.73 C ATOM 0 H LEU A 104 5.150 -6.382 -4.160 1.00 0.75 H new ATOM 0 HA LEU A 104 7.274 -8.186 -5.112 1.00 0.77 H new ATOM 0 HB2 LEU A 104 5.357 -6.326 -6.537 1.00 0.71 H new ATOM 0 HB3 LEU A 104 6.512 -7.391 -7.313 1.00 0.71 H new ATOM 0 HG LEU A 104 4.144 -8.232 -5.618 1.00 0.68 H new ATOM 0 HD11 LEU A 104 3.314 -9.180 -7.794 1.00 0.68 H new ATOM 0 HD12 LEU A 104 3.557 -7.420 -7.897 1.00 0.68 H new ATOM 0 HD13 LEU A 104 4.756 -8.527 -8.608 1.00 0.68 H new ATOM 0 HD21 LEU A 104 4.658 -10.556 -6.272 1.00 0.73 H new ATOM 0 HD22 LEU A 104 6.158 -9.998 -7.051 1.00 0.73 H new ATOM 0 HD23 LEU A 104 5.955 -9.834 -5.290 1.00 0.73 H new ATOM 1648 N PHE A 105 9.072 -6.488 -4.949 1.00 1.07 N ATOM 1649 CA PHE A 105 10.246 -5.644 -5.121 1.00 1.02 C ATOM 1650 C PHE A 105 10.996 -5.996 -6.417 1.00 1.06 C ATOM 1651 O PHE A 105 11.020 -7.145 -6.860 1.00 1.23 O ATOM 1652 CB PHE A 105 11.173 -5.775 -3.910 1.00 1.10 C ATOM 1653 CG PHE A 105 10.668 -5.226 -2.592 1.00 1.12 C ATOM 1654 CD1 PHE A 105 10.871 -3.869 -2.269 1.00 2.22 C ATOM 1655 CD2 PHE A 105 10.151 -6.102 -1.622 1.00 1.98 C ATOM 1656 CE1 PHE A 105 10.633 -3.408 -0.965 1.00 2.35 C ATOM 1657 CE2 PHE A 105 9.895 -5.637 -0.321 1.00 1.94 C ATOM 1658 CZ PHE A 105 10.158 -4.297 0.012 1.00 1.32 C ATOM 0 H PHE A 105 9.288 -7.399 -4.544 1.00 1.07 H new ATOM 0 HA PHE A 105 9.914 -4.609 -5.198 1.00 1.02 H new ATOM 0 HB2 PHE A 105 11.401 -6.832 -3.771 1.00 1.10 H new ATOM 0 HB3 PHE A 105 12.112 -5.275 -4.147 1.00 1.10 H new ATOM 0 HD1 PHE A 105 11.211 -3.181 -3.029 1.00 2.22 H new ATOM 0 HD2 PHE A 105 9.951 -7.132 -1.877 1.00 1.98 H new ATOM 0 HE1 PHE A 105 10.815 -2.373 -0.714 1.00 2.35 H new ATOM 0 HE2 PHE A 105 9.496 -6.310 0.424 1.00 1.94 H new ATOM 0 HZ PHE A 105 9.994 -3.951 1.022 1.00 1.32 H new ATOM 1668 N ALA A 106 11.645 -4.997 -7.023 1.00 1.02 N ATOM 1669 CA ALA A 106 12.313 -5.129 -8.320 1.00 1.04 C ATOM 1670 C ALA A 106 13.342 -6.284 -8.370 1.00 1.51 C ATOM 1671 O ALA A 106 14.237 -6.395 -7.524 1.00 2.17 O ATOM 1672 CB ALA A 106 12.945 -3.780 -8.683 1.00 1.14 C ATOM 0 H ALA A 106 11.722 -4.063 -6.621 1.00 1.02 H new ATOM 0 HA ALA A 106 11.563 -5.399 -9.064 1.00 1.04 H new ATOM 0 HB1 ALA A 106 13.447 -3.861 -9.647 1.00 1.14 H new ATOM 0 HB2 ALA A 106 12.168 -3.018 -8.742 1.00 1.14 H new ATOM 0 HB3 ALA A 106 13.670 -3.501 -7.919 1.00 1.14 H new ATOM 1678 N GLY A 107 13.224 -7.140 -9.396 1.00 1.80 N ATOM 1679 CA GLY A 107 14.168 -8.228 -9.690 1.00 2.46 C ATOM 1680 C GLY A 107 14.033 -9.425 -8.748 1.00 2.29 C ATOM 1681 O