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 Single : A 1 GLY N :NH3+ -107:sc= 0.829 (180deg=-1.23!) USER MOD Single : A 2 SER OG : rot -59:sc= 1.24 USER MOD Single : A 4 THR OG1 : rot 64:sc= 0.131 USER MOD Single : A 11 SER OG : rot 177:sc= 1.11 USER MOD Single : A 15 ASN : amide:sc= 0.00705 K(o=0.0071,f=-1.5) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0177 USER MOD Single : A 21 THR OG1 : rot -76:sc= -0.431! USER MOD Single : A 24 ASN : amide:sc= -0.319 K(o=-0.32,f=-7.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 48 THR OG1 : rot 8:sc= 1.02 USER MOD Single : A 50 MET CE :methyl -178:sc= 0 (180deg=-0.0155) USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= 1.02 (180deg=-1.77!) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= 0.907 (180deg=0.476) USER MOD Single : A 59 MET CE :methyl -174:sc=-0.00605 (180deg=-0.109) USER MOD Single : A 61 MET CE :methyl -165:sc= -0.105 (180deg=-0.371) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.43 (180deg=-0.526!) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0.844 (180deg=0.786) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= 0.618 (180deg=-1.01!) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 0.771 (180deg=0.446) USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 1.48 (180deg=1.23) USER MOD Single : A 112 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.486 -6.945 9.851 1.00 11.94 N ATOM 2 CA GLY A 1 13.604 -8.095 10.099 1.00 11.99 C ATOM 3 C GLY A 1 12.216 -7.556 10.329 1.00 10.99 C ATOM 4 O GLY A 1 11.980 -6.995 11.388 1.00 10.42 O ATOM 0 H1 GLY A 1 14.741 -6.914 8.843 1.00 11.94 H new ATOM 0 H2 GLY A 1 13.993 -6.067 10.111 1.00 11.94 H new ATOM 0 H3 GLY A 1 15.349 -7.040 10.423 1.00 11.94 H new ATOM 0 HA2 GLY A 1 13.615 -8.778 9.249 1.00 11.99 H new ATOM 0 HA3 GLY A 1 13.945 -8.660 10.966 1.00 11.99 H new ATOM 10 N SER A 2 11.346 -7.636 9.327 1.00 11.01 N ATOM 11 CA SER A 2 10.336 -6.597 9.120 1.00 10.08 C ATOM 12 C SER A 2 9.133 -6.650 10.075 1.00 8.54 C ATOM 13 O SER A 2 8.668 -7.718 10.470 1.00 8.75 O ATOM 14 CB SER A 2 9.898 -6.627 7.646 1.00 11.16 C ATOM 15 OG SER A 2 11.000 -6.863 6.768 1.00 12.50 O ATOM 0 H SER A 2 11.317 -8.399 8.651 1.00 11.01 H new ATOM 0 HA SER A 2 10.807 -5.645 9.364 1.00 10.08 H new ATOM 0 HB2 SER A 2 9.149 -7.406 7.506 1.00 11.16 H new ATOM 0 HB3 SER A 2 9.425 -5.679 7.388 1.00 11.16 H new ATOM 0 HG SER A 2 11.672 -6.160 6.890 1.00 12.50 H new ATOM 21 N PHE A 3 8.627 -5.464 10.429 1.00 7.32 N ATOM 22 CA PHE A 3 7.655 -5.227 11.500 1.00 5.92 C ATOM 23 C PHE A 3 6.285 -4.811 10.937 1.00 5.12 C ATOM 24 O PHE A 3 6.184 -3.996 10.017 1.00 5.78 O ATOM 25 CB PHE A 3 8.238 -4.188 12.487 1.00 5.95 C ATOM 26 CG PHE A 3 9.283 -3.250 11.893 1.00 7.14 C ATOM 27 CD1 PHE A 3 8.897 -2.168 11.079 1.00 7.73 C ATOM 28 CD2 PHE A 3 10.651 -3.543 12.055 1.00 8.41 C ATOM 29 CE1 PHE A 3 9.871 -1.385 10.433 1.00 9.42 C ATOM 30 CE2 PHE A 3 11.624 -2.761 11.410 1.00 9.98 C ATOM 31 CZ PHE A 3 11.234 -1.683 10.599 1.00 10.45 C ATOM 0 H PHE A 3 8.897 -4.603 9.954 1.00 7.32 H new ATOM 0 HA PHE A 3 7.477 -6.154 12.045 1.00 5.92 H new ATOM 0 HB2 PHE A 3 7.419 -3.589 12.886 1.00 5.95 H new ATOM 0 HB3 PHE A 3 8.684 -4.719 13.328 1.00 5.95 H new ATOM 0 HD1 PHE A 3 7.850 -1.938 10.950 1.00 7.73 H new ATOM 0 HD2 PHE A 3 10.953 -4.372 12.678 1.00 8.41 H new ATOM 0 HE1 PHE A 3 9.571 -0.555 9.810 1.00 9.42 H new ATOM 0 HE2 PHE A 3 12.672 -2.989 11.538 1.00 9.98 H new ATOM 0 HZ PHE A 3 11.982 -1.083 10.103 1.00 10.45 H new ATOM 41 N THR A 4 5.215 -5.384 11.500 1.00 4.49 N ATOM 42 CA THR A 4 3.827 -5.306 11.014 1.00 4.57 C ATOM 43 C THR A 4 3.119 -4.037 11.494 1.00 3.06 C ATOM 44 O THR A 4 2.112 -4.105 12.191 1.00 4.12 O ATOM 45 CB THR A 4 3.077 -6.581 11.434 1.00 6.23 C ATOM 46 OG1 THR A 4 3.150 -6.698 12.837 1.00 6.66 O ATOM 47 CG2 THR A 4 3.678 -7.843 10.815 1.00 7.45 C ATOM 0 H THR A 4 5.295 -5.943 12.349 1.00 4.49 H new ATOM 0 HA THR A 4 3.836 -5.243 9.926 1.00 4.57 H new ATOM 0 HB THR A 4 2.048 -6.493 11.084 1.00 6.23 H new ATOM 0 HG1 THR A 4 2.688 -5.941 13.253 1.00 6.66 H new ATOM 0 HG21 THR A 4 3.112 -8.715 11.143 1.00 7.45 H new ATOM 0 HG22 THR A 4 3.635 -7.771 9.728 1.00 7.45 H new ATOM 0 HG23 THR A 4 4.716 -7.945 11.131 1.00 7.45 H new ATOM 55 N GLU A 5 3.662 -2.872 11.163 1.00 1.56 N ATOM 56 CA GLU A 5 3.178 -1.566 11.638 1.00 1.66 C ATOM 57 C GLU A 5 2.261 -0.910 10.597 1.00 1.49 C ATOM 58 O GLU A 5 2.633 0.078 9.958 1.00 1.55 O ATOM 59 CB GLU A 5 4.357 -0.648 11.993 1.00 3.01 C ATOM 60 CG GLU A 5 5.423 -1.340 12.848 1.00 3.82 C ATOM 61 CD GLU A 5 6.315 -0.360 13.615 1.00 5.32 C ATOM 62 OE1 GLU A 5 6.159 0.875 13.476 1.00 6.28 O ATOM 63 OE2 GLU A 5 7.287 -0.815 14.244 1.00 6.10 O ATOM 0 H GLU A 5 4.469 -2.799 10.544 1.00 1.56 H new ATOM 0 HA GLU A 5 2.592 -1.728 12.543 1.00 1.66 H new ATOM 0 HB2 GLU A 5 4.817 -0.285 11.074 1.00 3.01 H new ATOM 0 HB3 GLU A 5 3.982 0.225 12.527 1.00 3.01 H new ATOM 0 HG2 GLU A 5 4.933 -2.006 13.558 1.00 3.82 H new ATOM 0 HG3 GLU A 5 6.047 -1.962 12.206 1.00 3.82 H new ATOM 70 N GLY A 6 1.147 -1.565 10.269 1.00 1.68 N ATOM 71 CA GLY A 6 0.252 -1.116 9.200 1.00 1.43 C ATOM 72 C GLY A 6 -1.149 -1.696 9.306 1.00 1.23 C ATOM 73 O GLY A 6 -1.432 -2.512 10.182 1.00 1.37 O ATOM 0 H GLY A 6 0.840 -2.419 10.735 1.00 1.68 H new ATOM 0 HA2 GLY A 6 0.190 -0.028 9.221 1.00 1.43 H new ATOM 0 HA3 GLY A 6 0.680 -1.393 8.237 1.00 1.43 H new ATOM 77 N TRP A 7 -2.004 -1.341 8.345 1.00 0.95 N ATOM 78 CA TRP A 7 -3.353 -1.897 8.207 1.00 0.78 C ATOM 79 C TRP A 7 -3.860 -1.889 6.757 1.00 0.58 C ATOM 80 O TRP A 7 -3.523 -1.008 5.967 1.00 0.70 O ATOM 81 CB TRP A 7 -4.338 -1.196 9.155 1.00 0.93 C ATOM 82 CG TRP A 7 -4.671 0.228 8.836 1.00 0.94 C ATOM 83 CD1 TRP A 7 -5.779 0.652 8.187 1.00 1.01 C ATOM 84 CD2 TRP A 7 -3.912 1.436 9.150 1.00 1.18 C ATOM 85 NE1 TRP A 7 -5.786 2.031 8.126 1.00 1.29 N ATOM 86 CE2 TRP A 7 -4.627 2.563 8.649 1.00 1.41 C ATOM 87 CE3 TRP A 7 -2.681 1.695 9.789 1.00 1.39 C ATOM 88 CZ2 TRP A 7 -4.133 3.871 8.741 1.00 1.80 C ATOM 89 CZ3 TRP A 7 -2.168 3.002 9.882 1.00 1.72 C ATOM 90 CH2 TRP A 7 -2.885 4.087 9.355 1.00 1.92 C ATOM 0 H TRP A 7 -1.776 -0.650 7.630 1.00 0.95 H new ATOM 0 HA TRP A 7 -3.290 -2.946 8.497 1.00 0.78 H new ATOM 0 HB2 TRP A 7 -5.265 -1.769 9.168 1.00 0.93 H new ATOM 0 HB3 TRP A 7 -3.926 -1.233 10.164 1.00 0.93 H new ATOM 0 