GLY A 107 14.984 -9.739 -8.032 1.00 3.15 O ATOM 0 H GLY A 107 12.451 -7.094 -10.060 1.00 1.80 H new ATOM 0 HA2 GLY A 107 14.015 -8.564 -10.716 1.00 2.46 H new ATOM 0 HA3 GLY A 107 15.185 -7.842 -9.630 1.00 2.46 H new ATOM 1685 N GLY A 108 12.867 -10.081 -8.746 1.00 1.76 N ATOM 1686 CA GLY A 108 12.660 -11.391 -8.103 1.00 2.04 C ATOM 1687 C GLY A 108 12.586 -11.376 -6.574 1.00 1.94 C ATOM 1688 O GLY A 108 12.687 -12.428 -5.951 1.00 2.42 O ATOM 0 H GLY A 108 12.028 -9.715 -9.196 1.00 1.76 H new ATOM 0 HA2 GLY A 108 11.736 -11.823 -8.489 1.00 2.04 H new ATOM 0 HA3 GLY A 108 13.471 -12.054 -8.403 1.00 2.04 H new ATOM 1692 N LYS A 109 12.442 -10.206 -5.949 1.00 1.49 N ATOM 1693 CA LYS A 109 12.376 -10.078 -4.488 1.00 1.53 C ATOM 1694 C LYS A 109 10.920 -10.003 -4.020 1.00 1.46 C ATOM 1695 O LYS A 109 10.197 -9.100 -4.431 1.00 1.36 O ATOM 1696 CB LYS A 109 13.173 -8.839 -4.065 1.00 1.40 C ATOM 1697 CG LYS A 109 14.667 -9.149 -4.124 1.00 1.61 C ATOM 1698 CD LYS A 109 15.514 -7.865 -4.083 1.00 1.96 C ATOM 1699 CE LYS A 109 16.742 -7.955 -4.998 1.00 2.50 C ATOM 1700 NZ LYS A 109 16.358 -7.913 -6.432 1.00 3.08 N ATOM 0 H LYS A 109 12.367 -9.316 -6.442 1.00 1.49 H new ATOM 0 HA LYS A 109 12.816 -10.956 -4.016 1.00 1.53 H new ATOM 0 HB2 LYS A 109 12.939 -8.001 -4.722 1.00 1.40 H new ATOM 0 HB3 LYS A 109 12.892 -8.541 -3.055 1.00 1.40 H new ATOM 0 HG2 LYS A 109 14.939 -9.792 -3.287 1.00 1.61 H new ATOM 0 HG3 LYS A 109 14.889 -9.703 -5.036 1.00 1.61 H new ATOM 0 HD2 LYS A 109 14.900 -7.016 -4.384 1.00 1.96 H new ATOM 0 HD3 LYS A 109 15.838 -7.677 -3.059 1.00 1.96 H new ATOM 0 HE2 LYS A 109 17.422 -7.132 -4.778 1.00 2.50 H new ATOM 0 HE3 LYS A 109 17.283 -8.879 -4.792 1.00 2.50 H new ATOM 0 HZ1 LYS A 109 17.190 -7.670 -7.007 1.00 3.08 H new ATOM 0 HZ2 LYS A 109 15.996 -8.844 -6.722 1.00 3.08 H new ATOM 0 HZ3 LYS A 109 15.619 -7.195 -6.573 1.00 3.08 H new ATOM 1714 N VAL A 110 10.522 -10.928 -3.150 1.00 1.53 N ATOM 1715 CA VAL A 110 9.143 -11.057 -2.655 1.00 1.36 C ATOM 1716 C VAL A 110 9.151 -11.317 -1.145 1.00 1.39 C ATOM 1717 O VAL A 110 9.892 -12.188 -0.685 1.00 1.50 O ATOM 1718 CB VAL A 110 8.362 -12.169 -3.402 1.00 1.31 C ATOM 1719 CG1 VAL A 110 6.883 -12.188 -2.988 1.00 2.14 C ATOM 1720 CG2 VAL A 110 8.428 -12.000 -4.933 1.00 1.69 C ATOM 0 H VAL A 110 11.156 -11.624 -2.759 1.00 1.53 H new ATOM 0 HA VAL A 110 8.627 -10.117 -2.852 1.00 1.36 H new ATOM 0 HB VAL A 110 8.842 -13.107 -3.123 1.00 1.31 H new ATOM 0 HG11 VAL A 110 6.364 -12.979 -3.530 1.00 2.14 H new ATOM 0 