HD1 TRP A 7 -6.544 0.008 7.778 1.00 1.01 H new ATOM 0 HE1 TRP A 7 -6.551 2.586 7.743 1.00 1.29 H new ATOM 0 HE3 TRP A 7 -2.122 0.875 10.215 1.00 1.39 H new ATOM 0 HZ2 TRP A 7 -4.701 4.701 8.347 1.00 1.80 H new ATOM 0 HZ3 TRP A 7 -1.216 3.171 10.362 1.00 1.72 H new ATOM 0 HH2 TRP A 7 -2.480 5.086 9.420 1.00 1.92 H new ATOM 101 N VAL A 8 -4.691 -2.867 6.400 1.00 0.59 N ATOM 102 CA VAL A 8 -5.425 -2.887 5.123 1.00 0.71 C ATOM 103 C VAL A 8 -6.792 -2.224 5.354 1.00 0.79 C ATOM 104 O VAL A 8 -7.330 -2.281 6.462 1.00 0.79 O ATOM 105 CB VAL A 8 -5.530 -4.314 4.529 1.00 0.96 C ATOM 106 CG1 VAL A 8 -6.110 -4.293 3.106 1.00 1.39 C ATOM 107 CG2 VAL A 8 -4.137 -4.971 4.465 1.00 1.12 C ATOM 0 H VAL A 8 -4.880 -3.678 6.990 1.00 0.59 H new ATOM 0 HA VAL A 8 -4.879 -2.320 4.369 1.00 0.71 H new ATOM 0 HB VAL A 8 -6.193 -4.882 5.181 1.00 0.96 H new ATOM 0 HG11 VAL A 8 -6.169 -5.311 2.722 1.00 1.39 H new ATOM 0 HG12 VAL A 8 -7.108 -3.855 3.126 1.00 1.39 H new ATOM 0 HG13 VAL A 8 -5.465 -3.698 2.459 1.00 1.39 H new ATOM 0 HG21 VAL A 8 -4.226 -5.973 4.046 1.00 1.12 H new ATOM 0 HG22 VAL A 8 -3.480 -4.371 3.835 1.00 1.12 H new ATOM 0 HG23 VAL A 8 -3.718 -5.034 5.469 1.00 1.12 H new ATOM 117 N ARG A 9 -7.316 -1.518 4.347 1.00 0.95 N ATOM 118 CA ARG A 9 -8.470 -0.636 4.515 1.00 1.07 C ATOM 119 C ARG A 9 -9.806 -1.369 4.356 1.00 1.18 C ATOM 120 O ARG A 9 -10.056 -1.990 3.324 1.00 2.23 O ATOM 121 CB ARG A 9 -8.380 0.530 3.520 1.00 1.24 C ATOM 122 CG ARG A 9 -9.199 1.718 4.032 1.00 1.31 C ATOM 123 CD ARG A 9 -9.194 2.899 3.059 1.00 1.96 C ATOM 124 NE ARG A 9 -9.613 4.103 3.777 1.00 2.08 N ATOM 125 CZ ARG A 9 -9.641 5.370 3.408 1.00 3.23 C ATOM 126 NH1 ARG A 9 -9.212 5.766 2.229 1.00 4.47 N ATOM 127 NH2 ARG A 9 -10.107 6.253 4.259 1.00 3.75 N ATOM 0 H ARG A 9 -6.951 -1.543 3.395 1.00 0.95 H new ATOM 0 HA ARG A 9 -8.442 -0.256 5.536 1.00 1.07 H new ATOM 0 HB2 ARG A 9 -7.339 0.826 3.386 1.00 1.24 H new ATOM 0 HB3 ARG A 9 -8.750 0.216 2.544 1.00 1.24 H new ATOM 0 HG2 ARG A 9 -10.227 1.399 4.205 1.00 1.31 H new ATOM 0 HG3 ARG A 9 -8.800 2.042 4.993 1.00 1.31 H new ATOM 0 HD2 ARG A 9 -8.198 3.038 2.639 1.00 1.96 H new ATOM 0 HD3 ARG A 9 -9.868 2.703 2.225 1.00 1.96 H new ATOM 0 HE ARG A 9 -9.940 3.934 4.728 1.00 2.08 H new ATOM 0 HH11 ARG A 9 -8.842 5.085 1.566 1.00 4.47 H new ATOM 0 HH12 ARG A 9 -9.249 6.754 1.978 1.00 4.47 H new ATOM 0 HH21 ARG A 9 -10.435 5.953 5.177 1.00 3.75 H new ATOM 0 HH22 ARG A 9 -10.141 7.240 4.003 1.00 3.75 H new ATOM 141 N PHE A 10 -10.683 -1.204 5.348 1.00 0.75 N ATOM 142 CA PHE A 10 -12.087 -1.604 5.299 1.00 0.75 C ATOM 143 C PHE A 10 -12.797 -1.128 4.021 1.00 0.88 C ATOM 144 O PHE A 10 -12.511 -0.049 3.498 1.00 1.27 O ATOM 145 CB PHE A 10 -12.777 -1.010 6.534 1.00 1.10 C ATOM 146 CG PHE A 10 -14.277 -1.199 6.570 1.00 1.07 C ATOM 147 CD1 PHE A 10 -15.121 -0.252 5.961 1.00 2.73 C ATOM 148 CD2 PHE A 10 -14.823 -2.364 7.132 1.00 1.98 C ATOM 149 CE1 PHE A 10 -16.500 -0.499 5.867 1.00 2.68 C ATOM 150 CE2 PHE A 10 -16.208 -2.599 7.066 1.00 2.19 C ATOM 151 CZ PHE A 10 -17.047 -1.673 6.419 1.00 1.33 C ATOM 0 H PHE A 10 -10.425 -0.774 6.236 1.00 0.75 H new ATOM 0 HA PHE A 10 -12.143 -2.693 5.291 1.00 0.75 H new ATOM 0 HB2 PHE A 10 -12.346 -1.462 7.427 1.00 1.10 H new ATOM 0 HB3 PHE A 10 -12.557 0.057 6.579 1.00 1.10 H new ATOM 0 HD1 PHE A 10 -14.708 0.665 5.566 1.00 2.73 H new ATOM 0 HD2 PHE A 10 -14.178 -3.082 7.616 1.00 1.98 H new ATOM 0 HE1 PHE A 10 -17.142 0.213 5.370 1.00 2.68 H new ATOM 0 HE2 PHE A 10 -16.627 -3.489 7.511 1.00 2.19 H new ATOM 0 HZ PHE A 10 -18.108 -1.862 6.346 1.00 1.33 H new ATOM 161 N SER A 11 -13.807 -1.882 3.589 1.00 0.83 N ATOM 162 CA SER A 11 -14.763 -1.427 2.579 1.00 1.06 C ATOM 163 C SER A 11 -16.030 -2.294 2.569 1.00 1.16 C ATOM 164 O SER A 11 -15.944 -3.493 2.851 1.00 1.42 O ATOM 165 CB SER A 11 -14.105 -1.447 1.188 1.00 1.46 C ATOM 166 OG SER A 11 -14.833 -0.679 0.249 1.00 2.39 O ATOM 0 H SER A 11 -13.986 -2.827 3.929 1.00 0.83 H new ATOM 0 HA SER A 11 -15.056 -0.408 2.831 1.00 1.06 H new ATOM 0 HB2 SER A 11 -13.088 -1.062 1.262 1.00 1.46 H new ATOM 0 HB3 SER A 11 -14.031 -2.476 0.836 1.00 1.46 H new ATOM 0 HG SER A 11 -14.356 -0.671 -0.607 1.00 2.39 H new ATOM 172 N PRO A 12 -17.204 -1.720 2.240 1.00 1.32 N ATOM 173 CA PRO A 12 -18.403 -2.483 1.920 1.00 1.56 C ATOM 174 C PRO A 12 -18.456 -2.884 0.431 1.00 1.43 C ATOM 175 O PRO A 12 -19.380 -3.590 0.034 1.00 1.92 O ATOM 176 CB PRO A 12 -19.547 -1.529 2.272 1.00 1.96 C ATOM 177 CG PRO A 12 -18.988 -0.169 1.854 1.00 1.93 C ATOM 178 CD PRO A 12 -17.497 -0.289 2.175 1.00 1.60 C ATOM 0 HA PRO A 12 -18.447 -3.425 2.467 1.00 1.56 H new ATOM 0 HB2 PRO A 12 -20.461 -1.775 1.731 1.00 1.96 H new ATOM 0 HB3 PRO A 12 -19.787 -1.559 3.335 1.00 1.96 H new ATOM 0 HG2 PRO A 12 -19.157 0.028 0.795 1.00 1.93 H new ATOM 0 HG3 PRO A 12 -19.455 0.645 2.408 1.00 1.93 H new ATOM 0 HD2 PRO A 12 -16.894 0.197 1.408 1.00 1.60 H new ATOM 0 HD3 PRO A 12 -17.263 0.199 3.121 1.00 1.60 H new ATOM 186 N GLY A 13 -17.518 -2.401 -0.397 1.00 1.11 N ATOM 187 CA GLY A 13 -17.512 -2.576 -1.852 1.00 1.07 C ATOM 188 C GLY A 13 -16.421 -3.528 -2.362 1.00 0.88 C ATOM 189 O GLY A 13 -15.601 -4.011 -1.582 1.00 0.97 O ATOM 0 H GLY A 13 -16.720 -1.862 -0.060 1.00 1.11 H new ATOM 0 HA2 GLY A 13 -18.485 -2.953 -2.166 1.00 1.07 H new ATOM 0 HA3 GLY A 13 -17.380 -1.602 -2.324 1.00 1.07 H new ATOM 193 N PRO A 14 -16.373 -3.770 -3.689 1.00 0.90 N ATOM 194 CA PRO A 14 -15.373 -4.627 -4.333 1.00 0.97 C ATOM 195 C PRO A 14 -13.962 -4.018 -4.349 1.00 0.79 C ATOM 196 O PRO A 14 -12.994 -4.724 -4.623 1.00 0.93 O ATOM 197 CB PRO A 14 -15.881 -4.818 -5.763 1.00 1.26 C ATOM 198 CG PRO A 14 -16.673 -3.543 -6.044 1.00 1.28 C ATOM 199 CD PRO A 14 -17.283 -3.216 -4.685 1.00 1.13 C ATOM 0 HA PRO A 14 -15.268 -5.561 -3.781 1.00 0.97 H new ATOM 0 HB2 PRO A 14 -15.058 -4.940 -6.467 1.00 1.26 H new ATOM 0 HB3 PRO A 14 -16.508 -5.705 -5.849 1.00 1.26 H new ATOM 0 HG2 PRO A 14 -16.031 -2.739 -6.403 1.00 1.28 H new ATOM 0 HG3 PRO A 14 -17.439 -3.702 -6.803 1.00 1.28 H new ATOM 0 HD2 PRO A 14 -17.393 -2.139 -4.556 1.00 1.13 H new ATOM 0 HD3 PRO A 14 -18.278 -3.652 -4.589 1.00 1.13 H new ATOM 207 N ASN A 15 -13.850 -2.713 -4.099 1.00 0.64 N ATOM 208 CA ASN A 15 -12.622 -1.936 -4.061 1.00 0.60 C ATOM 209 C ASN A 15 -12.226 -1.464 -2.646 1.00 0.57 C ATOM 210 O ASN A 15 -13.053 -1.040 -1.835 1.00 0.79 O ATOM 211 CB ASN A 15 -12.786 -0.757 -5.024 1.00 0.84 C ATOM 212 CG ASN A 15 -14.052 0.057 -4.768 1.00 1.37 C ATOM 213 OD1 ASN A 15 -15.151 -0.339 -5.126 1.00 2.40 O ATOM 214 ND2 ASN A 15 -13.946 1.200 -4.119 1.00 2.30 N ATOM 0 H ASN A 15 -14.670 -2.139 -3.906 1.00 0.64 H new ATOM 0 HA ASN A 15 -11.798 -2.578 -4.371 1.00 0.60 H new ATOM 0 HB2 ASN A 15 -11.918 -0.103 -4.939 1.00 0.84 H new ATOM 0 HB3 ASN A 15 -12.804 -1.132 -6.047 1.00 0.84 H new ATOM 0 HD21 ASN A 15 -14.780 1.751 -3.917 1.00 2.30 H new ATOM 0 HD22 ASN A 15 -13.030 1.533 -3.819 1.00 2.30 H new ATOM 221 N ALA A 16 -10.915 -1.476 -2.396 1.00 0.45 N ATOM 222 CA ALA A 16 -10.214 -1.241 -1.131 1.00 0.41 C ATOM 223 C ALA A 16 -8.808 -0.639 -1.383 1.00 0.40 C ATOM 224 O ALA A 16 -8.453 -0.315 -2.517 1.00 0.38 O ATOM 225 CB ALA A 16 -10.167 -2.577 -0.368 1.00 0.50 C ATOM 0 H ALA A 16 -10.253 -1.669 -3.147 1.00 0.45 H new ATOM 0 HA ALA A 16 -10.741 -0.506 -0.522 1.00 0.41 H new ATOM 0 HB1 ALA A 16 -9.650 -2.436 0.581 1.00 0.50 H new ATOM 0 HB2 ALA A 16 -11.183 -2.924 -0.180 1.00 0.50 H new ATOM 0 HB3 ALA A 16 -9.635 -3.318 -0.964 1.00 0.50 H new ATOM 231 N ALA A 17 -8.019 -0.443 -0.325 1.00 0.47 N ATOM 232 CA ALA A 17 -6.659 0.125 -0.327 1.00 0.47 C ATOM 233 C ALA A 17 -5.799 -0.603 0.724 1.00 0.61 C ATOM 234 O ALA A 17 -6.364 -1.163 1.665 1.00 0.84 O ATOM 235 CB ALA A 17 -6.749 1.630 -0.026 1.00 0.50 C ATOM 0 H ALA A 17 -8.326 -0.690 0.616 1.00 0.47 H new ATOM 0 HA ALA A 17 -6.190 -0.009 -1.302 1.00 0.47 H new ATOM 0 HB1 ALA A 17 -5.748 2.061 -0.025 1.00 0.50 H new ATOM 0 HB2 ALA A 17 -7.354 2.118 -0.790 1.00 0.50 H new ATOM 0 HB3 ALA A 17 -7.209 1.779 0.951 1.00 0.50 H new ATOM 241 N ALA A 18 -4.465 -0.561 0.644 1.00 0.54 N ATOM 242 CA ALA A 18 -3.597 -1.134 1.685 1.00 0.56 C ATOM 243 C ALA A 18 -2.491 -0.165 2.126 1.00 0.42 C ATOM 244 O ALA A 18 -1.836 0.460 1.290 1.00 0.43 O ATOM 245 CB ALA A 18 -3.022 -2.479 1.213 1.00 0.69 C ATOM 0 H ALA A 18 -3.959 -0.135 -0.133 1.00 0.54 H new ATOM 0 HA ALA A 18 -4.210 -1.311 2.569 1.00 0.56 H new ATOM 0 HB1 ALA A 18 -2.381 -2.894 1.991 1.00 0.69 H new ATOM 0 HB2 ALA A 18 -3.838 -3.172 1.007 1.00 0.69 H new ATOM 0 HB3 ALA A 18 -2.438 -2.327 0.305 1.00 0.69 H new ATOM 251 N TYR A 19 -2.272 -0.101 3.442 1.00 0.48 N ATOM 252 CA TYR A 19 -1.242 0.702 4.114 1.00 0.52 C ATOM 253 C TYR A 19 -0.251 -0.230 4.839 1.00 0.61 C ATOM 254 O TYR A 19 -0.296 -0.417 6.055 1.00 1.11 O ATOM 255 CB TYR A 19 -1.921 1.709 5.064 1.00 0.62 C ATOM 256 CG TYR A 19 -3.082 2.486 4.460 1.00 0.81 C ATOM 257 CD1 TYR A 19 -2.891 3.333 3.351 1.00 1.74 C ATOM 258 CD2 TYR A 19 -4.370 2.350 5.010 1.00 2.29 C ATOM 259 CE1 TYR A 19 -3.975 4.043 2.799 1.00 1.92 C ATOM 260 CE2 TYR A 19 -5.452 3.087 4.497 1.00 2.56 C ATOM 261 CZ TYR A 19 -5.255 3.939 3.389 1.00 1.60 C ATOM 262 OH TYR A 19 -6.296 4.672 2.909 1.00 2.03 O ATOM 0 H TYR A 19 -2.836 -0.635 4.103 1.00 0.48 H new ATOM 0 HA TYR A 19 -0.667 1.277 3.388 1.00 0.52 H new ATOM 0 HB2 TYR A 19 -2.281 1.171 5.941 1.00 0.62 H new ATOM 0 HB3 TYR A 19 -1.171 2.419 5.412 1.00 0.62 H new ATOM 0 HD1 TYR A 19 -1.906 3.439 2.921 1.00 1.74 H new ATOM 0 HD2 TYR A 19 -4.529 1.672 5.835 1.00 2.29 H new ATOM 0 HE1 TYR A 19 -3.829 4.665 1.928 1.00 1.92 H new ATOM 0 HE2 TYR A 19 -6.429 3.002 4.949 1.00 2.56 H new ATOM 0 HH TYR A 19 -6.171 4.828 1.950 1.00 2.03 H new ATOM 272 N LEU A 20 0.589 -0.935 4.068 1.00 1.08 N ATOM 273 CA LEU A 20 1.584 -1.877 4.602 1.00 1.13 C ATOM 274 C LEU A 20 2.868 -1.160 5.034 1.00 1.02 C ATOM 275 O LEU A 20 3.177 -0.075 4.538 1.00 0.92 O ATOM 276 CB LEU A 20 1.816 -3.025 3.599 1.00 1.21 C ATOM 277 CG LEU A 20 2.632 -2.683 2.333 1.00 1.07 C ATOM 278 CD1 LEU A 20 4.151 -2.763 2.558 1.00 1.69 C ATOM 279 CD2 LEU A 20 2.263 -3.669 1.222 1.00 1.67 C ATOM 0 H LEU A 20 0.598 -0.868 3.050 1.00 1.08 H new ATOM 0 HA LEU A 20 1.196 -2.330 5.514 1.00 1.13 H new ATOM 0 HB2 LEU A 20 2.322 -3.837 4.121 1.00 1.21 H new ATOM 0 HB3 LEU A 20 0.844 -3.405 3.285 1.00 1.21 H new ATOM 0 HG LEU A 20 2.387 -1.655 2.064 1.00 1.07 H new ATOM 0 HD11 LEU A 20 4.670 -2.512 1.633 1.00 1.69 H new ATOM 0 HD12 LEU A 20 4.441 -2.060 3.339 1.00 1.69 H new ATOM 0 HD13 LEU A 20 4.421 -3.774 2.863 1.00 1.69 H new ATOM 0 HD21 LEU A 20 2.834 -3.435 0.324 1.00 1.67 H new ATOM 0 HD22 LEU A 20 2.494 -4.684 1.545 1.00 1.67 H new ATOM 0 HD23 LEU A 20 1.198 -3.591 1.005 1.00 1.67 H new ATOM 291 N THR A 21 3.656 -1.763 5.928 1.00 1.12 N ATOM 292 CA THR A 21 4.927 -1.194 6.412 1.00 1.12 C ATOM 293 C THR A 21 6.072 -1.672 5.529 1.00 1.16 C ATOM 294 O THR A 21 6.186 -2.869 5.266 1.00 1.36 O ATOM 295 CB THR A 21 5.196 -1.537 7.890 1.00 1.35 C ATOM 296 OG1 THR A 21 3.967 -1.750 8.520 1.00 2.45 O ATOM 297 CG2 THR A 21 5.997 -0.438 8.587 1.00 1.82 C ATOM 0 H THR A 21 3.432 -2.668 6.343 1.00 1.12 H new ATOM 0 HA THR A 21 4.851 -0.108 6.352 1.00 1.12 H new ATOM 0 HB THR A 21 5.803 -2.441 7.950 1.00 1.35 H new ATOM 0 HG1 THR A 21 3.531 -0.888 8.687 1.00 2.45 H new ATOM 0 HG21 THR A 21 6.167 -0.716 9.627 1.00 1.82 H new ATOM 0 HG22 THR A 21 6.956 -0.312 8.084 1.00 1.82 H new ATOM 0 HG23 THR A 21 5.441 0.498 8.548 1.00 1.82 H new ATOM 305 N LEU A 22 6.936 -0.757 5.075 1.00 1.37 N ATOM 306 CA LEU A 22 8.135 -1.108 4.297 1.00 1.71 C ATOM 307 C LEU A 22 9.388 -0.998 5.181 1.00 1.35 C ATOM 308 O LEU A 22 9.626 0.032 5.817 1.00 1.35 O ATOM 309 CB LEU A 22 8.223 -0.218 3.030 1.00 2.36 C ATOM 310 CG LEU A 22 8.714 -0.884 1.730 1.00 2.81 C ATOM 311 CD1 LEU A 22 10.062 -1.593 1.908 1.00 3.07 C ATOM 312 CD2 LEU A 22 7.664 -1.845 1.161 1.00 2.91 C ATOM 0 H LEU A 22 6.827 0.245 5.234 1.00 1.37 H new ATOM 0 HA LEU A 22 8.068 -2.143 3.961 1.00 1.71 H new ATOM 0 HB2 LEU A 22 7.234 0.200 2.842 1.00 2.36 H new ATOM 0 HB3 LEU A 22 8.886 0.619 3.251 1.00 2.36 H new ATOM 0 HG LEU A 22 8.866 -0.080 1.010 1.00 2.81 H new ATOM 0 HD11 LEU A 22 10.363 -2.045 0.963 1.00 3.07 H new ATOM 0 HD12 LEU A 22 10.815 -0.870 2.220 1.00 3.07 H new ATOM 0 HD13 LEU A 22 9.968 -2.369 2.668 1.00 3.07 H new ATOM 0 HD21 LEU A 22 8.043 -2.297 0.244 1.00 2.91 H new ATOM 0 HD22 LEU A 22 7.453 -2.627 1.891 1.00 2.91 H new ATOM 0 HD23 LEU A 22 6.748 -1.296 0.943 1.00 2.91 H new ATOM 324 N GLU A 23 10.206 -2.050 5.182 1.00 1.28 N ATOM 325 CA GLU A 23 11.565 -2.099 5.728 1.00 1.06 C ATOM 326 C GLU A 23 12.516 -2.453 4.577 1.00 1.13 C ATOM 327 O GLU A 23 12.173 -3.275 3.730 1.00 1.47 O ATOM 328 CB GLU A 23 11.657 -3.182 6.823 1.00 1.29 C ATOM 329 CG GLU A 23 13.039 -3.261 7.501 1.00 2.31 C ATOM 330 CD GLU A 23 13.253 -4.548 8.296 1.00 2.86 C ATOM 331 OE1 GLU A 23 13.076 -5.666 7.757 1.00 3.76 O ATOM 332 OE2 GLU A 23 13.668 -4.482 9.469 1.00 3.45 O ATOM 0 H GLU A 23 9.923 -2.943 4.779 1.00 1.28 H new ATOM 0 HA GLU A 23 11.830 -1.138 6.169 1.00 1.06 H new ATOM 0 HB2 GLU A 23 10.900 -2.984 7.582 1.00 1.29 H new ATOM 0 HB3 GLU A 23 11.422 -4.151 6.384 1.00 1.29 H new ATOM 0 HG2 GLU A 23 13.814 -3.180 6.739 1.00 2.31 H new ATOM 0 HG3 GLU A 23 13.158 -2.407 8.168 1.00 2.31 H new ATOM 339 N ASN A 24 13.723 -1.886 4.573 1.00 0.97 N ATOM 340 CA ASN A 24 14.794 -2.265 3.654 1.00 1.03 C ATOM 341 C ASN A 24 15.876 -3.077 4.386 1.00 0.88 C ATOM 342 O ASN A 24 16.919 -2.527 4.723 1.00 0.83 O ATOM 343 CB ASN A 24 15.325 -0.970 3.021 1.00 1.20 C ATOM 344 CG ASN A 24 16.145 -1.193 1.760 1.00 1.45 C ATOM 345 OD1 ASN A 24 15.895 -0.567 0.752 1.00 3.31 O ATOM 346 ND2 ASN A 24 17.127 -2.073 1.743 1.00 1.16 N ATOM 0 H ASN A 24 13.987 -1.140 5.217 1.00 0.97 H new ATOM 0 HA ASN A 24 14.433 -2.921 2.862 1.00 1.03 H new ATOM 0 HB2 ASN A 24 14.482 -0.320 2.785 1.00 1.20 H new ATOM 0 HB3 ASN A 24 15.938 -0.444 3.753 1.00 1.20 H new ATOM 0 HD21 ASN A 24 17.665 -2.220 0.889 1.00 1.16 H new ATOM 0 HD22 ASN A 24 17.348 -2.607 2.584 1.00 1.16 H new ATOM 353 N PRO A 25 15.683 -4.382 4.646 1.00 1.09 N ATOM 354 CA PRO A 25 16.624 -5.169 5.445 1.00 1.18 C ATOM 355 C PRO A 25 17.965 -5.491 4.770 1.00 1.16 C ATOM 356 O PRO A 25 18.838 -6.040 5.438 1.00 1.38 O ATOM 357 CB PRO A 25 15.865 -6.458 5.786 1.00 1.46 C ATOM 358 CG PRO A 25 14.883 -6.601 4.622 1.00 1.60 C ATOM 359 CD PRO A 25 14.492 -5.162 4.350 1.00 1.39 C ATOM 0 HA PRO A 25 16.925 -4.585 6.315 1.00 1.18 H new ATOM 0 HB2 PRO A 25 16.536 -7.314 5.855 1.00 1.46 H new ATOM 0 HB3 PRO A 25 15.348 -6.380 6.742 1.00 1.46 H new ATOM 0 HG2 PRO A 25 15.348 -7.067 3.753 1.00 1.60 H new ATOM 0 HG3 PRO A 25 14.022 -7.213 4.890 1.00 1.60 H new ATOM 0 HD2 PRO A 25 14.180 -5.027 3.314 1.00 1.39 H new ATOM 0 HD3 PRO A 25 13.655 -4.856 4.977 1.00 1.39 H new ATOM 367 N GLY A 26 18.155 -5.158 3.486 1.00 1.02 N ATOM 368 CA GLY A 26 19.449 -5.235 2.822 1.00 1.01 C ATOM 369 C GLY A 26 20.269 -3.966 3.036 1.00 1.04 C ATOM 370 O GLY A 26 19.739 -2.892 3.308 1.00 1.41 O ATOM 0 H GLY A 26 17.404 -4.826 2.880 1.00 1.02 H new ATOM 0 HA2 GLY A 26 20.002 -6.094 3.201 1.00 1.01 H new ATOM 0 HA3 GLY A 26 19.301 -5.397 1.754 1.00 1.01 H new ATOM 374 N ASP A 27 21.570 -4.113 2.821 1.00 1.20 N ATOM 375 CA ASP A 27 22.588 -3.048 2.841 1.00 1.62 C ATOM 376 C ASP A 27 22.666 -2.292 1.498 1.00 1.61 C ATOM 377 O ASP A 27 23.458 -1.371 1.318 1.00 1.87 O ATOM 378 CB ASP A 27 23.944 -3.669 3.229 1.00 2.05 C ATOM 379 CG ASP A 27 24.293 -3.352 4.683 1.00 2.78 C ATOM 380 OD1 ASP A 27 24.866 -2.272 4.946 1.00 3.81 O ATOM 381 OD2 ASP A 27 23.933 -4.139 5.588 1.00 3.19 O ATOM 0 H ASP A 27 21.975 -5.026 2.616 1.00 1.20 H new ATOM 0 HA ASP A 27 22.307 -2.301 3.583 1.00 1.62 H new ATOM 0 HB2 ASP A 27 23.908 -4.749 3.087 1.00 2.05 H new ATOM 0 HB3 ASP A 27 24.725 -3.287 2.572 1.00 2.05 H new ATOM 386 N LEU A 28 21.804 -2.683 0.559 1.00 1.33 N ATOM 387 CA LEU A 28 21.606 -2.085 -0.752 1.00 1.29 C ATOM 388 C LEU A 28 20.119 -1.684 -0.893 1.00 1.02 C ATOM 389 O LEU A 28 19.271 -2.256 -0.198 1.00 0.85 O ATOM 390 CB LEU A 28 22.035 -3.096 -1.831 1.00 1.39 C ATOM 391 CG LEU A 28 23.491 -3.614 -1.707 1.00 3.06 C ATOM 392 CD1 LEU A 28 23.583 -4.942 -0.933 1.00 4.48 C ATOM 393 CD2 LEU A 28 24.090 -3.830 -3.105 1.00 3.45 C ATOM 0 H LEU A 28 21.186 -3.480 0.709 1.00 1.33 H new ATOM 0 HA LEU A 28 22.213 -1.188 -0.873 1.00 1.29 H new ATOM 0 HB2 LEU A 28 21.358 -3.950 -1.796 1.00 1.39 H new ATOM 0 HB3 LEU A 28 21.913 -2.632 -2.810 1.00 1.39 H new ATOM 0 HG LEU A 28 24.046 -2.856 -1.155 1.00 3.06 H new ATOM 0 HD11 LEU A 28 24.624 -5.259 -0.876 1.00 4.48 H new ATOM 0 HD12 LEU A 28 23.190 -4.804 0.074 1.00 4.48 H new ATOM 0 HD13 LEU A 28 22.999 -5.705 -1.449 1.00 4.48 H new ATOM 0 HD21 LEU A 28 25.113 -4.194 -3.010 1.00 3.45 H new ATOM 0 HD22 LEU A 28 23.493 -4.563 -3.647 1.00 3.45 H new ATOM 0 HD23 LEU A 28 24.090 -2.886 -3.651 1.00 3.45 H new ATOM 405 N PRO A 29 19.781 -0.715 -1.761 1.00 1.06 N ATOM 406 CA PRO A 29 18.471 -0.084 -1.772 1.00 0.98 C ATOM 407 C PRO A 29 17.444 -0.963 -2.488 1.00 0.88 C ATOM 408 O PRO A 29 17.755 -1.624 -3.482 1.00 0.97 O ATOM 409 CB PRO A 29 18.673 1.255 -2.486 1.00 1.11 C ATOM 410 CG PRO A 29 19.834 0.986 -3.443 1.00 1.25 C ATOM 411 CD PRO A 29 20.636 -0.141 -2.786 1.00 1.19 C ATOM 0 HA PRO A 29 18.078 0.061 -0.766 1.00 0.98 H new ATOM 0 HB2 PRO A 29 17.775 1.562 -3.023 1.00 1.11 H new ATOM 0 HB3 PRO A 29 18.911 2.052 -1.782 1.00 1.11 H new ATOM 0 HG2 PRO A 29 19.473 0.691 -4.428 1.00 1.25 H new ATOM 0 HG3 PRO A 29 20.446 1.877 -3.581 1.00 1.25 H new ATOM 0 HD2 PRO A 29 20.919 -0.894 -3.521 1.00 1.19 H new ATOM 0 HD3 PRO A 29 21.559 0.243 -2.351 1.00 1.19 H new ATOM 419 N LEU A 30 16.208 -0.951 -1.987 1.00 0.74 N ATOM 420 CA LEU A 30 15.066 -1.633 -2.589 1.00 0.65 C ATOM 421 C LEU A 30 14.166 -0.693 -3.381 1.00 0.60 C ATOM 422 O LEU A 30 13.950 0.469 -3.046 1.00 0.62 O ATOM 423 CB LEU A 30 14.227 -2.352 -1.522 1.00 0.59 C ATOM 424 CG LEU A 30 14.869 -3.652 -1.028 1.00 0.67 C ATOM 425 CD1 LEU A 30 14.112 -4.163 0.205 1.00 1.68 C ATOM 426 CD2 LEU A 30 14.876 -4.768 -2.081 1.00 1.34 C ATOM 0 H LEU A 30 15.969 -0.453 -1.129 1.00 0.74 H new ATOM 0 HA LEU A 30 15.485 -2.361 -3.283 1.00 0.65 H new ATOM 0 HB2 LEU A 30 14.077 -1.683 -0.675 1.00 0.59 H new ATOM 0 HB3 LEU A 30 13.241 -2.573 -1.932 1.00 0.59 H new ATOM 0 HG LEU A 30 15.906 -3.410 -0.794 1.00 0.67 H new ATOM 0 HD11 LEU A 30 14.570 -5.088 0.555 1.00 1.68 H new ATOM 0 HD12 LEU A 30 14.156 -3.414 0.996 1.00 1.68 H new ATOM 0 HD13 LEU A 30 13.071 -4.351 -0.059 1.00 1.68 H new ATOM 0 HD21 LEU A 30 15.345 -5.659 -1.664 1.00 1.34 H new ATOM 0 HD22 LEU A 30 13.852 -5.000 -2.372 1.00 1.34 H new ATOM 0 HD23 LEU A 30 15.436 -4.439 -2.956 1.00 1.34 H new ATOM 438 N ARG A 31 13.556 -1.311 -4.389 1.00 0.58 N ATOM 439 CA ARG A 31 12.575 -0.700 -5.290 1.00 0.50 C ATOM 440 C ARG A 31 11.304 -1.534 -5.343 1.00 0.52 C ATOM 441 O ARG A 31 11.296 -2.621 -5.929 1.00 0.55 O ATOM 442 CB ARG A 31 13.174 -0.536 -6.690 1.00 0.46 C