HG12 VAL A 110 6.807 -12.372 -1.916 1.00 2.14 H new ATOM 0 HG13 VAL A 110 6.427 -11.227 -3.224 1.00 2.14 H new ATOM 0 HG21 VAL A 110 7.867 -12.802 -5.412 1.00 1.69 H new ATOM 0 HG22 VAL A 110 7.997 -11.039 -5.212 1.00 1.69 H new ATOM 0 HG23 VAL A 110 9.467 -12.040 -5.259 1.00 1.69 H new ATOM 1730 N LEU A 111 8.378 -10.530 -0.382 1.00 1.35 N ATOM 1731 CA LEU A 111 8.325 -10.584 1.086 1.00 1.39 C ATOM 1732 C LEU A 111 6.891 -10.406 1.613 1.00 1.41 C ATOM 1733 O LEU A 111 6.239 -9.407 1.314 1.00 1.67 O ATOM 1734 CB LEU A 111 9.225 -9.497 1.719 1.00 1.49 C ATOM 1735 CG LEU A 111 10.747 -9.737 1.610 1.00 1.52 C ATOM 1736 CD1 LEU A 111 11.366 -9.102 0.355 1.00 2.98 C ATOM 1737 CD2 LEU A 111 11.459 -9.142 2.834 1.00 2.22 C ATOM 0 H LEU A 111 7.759 -9.823 -0.778 1.00 1.35 H new ATOM 0 HA LEU A 111 8.688 -11.571 1.371 1.00 1.39 H new ATOM 0 HB2 LEU A 111 8.993 -8.541 1.250 1.00 1.49 H new ATOM 0 HB3 LEU A 111 8.965 -9.406 2.774 1.00 1.49 H new ATOM 0 HG LEU A 111 10.881 -10.817 1.553 1.00 1.52 H new ATOM 0 HD11 LEU A 111 12.437 -9.305 0.335 1.00 2.98 H new ATOM 0 HD12 LEU A 111 10.900 -9.525 -0.535 1.00 2.98 H new ATOM 0 HD13 LEU A 111 11.201 -8.025 0.373 1.00 2.98 H new ATOM 0 HD21 LEU A 111 12.532 -9.315 2.750 1.00 2.22 H new ATOM 0 HD22 LEU A 111 11.267 -8.070 2.881 1.00 2.22 H new ATOM 0 HD23 LEU A 111 11.084 -9.618 3.740 1.00 2.22 H new ATOM 1749 N LYS A 112 6.445 -11.336 2.464 1.00 1.34 N ATOM 1750 CA LYS A 112 5.099 -11.363 3.063 1.00 1.38 C ATOM 1751 C LYS A 112 4.957 -10.471 4.313 1.00 1.37 C ATOM 1752 O LYS A 112 5.821 -10.485 5.190 1.00 1.68 O ATOM 1753 CB LYS A 112 4.731 -12.826 3.395 1.00 1.88 C ATOM 1754 CG LYS A 112 3.252 -12.985 3.798 1.00 2.31 C ATOM 1755 CD LYS A 112 2.847 -14.452 4.017 1.00 2.74 C ATOM 1756 CE LYS A 112 2.855 -15.312 2.743 1.00 1.65 C ATOM 1757 NZ LYS A 112 1.808 -14.902 1.783 1.00 1.86 N ATOM 0 H LYS A 112 7.027 -12.117 2.767 1.00 1.34 H new ATOM 0 HA LYS A 112 4.408 -10.948 2.329 1.00 1.38 H new ATOM 0 HB2 LYS A 112 4.938 -13.455 2.529 1.00 1.88 H new ATOM 0 HB3 LYS A 112 5.366 -13.182 4.207 1.00 1.88 H new ATOM 0 HG2 LYS A 112 3.067 -12.422 4.713 1.00 2.31 H new ATOM 0 HG3 LYS A 112 2.621 -12.551 3.023 1.00 2.31 H new ATOM 0 HD2 LYS A 112 3.524 -14.898 4.745 1.00 2.74 H new ATOM 0 HD3 LYS A 112 1.848 -14.479 4.452 1.00 2.74 H new ATOM 0 HE2 LYS A 112 3.832 -15.240 2.265 1.00 1.65 H new ATOM 0 HE3 LYS A 112 2.708 -16.358 3.012 1.00 1.65 H new ATOM 0 HZ1 LYS A 112 1.906 -15.453 0.906 1.00 1.86 H new ATOM 0 HZ2 LYS A 112 0.870 -15.075 