ATOM 443 CG ARG A 31 12.312 0.405 -7.552 1.00 0.50 C ATOM 444 CD ARG A 31 13.046 0.920 -8.797 1.00 0.58 C ATOM 445 NE ARG A 31 14.182 1.770 -8.405 1.00 1.06 N ATOM 446 CZ ARG A 31 15.303 2.031 -9.057 1.00 1.02 C ATOM 447 NH1 ARG A 31 15.514 1.613 -10.290 1.00 1.81 N ATOM 448 NH2 ARG A 31 16.240 2.716 -8.448 1.00 1.89 N ATOM 0 H ARG A 31 13.737 -2.290 -4.612 1.00 0.58 H new ATOM 0 HA ARG A 31 12.316 0.287 -4.906 1.00 0.50 H new ATOM 0 HB2 ARG A 31 14.186 -0.139 -6.612 1.00 0.46 H new ATOM 0 HB3 ARG A 31 13.250 -1.510 -7.173 1.00 0.46 H new ATOM 0 HG2 ARG A 31 11.409 -0.121 -7.861 1.00 0.50 H new ATOM 0 HG3 ARG A 31 11.995 1.254 -6.947 1.00 0.50 H new ATOM 0 HD2 ARG A 31 13.401 0.079 -9.392 1.00 0.58 H new ATOM 0 HD3 ARG A 31 12.358 1.487 -9.425 1.00 0.58 H new ATOM 0 HE ARG A 31 14.091 2.225 -7.497 1.00 1.06 H new ATOM 0 HH11 ARG A 31 14.800 1.069 -10.773 1.00 1.81 H new ATOM 0 HH12 ARG A 31 16.392 1.834 -10.760 1.00 1.81 H new ATOM 0 HH21 ARG A 31 16.097 3.036 -7.490 1.00 1.89 H new ATOM 0 HH22 ARG A 31 17.112 2.929 -8.932 1.00 1.89 H new ATOM 462 N LEU A 32 10.250 -1.041 -4.706 1.00 0.53 N ATOM 463 CA LEU A 32 8.939 -1.672 -4.570 1.00 0.57 C ATOM 464 C LEU A 32 8.097 -1.324 -5.796 1.00 0.53 C ATOM 465 O LEU A 32 7.723 -0.174 -5.970 1.00 0.51 O ATOM 466 CB LEU A 32 8.369 -1.148 -3.240 1.00 0.66 C ATOM 467 CG LEU A 32 6.951 -1.555 -2.798 1.00 0.88 C ATOM 468 CD1 LEU A 32 5.861 -0.826 -3.597 1.00 2.45 C ATOM 469 CD2 LEU A 32 6.764 -3.077 -2.796 1.00 2.14 C ATOM 0 H LEU A 32 10.288 -0.134 -4.241 1.00 0.53 H new ATOM 0 HA LEU A 32 8.966 -2.761 -4.536 1.00 0.57 H new ATOM 0 HB2 LEU A 32 9.055 -1.453 -2.450 1.00 0.66 H new ATOM 0 HB3 LEU A 32 8.396 -0.059 -3.282 1.00 0.66 H new ATOM 0 HG LEU A 32 6.837 -1.230 -1.764 1.00 0.88 H new ATOM 0 HD11 LEU A 32 4.879 -1.146 -3.249 1.00 2.45 H new ATOM 0 HD12 LEU A 32 5.963 0.250 -3.454 1.00 2.45 H new ATOM 0 HD13 LEU A 32 5.966 -1.063 -4.656 1.00 2.45 H new ATOM 0 HD21 LEU A 32 5.750 -3.319 -2.478 1.00 2.14 H new ATOM 0 HD22 LEU A 32 6.931 -3.465 -3.801 1.00 2.14 H new ATOM 0 HD23 LEU A 32 7.478 -3.530 -2.108 1.00 2.14 H new ATOM 481 N VAL A 33 7.818 -2.305 -6.643 1.00 0.57 N ATOM 482 CA VAL A 33 7.172 -2.110 -7.959 1.00 0.57 C ATOM 483 C VAL A 33 5.716 -2.617 -7.970 1.00 0.58 C ATOM 484 O VAL A 33 4.940 -2.251 -8.847 1.00 0.59 O ATOM 485 CB VAL A 33 7.976 -2.805 -9.091 1.00 0.64 C ATOM 486 CG1 VAL A 33 9.410 -2.254 -9.205 1.00 0.61 C ATOM 487 CG2 VAL A 33 8.087 -4.336 -8.938 1.00 0.76 C ATOM 0 H VAL A 33 8.033 -3.282 -6.443 1.00 0.57 H new ATOM 0 HA VAL A 33 7.160 -1.035 -8.141 1.00 0.57 H new ATOM 0 HB VAL A 33 7.399 -2.582 -9.988 1.00 0.64 H new ATOM 0 HG11 VAL A 33 9.935 -2.769 -10.009 1.00 0.61 H new ATOM 0 HG12 VAL A 33 9.373 -1.186 -9.421 1.00 0.61 H new ATOM 0 HG13 VAL A 33 9.938 -2.416 -8.265 1.00 0.61 H new ATOM 0 HG21 VAL A 33 8.663 -4.744 -9.769 1.00 0.76 H new ATOM 0 HG22 VAL A 33 8.587 -4.572 -7.999 1.00 0.76 H new ATOM 0 HG23 VAL A 33 7.089 -4.775 -8.938 1.00 0.76 H new ATOM 497 N GLY A 34 5.358 -3.495 -7.019 1.00 0.61 N ATOM 498 CA GLY A 34 4.029 -4.097 -6.889 1.00 0.67 C ATOM 499 C GLY A 34 3.736 -4.653 -5.499 1.00 0.69 C ATOM 500 O GLY A 34 4.563 -4.610 -4.589 1.00 0.68 O ATOM 0 H GLY A 34 6.008 -3.812 -6.300 1.00 0.61 H new ATOM 0 HA2 GLY A 34 3.276 -3.349 -7.136 1.00 0.67 H new ATOM 0 HA3 GLY A 34 3.932 -4.901 -7.619 1.00 0.67 H new ATOM 504 N ALA A 35 2.556 -5.255 -5.380 1.00 0.75 N ATOM 505 CA ALA A 35 2.199 -6.178 -4.309 1.00 0.70 C ATOM 506 C ALA A 35 1.365 -7.343 -4.871 1.00 0.64 C ATOM 507 O ALA A 35 1.097 -7.410 -6.070 1.00 0.67 O ATOM 508 CB ALA A 35 1.490 -5.424 -3.173 1.00 0.76 C ATOM 0 H ALA A 35 1.799 -5.109 -6.048 1.00 0.75 H new ATOM 0 HA ALA A 35 3.101 -6.614 -3.880 1.00 0.70 H new ATOM 0 HB1 ALA A 35 1.228 -6.124 -2.379 1.00 0.76 H new ATOM 0 HB2 ALA A 35 2.154 -4.657 -2.776 1.00 0.76 H new ATOM 0 HB3 ALA A 35 0.584 -4.956 -3.557 1.00 0.76 H new ATOM 514 N ARG A 36 0.948 -8.251 -3.995 1.00 0.60 N ATOM 515 CA ARG A 36 0.031 -9.372 -4.218 1.00 0.59 C ATOM 516 C ARG A 36 -0.686 -9.640 -2.886 1.00 0.57 C ATOM 517 O ARG A 36 -0.200 -9.230 -1.840 1.00 0.69 O ATOM 518 CB ARG A 36 0.829 -10.599 -4.712 1.00 0.77 C ATOM 519 CG ARG A 36 0.750 -10.870 -6.220 1.00 1.12 C ATOM 520 CD ARG A 36 -0.615 -11.394 -6.679 1.00 1.82 C ATOM 521 NE ARG A 36 -0.546 -11.821 -8.086 1.00 2.52 N ATOM 522 CZ ARG A 36 -1.519 -12.372 -8.808 1.00 3.71 C ATOM 523 NH1 ARG A 36 -2.722 -12.586 -8.317 1.00 4.73 N ATOM 524 NH2 ARG A 36 -1.286 -12.710 -10.060 1.00 4.62 N ATOM 0 H ARG A 36 1.268 -8.222 -3.027 1.00 0.60 H new ATOM 0 HA ARG A 36 -0.710 -9.149 -4.985 1.00 0.59 H new ATOM 0 HB2 ARG A 36 1.876 -10.465 -4.438 1.00 0.77 H new ATOM 0 HB3 ARG A 36 0.471 -11.482 -4.182 1.00 0.77 H new ATOM 0 HG2 ARG A 36 0.976 -9.950 -6.758 1.00 1.12 H new ATOM 0 HG3 ARG A 36 1.518 -11.595 -6.491 1.00 1.12 H new ATOM 0 HD2 ARG A 36 -0.922 -12.231 -6.052 1.00 1.82 H new ATOM 0 HD3 ARG A 36 -1.369 -10.616 -6.564 1.00 1.82 H new ATOM 0 HE ARG A 36 0.346 -11.679 -8.560 1.00 2.52 H new ATOM 0 HH11 ARG A 36 -2.933 -12.327 -7.353 1.00 4.73 H new ATOM 0 HH12 ARG A 36 -3.443 -13.011 -8.900 1.00 4.73 H new ATOM 0 HH21 ARG A 36 -0.366 -12.549 -10.469 1.00 4.62 H new ATOM 0 HH22 ARG A 36 -2.026 -13.133 -10.620 1.00 4.62 H new ATOM 538 N THR A 37 -1.847 -10.292 -2.915 1.00 0.49 N ATOM 539 CA THR A 37 -2.765 -10.495 -1.781 1.00 0.48 C ATOM 540 C THR A 37 -3.820 -11.514 -2.226 1.00 0.49 C ATOM 541 O THR A 37 -4.082 -11.572 -3.433 1.00 0.49 O ATOM 542 CB THR A 37 -3.400 -9.160 -1.355 1.00 0.53 C ATOM 543 OG1 THR A 37 -4.366 -9.383 -0.366 1.00 0.66 O ATOM 544 CG2 THR A 37 -4.085 -8.379 -2.479 1.00 0.54 C ATOM 0 H THR A 37 -2.197 -10.718 -3.773 1.00 0.49 H new ATOM 0 HA THR A 37 -2.233 -10.874 -0.909 1.00 0.48 H new ATOM 0 HB THR A 37 -2.560 -8.561 -1.002 1.00 0.53 H new ATOM 0 HG1 THR A 37 -4.764 -8.528 -0.099 1.00 0.66 H new ATOM 0 HG21 THR A 37 -4.501 -7.454 -2.079 1.00 0.54 H new ATOM 0 HG22 THR A 37 -3.356 -8.143 -3.255 1.00 0.54 H new ATOM 0 HG23 THR A 37 -4.886 -8.982 -2.905 1.00 0.54 H new ATOM 552 N PRO A 38 -4.444 -12.297 -1.325 1.00 0.61 N ATOM 553 CA PRO A 38 -5.510 -13.215 -1.709 1.00 0.64 C ATOM 554 C PRO A 38 -6.857 -12.513 -1.915 1.00 0.67 C ATOM 555 O PRO A 38 -7.772 -13.119 -2.463 1.00 0.81 O ATOM 556 CB PRO A 38 -5.562 -14.239 -0.579 1.00 0.75 C ATOM 557 CG PRO A 38 -5.087 -13.479 0.656 1.00 0.84 C ATOM 558 CD PRO A 38 -4.125 -12.436 0.090 1.00 0.82 C ATOM 0 HA PRO A 38 -5.308 -13.678 -2.675 1.00 0.64 H new ATOM 0 HB2 PRO A 38 -6.572 -14.626 -0.442 1.00 0.75 H new ATOM 0 HB3 PRO A 38 -4.919 -15.094 -0.789 1.00 0.75 H new ATOM 0 HG2 PRO A 38 -5.919 -13.012 1.184 1.00 0.84 H new ATOM 0 HG3 PRO A 38 -4.589 -14.139 1.366 1.00 0.84 H new ATOM 0 HD2 PRO A 38 -4.238 -11.484 0.608 1.00 0.82 H new ATOM 0 HD3 PRO A 38 -3.090 -12.751 0.224 1.00 0.82 H new ATOM 566 N VAL A 39 -6.987 -11.251 -1.487 1.00 0.63 N ATOM 567 CA VAL A 39 -8.256 -10.491 -1.521 1.00 0.65 C ATOM 568 C VAL A 39 -8.211 -9.290 -2.480 1.00 0.63 C ATOM 569 O VAL A 39 -8.699 -8.209 -2.164 1.00 0.71 O ATOM 570 CB VAL A 39 -8.753 -10.118 -0.103 1.00 0.72 C ATOM 571 CG1 VAL A 39 -9.082 -11.391 0.696 1.00 0.81 C ATOM 572 CG2 VAL A 39 -7.742 -9.272 0.680 1.00 0.72 C ATOM 0 H VAL A 39 -6.208 -10.717 -1.102 1.00 0.63 H new ATOM 0 HA VAL A 39 -9.005 -11.164 -1.938 1.00 0.65 H new ATOM 0 HB VAL A 39 -9.650 -9.513 -0.237 1.00 0.72 H new ATOM 0 HG11 VAL A 39 -9.430 -11.116 1.691 1.00 0.81 H new ATOM 0 HG12 VAL A 39 -9.861 -11.953 0.181 1.00 0.81 H new ATOM 0 HG13 VAL A 39 -8.187 -12.008 0.782 1.00 0.81 H new ATOM 0 HG21 VAL A 39 -8.146 -9.042 1.666 1.00 0.72 H new ATOM 0 HG22 VAL A 39 -6.811 -9.828 0.790 1.00 0.72 H new ATOM 0 HG23 VAL A 39 -7.549 -8.344 0.141 1.00 0.72 H new ATOM 582 N ALA A 40 -7.681 -9.496 -3.692 1.00 0.59 N ATOM 583 CA ALA A 40 -7.848 -8.585 -4.836 1.00 0.60 C ATOM 584 C ALA A 40 -7.555 -9.297 -6.173 1.00 0.68 C ATOM 585 O ALA A 40 -6.644 -10.123 -6.237 1.00 0.98 O ATOM 586 CB ALA A 40 -6.909 -7.382 -4.664 1.00 0.63 C ATOM 0 H ALA A 40 -7.113 -10.315 -3.911 1.00 0.59 H new ATOM 0 HA ALA A 40 -8.884 -8.248 -4.862 1.00 0.60 H new ATOM 0 HB1 ALA A 40 -7.028 -6.704 -5.509 1.00 0.63 H new ATOM 0 HB2 ALA A 40 -7.154 -6.858 -3.740 1.00 0.63 H new ATOM 0 HB3 ALA A 40 -5.877 -7.729 -4.621 1.00 0.63 H new ATOM 592 N GLU A 41 -8.289 -8.949 -7.234 1.00 0.65 N ATOM 593 CA GLU A 41 -8.036 -9.392 -8.613 1.00 0.78 C ATOM 594 C GLU A 41 -7.027 -8.470 -9.321 1.00 0.72 C ATOM 595 O GLU A 41 -6.066 -8.927 -9.943 1.00 0.86 O ATOM 596 CB GLU A 41 -9.372 -9.400 -9.387 1.00 0.93 C ATOM 597 CG GLU A 41 -9.360 -10.326 -10.610 1.00 1.13 C ATOM 598 CD GLU A 41 -9.517 -11.772 -10.154 1.00 1.72 C ATOM 599 OE1 GLU A 41 -8.536 -12.361 -9.653 1.00 2.92 O ATOM 600 OE2 GLU A 41 -10.661 -12.268 -10.101 1.00 2.42 O ATOM 0 H GLU A 41 -9.099 -8.334 -7.158 1.00 0.65 H new ATOM 0 HA GLU A 41 -7.608 -10.394 -8.587 1.00 0.78 H new ATOM 0 HB2 GLU A 41 -10.172 -9.709 -8.714 1.00 0.93 H new ATOM 0 HB3 GLU A 41 -9.602 -8.385 -9.711 1.00 0.93 H new ATOM 0 HG2 GLU A 41 -10.168 -10.058 -11.290 1.00 1.13 H new ATOM 0 HG3 GLU A 41 -8.427 -10.206 -11.161 1.00 1.13 H new ATOM 607 N ARG A 42 -7.214 -7.148 -9.188 1.00 0.72 N ATOM 608 CA ARG A 42 -6.247 -6.128 -9.573 1.00 0.68 C ATOM 609 C ARG A 42 -5.699 -5.494 -8.301 1.00 0.57 C ATOM 610 O ARG A 42 -6.458 -5.137 -7.401 1.00 0.73 O ATOM 611 CB ARG A 42 -6.907 -5.044 -10.432 1.00 0.87 C ATOM 612 CG ARG A 42 -7.437 -5.575 -11.769 1.00 1.27 C ATOM 613 CD ARG A 42 -8.014 -4.406 -12.566 1.00 1.82 C ATOM 614 NE ARG A 42 -8.631 -4.854 -13.827 1.00 2.80 N ATOM 615 CZ ARG A 42 -9.311 -4.069 -14.654 1.00 3.90 C ATOM 616 NH1 ARG A 42 -9.452 -2.782 -14.402 1.00 4.33 N ATOM 617 NH2 ARG A 42 -9.859 -4.574 -15.741 1.00 5.05 N ATOM 0 H ARG A 42 -8.070 -6.755 -8.797 1.00 0.72 H new ATOM 0 HA ARG A 42 -5.450 -6.588 -10.158 1.00 0.68 H new ATOM 0 HB2 ARG A 42 -7.730 -4.597 -9.874 1.00 0.87 H new ATOM 0 HB3 ARG A 42 -6.184 -4.251 -10.624 1.00 0.87 H new ATOM 0 HG2 ARG A 42 -6.635 -6.055 -12.330 1.00 1.27 H new ATOM 0 HG3 ARG A 42 -8.204 -6.331 -11.598 1.00 1.27 H new ATOM 0 HD2 ARG A 42 -8.758 -3.887 -11.962 1.00 1.82 H new ATOM 0 HD3 ARG A 42 -7.223 -3.689 -12.783 1.00 1.82 H new ATOM 0 HE ARG A 42 -8.528 -5.836 -14.082 1.00 2.80 H new ATOM 0 HH11 ARG A 42 -9.036 -2.378 -13.563 1.00 4.33 H new ATOM 0 HH12 ARG A 42 -9.977 -2.191 -15.046 1.00 4.33 H new ATOM 0 HH21 ARG A 42 -9.761 -5.568 -15.947 1.00 5.05 H new ATOM 0 HH22 ARG A 42 -10.381 -3.971 -16.376 1.00 5.05 H new ATOM 631 N VAL A 43 -4.386 -5.339 -8.265 1.00 0.57 N ATOM 632 CA VAL A 43 -3.653 -4.517 -7.300 1.00 0.54 C ATOM 633 C VAL A 43 -2.887 -3.441 -8.070 1.00 0.69 C ATOM 634 O VAL A 43 -2.294 -3.727 -9.112 1.00 1.09 O ATOM 635 CB VAL A 43 -2.741 -5.377 -6.402 1.00 0.62 C ATOM 636 CG1 VAL A 43 -1.590 -6.070 -7.152 1.00 0.91 C ATOM 637 CG2 VAL A 43 -2.186 -4.582 -5.210 1.00 0.70 C ATOM 0 H VAL A 43 -3.770 -5.800 -8.934 1.00 0.57 H new ATOM 0 HA VAL A 43 -4.349 -4.029 -6.618 1.00 0.54 H new ATOM 0 HB VAL A 43 -3.395 -6.166 -6.031 1.00 0.62 H new ATOM 0 HG11 VAL A 43 -0.997 -6.654 -6.448 1.00 0.91 H new ATOM 0 HG12 VAL A 43 -1.999 -6.730 -7.917 1.00 0.91 H new ATOM 0 HG13 VAL A 43 -0.957 -5.318 -7.623 1.00 0.91 H new ATOM 0 HG21 VAL A 43 -1.550 -5.229 -4.606 1.00 0.70 H new ATOM 0 HG22 VAL A 43 -1.602 -3.738 -5.576 1.00 0.70 H new ATOM 0 HG23 VAL A 43 -3.012 -4.215 -4.601 1.00 0.70 H new ATOM 647 N GLU A 44 -2.953 -2.215 -7.566 1.00 0.48 N ATOM 648 CA GLU A 44 -2.346 -1.007 -8.122 1.00 0.46 C ATOM 649 C GLU A 44 -1.500 -0.339 -7.039 1.00 0.54 C ATOM 650 O GLU A 44 -1.788 -0.470 -5.850 1.00 0.86 O ATOM 651 CB GLU A 44 -3.439 -0.013 -8.546 1.00 0.63 C ATOM 652 CG GLU A 44 -4.300 -0.492 -9.723 1.00 1.17 C ATOM 653 CD GLU A 44 -5.543 0.381 -9.941 1.00 1.99 C ATOM 654 OE1 GLU A 44 -5.563 1.520 -9.418 1.00 3.01 O ATOM 655 OE2 GLU A 44 -6.471 -0.117 -10.622 1.00 2.84 O ATOM 0 H GLU A 44 -3.463 -2.023 -6.704 1.00 0.48 H new ATOM 0 HA GLU A 44 -1.738 -1.280 -8.985 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -4.087 0.184 -7.692 1.00 0.63 H new ATOM 0 HB3 GLU A 44 -2.970 0.933 -8.815 1.00 0.63 H new ATOM 0 HG2 GLU A 44 -3.698 -0.493 -10.632 1.00 1.17 H new ATOM 0 HG3 GLU A 44 -4.611 -1.522 -9.545 1.00 1.17 H new ATOM 662 N LEU A 45 -0.487 0.425 -7.442 1.00 0.52 N ATOM 663 CA LEU A 45 0.337 1.225 -6.537 1.00 0.59 C ATOM 664 C LEU A 45 0.068 2.713 -6.771 1.00 0.52 C ATOM 665 O LEU A 45 0.207 3.208 -7.889 1.00 0.51 O ATOM 666 CB LEU A 45 1.804 0.843 -6.769 1.00 0.89 C ATOM 667 CG LEU A 45 2.799 1.641 -5.908 1.00 0.54 C ATOM 668 CD1 LEU A 45 2.692 1.349 -4.405 1.00 0.89 C ATOM 669 CD2 LEU A 45 4.207 1.300 -6.394 1.00 1.12 C ATOM 0 H LEU A 45 -0.211 0.507 -8.421 1.00 0.52 H new ATOM 0 HA LEU A 45 0.092 1.026 -5.494 1.00 0.59 H new ATOM 0 HB2 LEU A 45 1.930 -0.220 -6.562 1.00 0.89 H new ATOM 0 HB3 LEU A 45 2.047 0.993 -7.821 1.00 0.89 H new ATOM 0 HG LEU A 45 2.566 2.700 -6.024 1.00 0.54 H new ATOM 0 HD11 LEU A 45 3.425 1.949 -3.865 1.00 0.89 H new ATOM 0 HD12 LEU A 45 1.690 1.599 -4.056 1.00 0.89 H new ATOM 0 HD13 LEU A 45 2.885 0.291 -4.225 1.00 0.89 H new ATOM 0 HD21 LEU A 45 4.939 1.850 -5.803 1.00 1.12 H new ATOM 0 HD22 LEU A 45 4.381 0.230 -6.282 1.00 1.12 H new ATOM 0 HD23 LEU A 45 4.306 1.576 -7.444 1.00 1.12 H new ATOM 681 N HIS A 46 -0.306 3.423 -5.710 1.00 0.53 N ATOM 682 CA HIS A 46 -0.706 4.832 -5.704 1.00 0.51 C ATOM 683 C HIS A 46 0.121 5.721 -4.755 1.00 0.52 C ATOM 684 O HIS A 46 0.738 5.276 -3.785 1.00 0.66 O ATOM 685 CB HIS A 46 -2.186 4.941 -5.281 1.00 0.52 C ATOM 686 CG HIS A 46 -3.266 4.463 -6.222 1.00 0.47 C ATOM 687 ND1 HIS A 46 -4.618 4.535 -5.924 1.00 0.47 N ATOM 688 CD2 HIS A 46 -3.143 3.865 -7.441 1.00 0.47 C ATOM 689 CE1 HIS A 46 -5.282 4.012 -6.957 1.00 0.49 C ATOM 690 NE2 HIS A 46 -4.422 3.571 -7.885 1.00 0.48 N ATOM 0 H HIS A 46 -0.341 3.010 -4.778 1.00 0.53 H new ATOM 0 HA HIS A 46 -0.535 5.192 -6.718 1.00 0.51 H new ATOM 0 HB2 HIS A 46 -2.300 4.391 -4.347 1.00 0.52 H new ATOM 0 HB3 HIS A 46 -2.386 5.989 -5.060 1.00 0.52 H new ATOM 0 HD2 HIS A 46 -2.220 3.659 -7.963 1.00 0.47 H new ATOM 0 HE1 HIS A 46 -6.358 3.953 -7.034 1.00 0.49 H new ATOM 0 HE2 HIS A 46 -4.665 3.104 -8.759 1.00 0.48 H new ATOM 698 N GLU A 47 0.028 7.019 -5.032 1.00 0.43 N ATOM 699 CA GLU A 47 0.364 8.144 -4.164 1.00 0.46 C ATOM 700 C GLU A 47 -0.899 8.860 -3.640 1.00 0.48 C ATOM 701 O GLU A 47 -2.024 8.443 -3.928 1.00 0.69 O ATOM 702 CB GLU A 47 1.373 9.053 -4.893 1.00 0.57 C ATOM 703 CG GLU A 47 1.006 9.699 -6.239 1.00 0.91 C ATOM 704 CD GLU A 47 0.062 10.886 -6.165 1.00 1.43 C ATOM 705 OE1 GLU A 47 -1.133 10.665 -5.884 1.00 3.03 O ATOM 706 OE2 GLU A 47 0.483 12.004 -6.540 1.00 2.06 O ATOM 0 H GLU A 47 -0.311 7.336 -5.940 1.00 0.43 H new ATOM 0 HA GLU A 47 0.855 7.791 -3.257 1.00 0.46 H new ATOM 0 HB2 GLU A 47 1.633 9.860 -4.208 1.00 0.57 H new ATOM 0 HB3 GLU A 47 2.278 8.467 -5.053 1.00 0.57 H new ATOM 0 HG2 GLU A 47 1.925 10.019 -6.730 1.00 0.91 H new ATOM 0 HG3 GLU A 47 0.554 8.938 -6.875 1.00 0.91 H new ATOM 713 N THR A 48 -0.715 9.921 -2.845 1.00 0.61 N ATOM 714 CA THR A 48 -1.753 10.867 -2.395 1.00 0.58 C ATOM 715 C THR A 48 -1.056 12.171 -2.011 1.00 0.53 C ATOM 716 O THR A 48 0.078 12.144 -1.529 1.00 0.58 O ATOM 717 CB THR A 48 -2.588 10.286 -1.246 1.00 0.61 C ATOM 718 OG1 THR A 48 -3.410 9.306 -1.816 1.00 0.91 O ATOM 719 CG2 THR A 48 -3.505 11.263 -0.508 1.00 0.63 C ATOM 0 H THR A 48 0.207 10.158 -2.478 1.00 0.61 H new ATOM 0 HA THR A 48 -2.465 11.059 -3.198 1.00 0.58 H new ATOM 0 HB THR A 48 -1.876 9.934 -0.500 1.00 0.61 H new ATOM 0 HG1 THR A 48 -3.148 9.162 -2.749 1.00 0.91 H new ATOM 0 HG21 THR A 48 -4.041 10.734 0.280 1.00 0.63 H new ATOM 0 HG22 THR A 48 -2.907 12.061 -0.068 1.00 0.63 H new ATOM 0 HG23 THR A 48 -4.221 11.691 -1.210 1.00 0.63 H new ATOM 727 N PHE A 49 -1.721 13.301 -2.249 1.00 0.55 N ATOM 728 CA PHE A 49 -1.147 14.649 -2.184 1.00 0.59 C ATOM 729 C PHE A 49 -2.197 15.721 -1.861 1.00 0.54 C ATOM 730 O PHE A 49 -3.401 15.463 -1.850 1.00 0.50 O ATOM 731 CB PHE A 49 -0.418 14.965 -3.508 1.00 0.71 C ATOM 732 CG PHE A 49 -1.274 14.954 -4.769 1.00 0.73 C ATOM 733 CD1 PHE A 49 -1.685 13.736 -5.337 1.00 1.72 C ATOM 734 CD2 PHE A 49 -1.616 16.153 -5.422 1.00 1.94 C ATOM 735 CE1 PHE A 49 -2.442 13.710 -6.513 1.00 1.83 C ATOM 736 CE2 PHE A 49 -2.364 16.129 -6.615 1.00 1.97 C ATOM 737 CZ PHE A 49 -2.780 14.902 -7.165 1.00 0.99 C ATOM 0 H PHE A 49 -2.709 13.306 -2.501 1.00 0.55 H new ATOM 0 HA PHE A 49 -0.430 14.668 -1.363 1.00 0.59 H new ATOM 0 HB2 PHE A 49 0.045 15.947 -3.417 1.00 0.71 H new ATOM 0 HB3 PHE A 49 0.388 14.243 -3.635 1.00 0.71 H new ATOM 0 HD1 PHE A 49 -1.412 12.807 -4.859 1.00 1.72 H new ATOM 0 HD2 PHE A 49 -1.302 17.099 -5.005 1.00 1.94 H new ATOM 0 HE1 PHE A 49 -2.768 12.764 -6.921 1.00 1.83 H new ATOM 0 HE2 PHE A 49 -2.619 17.055 -7.109 1.00 1.97 H new ATOM 0 HZ PHE A 49 -3.354 14.880 -8.080 1.00 0.99 H new ATOM 747 N MET A 50 -1.729 16.954 -1.640 1.00 0.64 N ATOM 748 CA MET A 50 -2.574 18.154 -1.589 1.00 0.67 C ATOM 749 C MET A 50 -2.441 18.961 -2.884 1.00 0.63 C ATOM 750 O MET A 50 -1.363 19.042 -3.466 1.00 0.65 O ATOM 751 CB MET A 50 -2.245 19.028 -0.369 1.00 0.90 C ATOM 752 CG MET A 50 -2.813 18.419 0.921 1.00 2.01 C ATOM 753 SD MET A 50 -2.852 19.523 2.363 1.00 2.48 S ATOM 754 CE MET A 50 -1.082 19.839 2.555 1.00 2.99 C ATOM 0 H MET A 50 -0.739 17.150 -1.489 1.00 0.64 H new ATOM 0 HA MET A 50 -3.608 17.825 -1.487 1.00 0.67 H new ATOM 0 HB2 MET A 50 -1.164 19.137 -0.277 1.00 0.90 H new ATOM 0 HB3 MET A 50 -2.655 20.028 -0.513 1.00 0.90 H new ATOM 0 HG2 MET A 50 -3.828 18.075 0.722 1.00 2.01 H new ATOM 0 HG3 MET A 50 -2.223 17.539 1.176 1.00 2.01 H new ATOM 0 HE1 MET A 50 -0.918 20.477 3.424 1.00 2.99 H new ATOM 0 HE2 MET A 50 -0.557 18.894 2.694 1.00 2.99 H new ATOM 0 HE3 MET A 50 -0.702 20.337 1.663 1.00 2.99 H new ATOM 764 N ARG A 51 -3.555 19.552 -3.317 1.00 0.69 N ATOM 765 CA ARG A 51 -3.690 20.366 -4.531 1.00 0.72 C ATOM 766 C ARG A 51 -4.760 21.447 -4.355 1.00 0.90 C ATOM 767 O ARG A 51 -5.773 21.215 -3.688 1.00 1.12 O ATOM 768 CB ARG A 51 -4.016 19.481 -5.752 1.00 0.84 C ATOM 769 CG ARG A 51 -5.133 18.447 -5.498 1.00 2.29 C ATOM 770 CD ARG A 51 -5.729 17.862 -6.781 1.00 3.05 C ATOM 771 NE ARG A 51 -6.826 16.941 -6.442 1.00 5.31 N ATOM 772 CZ ARG A 51 -7.613 16.251 -7.251 1.00 6.75 C ATOM 773 NH1 ARG A 51 -7.503 16.315 -8.559 1.00 6.50 N ATOM 774 NH2 ARG A 51 -8.526 15.470 -6.711 1.00 8.81 N ATOM 0 H ARG A 51 -4.434 19.473 -2.806 1.00 0.69 H new ATOM 0 HA ARG A 51 -2.734 20.859 -4.707 1.00 0.72 H new ATOM 0 HB2 ARG A 51 -4.310 20.121 -6.584 1.00 0.84 H new ATOM 0 HB3 ARG A 51 -3.112 18.956 -6.059 1.00 0.84 H new ATOM 0 HG2 ARG A 51 -4.734 17.635 -4.890 1.00 2.29 H new ATOM 0 HG3 ARG A 51 -5.928 18.918 -4.920 1.00 2.29 H new ATOM 0 HD2 ARG A 51 -6.099 18.664 -7.420 1.00 3.05 H new ATOM 0 HD3 ARG A 51 -4.959 17.335 -7.344 1.00 3.05 H new ATOM 0 HE ARG A 51 -7.004 16.818 -5.445 1.00 5.31 H new ATOM 0 HH11 ARG A 51 -6.792 16.912 -8.982 1.00 6.50 H new ATOM 0 HH12 ARG A 51 -8.128 15.768 -9.151 1.00 