2.198 1.00 1.86 H new ATOM 0 HZ3 LYS A 112 1.911 -13.889 1.569 1.00 1.86 H new ATOM 1771 N VAL A 113 3.815 -9.793 4.447 1.00 1.18 N ATOM 1772 CA VAL A 113 3.308 -9.166 5.682 1.00 1.28 C ATOM 1773 C VAL A 113 1.934 -9.749 6.040 1.00 1.08 C ATOM 1774 O VAL A 113 1.187 -10.155 5.150 1.00 1.04 O ATOM 1775 CB VAL A 113 3.155 -7.622 5.571 1.00 1.57 C ATOM 1776 CG1 VAL A 113 3.641 -6.965 6.873 1.00 2.42 C ATOM 1777 CG2 VAL A 113 3.877 -6.978 4.380 1.00 1.94 C ATOM 0 H VAL A 113 3.182 -9.656 3.659 1.00 1.18 H new ATOM 0 HA VAL A 113 4.049 -9.380 6.452 1.00 1.28 H new ATOM 0 HB VAL A 113 2.093 -7.447 5.400 1.00 1.57 H new ATOM 0 HG11 VAL A 113 3.534 -5.883 6.796 1.00 2.42 H new ATOM 0 HG12 VAL A 113 3.045 -7.330 7.709 1.00 2.42 H new ATOM 0 HG13 VAL A 113 4.689 -7.215 7.038 1.00 2.42 H new ATOM 0 HG21 VAL A 113 3.709 -5.901 4.392 1.00 1.94 H new ATOM 0 HG22 VAL A 113 4.946 -7.179 4.450 1.00 1.94 H new ATOM 0 HG23 VAL A 113 3.490 -7.395 3.451 1.00 1.94 H new ATOM 1787 N VAL A 114 1.583 -9.720 7.329 1.00 1.13 N ATOM 1788 CA VAL A 114 0.202 -9.891 7.816 1.00 1.10 C ATOM 1789 C VAL A 114 -0.242 -8.553 8.405 1.00 1.06 C ATOM 1790 O VAL A 114 0.469 -7.967 9.217 1.00 1.30 O ATOM 1791 CB VAL A 114 0.073 -11.010 8.876 1.00 1.33 C ATOM 1792 CG1 VAL A 114 -1.389 -11.166 9.332 1.00 1.87 C ATOM 1793 CG2 VAL A 114 0.568 -12.354 8.310 1.00 1.45 C ATOM 0 H VAL A 114 2.258 -9.575 8.080 1.00 1.13 H new ATOM 0 HA VAL A 114 -0.432 -10.193 6.982 1.00 1.10 H new ATOM 0 HB VAL A 114 0.688 -10.727 9.730 1.00 1.33 H new ATOM 0 HG11 VAL A 114 -1.455 -11.959 10.077 1.00 1.87 H new ATOM 0 HG12 VAL A 114 -1.736 -10.229 9.767 1.00 1.87 H new ATOM 0 HG13 VAL A 114 -2.012 -11.421 8.475 1.00 1.87 H new ATOM 0 HG21 VAL A 114 0.469 -13.128 9.071 1.00 1.45 H new ATOM 0 HG22 VAL A 114 -0.029 -12.624 7.438 1.00 1.45 H new ATOM 0 HG23 VAL A 114 1.615 -12.263 8.019 1.00 1.45 H new ATOM 1803 N LEU A 115 -1.394 -8.051 7.956 1.00 0.87 N ATOM 1804 CA LEU A 115 -1.899 -6.708 8.243 1.00 0.88 C ATOM 1805 C LEU A 115 -3.323 -6.831 8.842 1.00 0.87 C ATOM 1806 O LEU A 115 -4.156 -7.500 8.224 1.00 0.95 O ATOM 1807 CB LEU A 115 -1.958 -5.942 6.900 1.00 1.03 C ATOM 1808 CG LEU A 115 -0.658 -5.865 6.070 1.00 0.90 C ATOM 1809 CD1 LEU A 115 -0.964 -5.210 4.712 1.00 1.81 C ATOM 1810 CD2 LEU A 115 0.439 -5.057 6.774 1.00 1.90 C ATOM 0 H LEU A 115 -2.024 -8.589 7.361 1.00 0.87 H new ATOM 0 HA LEU A 115 -1.259 -6.183 8.952 1.00 0.88 H new ATOM 0 HB2 LEU A 115 -2.726 -6.405 6.281 1.00 1.03 H new ATOM 0 HB3 LEU A 115 -2.287 -4.924 7.107 1.00 1.03 H new ATOM 0 HG LEU A 115 -0.291 -6.883 5.942 1.00 0.90 H new ATOM 0 HD11 LEU A 115 -0.050 -5.153 4.121 1.00 1.81 H new ATOM 0 HD12 LEU A 115 -1.704 -5.807 4.179 1.00 1.81 H new ATOM 0 HD13 LEU A 115 -1.356 -4.206 4.873 1.00 1.81 H new ATOM 0 HD21 LEU A 115 1.332 -5.033 6.149 1.00 1.90 H new ATOM 0 HD22 LEU A 115 0.088 -4.039 6.945 1.00 1.90 H new ATOM 0 HD23 LEU A 115 0.678 -5.523 7.730 1.00 1.90 H new ATOM 1822 N PRO A 116 -3.652 -6.200 9.985 1.00 0.80 N ATOM 1823 CA PRO A 116 -5.017 -6.155 10.510 1.00 0.82 C ATOM 1824 C PRO A 116 -5.935 -5.262 9.661 1.00 0.91 C ATOM 1825 O PRO A 116 -5.477 -4.304 9.028 1.00 1.04 O ATOM 1826 CB PRO A 116 -4.898 -5.647 11.950 1.00 0.81 C ATOM 1827 CG PRO A 116 -3.623 -4.809 11.918 1.00 0.75 C ATOM 1828 CD PRO A 116 -2.744 -5.559 10.921 1.00 0.74 C ATOM 0 HA PRO A 116 -5.479 -7.142 10.478 1.00 0.82 H new ATOM 0 HB2 PRO A 116 -5.764 -5.052 12.240 1.00 0.81 H new ATOM 0 HB3 PRO A 116 -4.822 -6.469 12.662 1.00 0.81 H new ATOM 0 HG2 PRO A 116 -3.820 -3.787 11.594 1.00 0.75 H new ATOM 0 HG3 PRO A 116 -3.156 -4.747 12.901 1.00 0.75 H new ATOM 0 HD2 PRO A 116 -2.070 -4.875 10.404 1.00 0.74 H new ATOM 0 HD3 PRO A 116 -2.122 -6.297 11.428 1.00 0.74 H new ATOM 1836 N VAL A 117 -7.238 -5.571 9.687 1.00 0.87 N ATOM 1837 CA VAL A 117 -8.310 -4.788 9.065 1.00 0.89 C ATOM 1838 C VAL A 117 -9.077 -4.004 10.141 1.00 0.97 C ATOM 1839 O VAL A 117 -9.807 -4.584 10.949 1.00 1.05 O ATOM 1840 CB VAL A 117 -9.300 -5.680 8.276 1.00 0.81 C ATOM 1841 CG1 VAL A 117 -10.259 -4.798 7.460 1.00 0.84 C ATOM 1842 CG2 VAL A 117 -8.601 -6.653 7.314 1.00 0.80 C ATOM 0 H VAL A 117 -7.586 -6.405 10.160 1.00 0.87 H new ATOM 0 HA VAL A 117 -7.843 -4.100 8.360 1.00 0.89 H new ATOM 0 HB VAL A 117 -9.838 -6.271 9.017 1.00 0.81 H new ATOM 0 HG11 VAL A 117 -10.953 -5.430 6.907 1.00 0.84 H new ATOM 0 HG12 VAL A 117 -10.818 -4.148 8.134 1.00 0.84 H new ATOM 0 HG13 VAL A 117 -9.687 -4.189 6.760 1.00 0.84 H new ATOM 0 HG21 VAL A 117 -9.349 -7.249 6.792 1.00 0.80 H new ATOM 0 HG22 VAL A 117 -8.015 -6.089 6.588 1.00 0.80 H new ATOM 0 HG23 VAL A 117 -7.942 -7.312 7.879 1.00 0.80 H new ATOM 1852 N GLU A 118 -8.940 -2.679 10.099 1.00 1.06 N ATOM 1853 CA GLU A 118 -9.859 -1.721 10.727 1.00 1.16 C ATOM 1854 C GLU A 118 -10.813 -1.140 9.669 1.00 1.29 C ATOM 1855 O GLU A 118 -10.730 -1.487 8.488 1.00 1.59 O ATOM 1856 CB GLU A 118 -9.090 -0.613 11.465 1.00 1.58 C ATOM 1857 CG GLU A 118 -8.049 0.084 10.580 1.00 2.78 C ATOM 1858 CD GLU A 118 -7.760 1.518 11.015 1.00 3.86 C ATOM 1859 OE1 GLU A 118 -7.773 1.774 12.236 1.00 4.23 O ATOM 1860 OE2 GLU A 118 -7.509 2.335 10.098 1.00 4.91 O ATOM 0 H GLU A 118 -8.165 -2.226 9.614 1.00 1.06 H new ATOM 0 HA GLU A 118 -10.454 -2.246 11.474 1.00 1.16 H new ATOM 0 HB2 GLU A 118 -9.798 0.128 11.836 1.00 1.58 H new ATOM 0 HB3 GLU A 118 -8.592 -1.041 12.335 1.00 1.58 H new ATOM 0 HG2 GLU A 118 -7.122 -0.489 10.599 1.00 2.78 H new ATOM 0 HG3 GLU A 118 -8.401 0.087 9.548 1.00 2.78 H new ATOM 1867 N ALA A 119 -11.739 -0.267 10.074 1.00 1.46 N ATOM 1868 CA ALA A 119 -12.822 0.224 9.227 1.00 1.83 C ATOM 1869 C ALA A 119 -13.191 1.673 9.545 1.00 2.53 C ATOM 1870 O ALA A 119 -12.949 2.150 10.649 1.00 2.85 O ATOM 1871 CB ALA A 119 -14.031 -0.703 9.430 1.00 2.55 C ATOM 0 H ALA A 119 -11.755 0.123 11.016 1.00 1.46 H new ATOM 0 HA ALA A 119 -12.498 0.214 8.186 1.00 1.83 H new ATOM 0 HB1 ALA A 119 -14.859 -0.362 8.809 1.00 2.55 H new ATOM 0 HB2 ALA A 119 -13.761 -1.721 9.148 1.00 2.55 H new ATOM 0 HB3 ALA A 119 -14.332 -0.685 10.478 1.00 2.55 H new ATOM 1877 N ARG A 120 -13.826 2.336 8.573 1.00 3.25 N ATOM 1878 CA ARG A 120 -14.359 3.701 8.643 1.00 4.14 C ATOM 1879 C ARG A 120 -15.303 3.967 7.484 1.00 5.21 C ATOM 1880 O ARG A 120 -15.164 3.279 6.444 1.00 5.67 O ATOM 1881 CB ARG A 120 -13.223 4.744 8.750 1.00 4.10 C ATOM 1882 CG ARG A 120 -12.128 4.720 7.659 1.00 4.33 C ATOM 1883 CD ARG A 120 -12.564 5.042 6.218 1.00 5.85 C ATOM 1884 NE ARG A 120 -13.350 6.289 6.133 1.00 6.86 N ATOM 1885 CZ ARG A 120 -14.537 6.457 5.570 1.00 8.20 C ATOM 1886 NH1 ARG A 120 -15.162 5.540 4.892 1.00 9.01 N ATOM 1887 NH2 ARG A 120 -15.141 7.604 5.688 1.00 9.20 N ATOM 1888 OXT ARG A 120 -16.045 4.963 7.556 1.00 5.96 O ATOM 0 H ARG A 120 -13.992 1.909 7.662 1.00 3.25 H new ATOM 0 HA ARG A 120 -14.946 3.800 9.556 1.00 4.14 H new ATOM 0 HB2 ARG A 120 -13.676 5.736 8.751 1.00 4.10 H new ATOM 0 HB3 ARG A 120 -12.737 4.615 9.717 1.00 4.10 H new ATOM 0 HG2 ARG A 120 -11.352 5.430 7.944 1.00 4.33 H new ATOM 0 HG3 ARG A 120 -11.671 3.730 7.661 1.00 4.33 H new ATOM 0 HD2 ARG A 120 -11.681 5.129 5.585 1.00 5.85 H new ATOM 0 HD3 ARG A 120 -13.157 4.215 5.827 1.00 5.85 H new ATOM 0 HE ARG A 120 -12.930 7.117 6.557 1.00 6.86 H new ATOM 0 HH11 ARG A 120 -14.738 4.621 4.767 1.00 9.01 H new ATOM 0 HH12 ARG A 120 -16.076 5.740 4.485 1.00 9.01 H new ATOM 0 HH21 ARG A 120 -14.700 8.361 6.210 1.00 9.20 H new ATOM 0 HH22 ARG A 120 -16.055 7.745 5.259 1.00 9.20 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.212 5.091 -3.935 1.00 0.62 CU