6.50 H new ATOM 0 HH21 ARG A 51 -8.611 15.410 -5.696 1.00 8.81 H new ATOM 0 HH22 ARG A 51 -9.148 14.925 -7.308 1.00 8.81 H new ATOM 788 N GLU A 52 -4.557 22.600 -4.974 1.00 0.92 N ATOM 789 CA GLU A 52 -5.486 23.707 -4.979 1.00 0.99 C ATOM 790 C GLU A 52 -6.511 23.582 -6.105 1.00 1.10 C ATOM 791 O GLU A 52 -6.184 23.101 -7.189 1.00 1.33 O ATOM 792 CB GLU A 52 -4.658 24.993 -5.134 1.00 1.21 C ATOM 793 CG GLU A 52 -5.181 26.079 -4.207 1.00 1.25 C ATOM 794 CD GLU A 52 -5.067 25.731 -2.719 1.00 1.49 C ATOM 795 OE1 GLU A 52 -4.388 24.733 -2.385 1.00 2.75 O ATOM 796 OE2 GLU A 52 -5.753 26.413 -1.930 1.00 1.74 O ATOM 0 H GLU A 52 -3.707 22.792 -5.505 1.00 0.92 H new ATOM 0 HA GLU A 52 -6.055 23.720 -4.049 1.00 0.99 H new ATOM 0 HB2 GLU A 52 -3.611 24.788 -4.909 1.00 1.21 H new ATOM 0 HB3 GLU A 52 -4.700 25.337 -6.167 1.00 1.21 H new ATOM 0 HG2 GLU A 52 -4.632 27.001 -4.398 1.00 1.25 H new ATOM 0 HG3 GLU A 52 -6.226 26.275 -4.446 1.00 1.25 H new ATOM 803 N VAL A 53 -7.735 24.042 -5.849 1.00 1.08 N ATOM 804 CA VAL A 53 -8.858 24.102 -6.799 1.00 1.39 C ATOM 805 C VAL A 53 -9.982 24.928 -6.163 1.00 1.85 C ATOM 806 O VAL A 53 -10.178 24.850 -4.958 1.00 2.02 O ATOM 807 CB VAL A 53 -9.313 22.691 -7.261 1.00 1.38 C ATOM 808 CG1 VAL A 53 -9.612 21.739 -6.092 1.00 3.00 C ATOM 809 CG2 VAL A 53 -10.511 22.758 -8.223 1.00 2.64 C ATOM 0 H VAL A 53 -7.989 24.402 -4.929 1.00 1.08 H new ATOM 0 HA VAL A 53 -8.541 24.596 -7.717 1.00 1.39 H new ATOM 0 HB VAL A 53 -8.463 22.275 -7.802 1.00 1.38 H new ATOM 0 HG11 VAL A 53 -9.925 20.771 -6.482 1.00 3.00 H new ATOM 0 HG12 VAL A 53 -8.715 21.613 -5.486 1.00 3.00 H new ATOM 0 HG13 VAL A 53 -10.409 22.157 -5.477 1.00 3.00 H new ATOM 0 HG21 VAL A 53 -10.796 21.749 -8.521 1.00 2.64 H new ATOM 0 HG22 VAL A 53 -11.352 23.240 -7.724 1.00 2.64 H new ATOM 0 HG23 VAL A 53 -10.236 23.333 -9.107 1.00 2.64 H new ATOM 819 N GLU A 54 -10.624 25.803 -6.952 1.00 2.31 N ATOM 820 CA GLU A 54 -11.604 26.842 -6.544 1.00 2.65 C ATOM 821 C GLU A 54 -10.994 28.056 -5.812 1.00 2.30 C ATOM 822 O GLU A 54 -11.702 28.996 -5.458 1.00 2.31 O ATOM 823 CB GLU A 54 -12.745 26.297 -5.662 1.00 2.91 C ATOM 824 CG GLU A 54 -13.577 25.121 -6.179 1.00 3.74 C ATOM 825 CD GLU A 54 -14.401 24.581 -5.008 1.00 4.23 C ATOM 826 OE1 GLU A 54 -15.292 25.302 -4.497 1.00 4.44 O ATOM 827 OE2 GLU A 54 -14.040 23.511 -4.461 1.00 4.91 O ATOM 0 H GLU A 54 -10.468 25.811 -7.960 1.00 2.31 H new ATOM 0 HA GLU A 54 -11.996 27.174 -7.505 1.00 2.65 H new ATOM 0 HB2 GLU A 54 -12.311 26.000 -4.707 1.00 2.91 H new ATOM 0 HB3 GLU A 54 -13.429 27.121 -5.459 1.00 2.91 H new ATOM 0 HG2 GLU A 54 -14.231 25.443 -6.990 1.00 3.74 H new ATOM 0 HG3 GLU A 54 -12.929 24.342 -6.582 1.00 3.74 H new ATOM 834 N GLY A 55 -9.689 28.014 -5.560 1.00 2.10 N ATOM 835 CA GLY A 55 -9.008 28.859 -4.560 1.00 1.94 C ATOM 836 C GLY A 55 -9.108 28.287 -3.137 1.00 1.55 C ATOM 837 O GLY A 55 -9.207 29.037 -2.172 1.00 1.74 O ATOM 0 H GLY A 55 -9.055 27.383 -6.050 1.00 2.10 H new ATOM 0 HA2 GLY A 55 -7.958 28.964 -4.833 1.00 1.94 H new ATOM 0 HA3 GLY A 55 -9.443 29.858 -4.577 1.00 1.94 H new ATOM 841 N LYS A 56 -9.120 26.957 -3.020 1.00 1.23 N ATOM 842 CA LYS A 56 -9.251 26.168 -1.802 1.00 1.18 C ATOM 843 C LYS A 56 -8.321 24.947 -1.920 1.00 1.00 C ATOM 844 O LYS A 56 -8.182 24.346 -2.991 1.00 0.90 O ATOM 845 CB LYS A 56 -10.713 25.690 -1.641 1.00 1.49 C ATOM 846 CG LYS A 56 -11.739 26.791 -1.302 1.00 2.01 C ATOM 847 CD LYS A 56 -13.173 26.420 -1.726 1.00 2.26 C ATOM 848 CE LYS A 56 -13.701 25.105 -1.131 1.00 4.03 C ATOM 849 NZ LYS A 56 -14.709 24.479 -2.021 1.00 4.41 N ATOM 0 H LYS A 56 -9.031 26.361 -3.843 1.00 1.23 H new ATOM 0 HA LYS A 56 -8.981 26.770 -0.934 1.00 1.18 H new ATOM 0 HB2 LYS A 56 -11.021 25.203 -2.566 1.00 1.49 H new ATOM 0 HB3 LYS A 56 -10.745 24.934 -0.857 1.00 1.49 H new ATOM 0 HG2 LYS A 56 -11.720 26.981 -0.229 1.00 2.01 H new ATOM 0 HG3 LYS A 56 -11.447 27.718 -1.796 1.00 2.01 H new ATOM 0 HD2 LYS A 56 -13.843 27.229 -1.436 1.00 2.26 H new ATOM 0 HD3 LYS A 56 -13.209 26.351 -2.813 1.00 2.26 H new ATOM 0 HE2 LYS A 56 -12.872 24.415 -0.975 1.00 4.03 H new ATOM 0 HE3 LYS A 56 -14.144 25.297 -0.154 1.00 4.03 H new ATOM 0 HZ1 LYS A 56 -15.505 24.129 -1.451 1.00 4.41 H new ATOM 0 HZ2 LYS A 56 -15.055 25.184 -2.703 1.00 4.41 H new ATOM 0 HZ3 LYS A 56 -14.274 23.685 -2.533 1.00 4.41 H new ATOM 863 N LYS A 57 -7.730 24.537 -0.801 1.00 1.04 N ATOM 864 CA LYS A 57 -6.803 23.411 -0.746 1.00 0.97 C ATOM 865 C LYS A 57 -7.563 22.096 -0.524 1.00 0.95 C ATOM 866 O LYS A 57 -8.267 21.920 0.472 1.00 1.23 O ATOM 867 CB LYS A 57 -5.662 23.714 0.246 1.00 1.27 C ATOM 868 CG LYS A 57 -5.950 23.590 1.750 1.00 1.86 C ATOM 869 CD LYS A 57 -5.575 22.193 2.251 1.00 3.61 C ATOM 870 CE LYS A 57 -5.728 22.087 3.768 1.00 5.18 C ATOM 871 NZ LYS A 57 -5.338 20.737 4.243 1.00 7.48 N ATOM 0 H LYS A 57 -7.883 24.983 0.104 1.00 1.04 H new ATOM 0 HA LYS A 57 -6.304 23.269 -1.705 1.00 0.97 H new ATOM 0 HB2 LYS A 57 -4.832 23.048 0.011 1.00 1.27 H new ATOM 0 HB3 LYS A 57 -5.318 24.731 0.056 1.00 1.27 H new ATOM 0 HG2 LYS A 57 -5.385 24.344 2.298 1.00 1.86 H new ATOM 0 HG3 LYS A 57 -7.006 23.781 1.942 1.00 1.86 H new ATOM 0 HD2 LYS A 57 -6.207 21.449 1.767 1.00 3.61 H new ATOM 0 HD3 LYS A 57 -4.546 21.968 1.971 1.00 3.61 H new ATOM 0 HE2 LYS A 57 -5.109 22.841 4.254 1.00 5.18 H new ATOM 0 HE3 LYS A 57 -6.761 22.292 4.049 1.00 5.18 H new ATOM 0 HZ1 LYS A 57 -5.040 20.792 5.238 1.00 7.48 H new ATOM 0 HZ2 LYS A 57 -6.149 20.092 4.160 1.00 7.48 H new ATOM 0 HZ3 LYS A 57 -4.551 20.380 3.665 1.00 7.48 H new ATOM 885 N VAL A 58 -7.412 21.172 -1.462 1.00 0.79 N ATOM 886 CA VAL A 58 -8.092 19.870 -1.549 1.00 0.76 C ATOM 887 C VAL A 58 -7.011 18.774 -1.652 1.00 0.68 C ATOM 888 O VAL A 58 -5.814 19.068 -1.597 1.00 0.83 O ATOM 889 CB VAL A 58 -9.102 19.890 -2.736 1.00 0.83 C ATOM 890 CG1 VAL A 58 -9.969 18.621 -2.860 1.00 2.27 C ATOM 891 CG2 VAL A 58 -10.078 21.076 -2.594 1.00 2.29 C ATOM 0 H VAL A 58 -6.768 21.314 -2.240 1.00 0.79 H new ATOM 0 HA VAL A 58 -8.686 19.654 -0.661 1.00 0.76 H new ATOM 0 HB VAL A 58 -8.474 19.967 -3.624 1.00 0.83 H new ATOM 0 HG11 VAL A 58 -10.642 18.722 -3.712 1.00 2.27 H new ATOM 0 HG12 VAL A 58 -9.325 17.754 -3.007 1.00 2.27 H new ATOM 0 HG13 VAL A 58 -10.553 18.489 -1.949 1.00 2.27 H new ATOM 0 HG21 VAL A 58 -10.776 21.075 -3.431 1.00 2.29 H new ATOM 0 HG22 VAL A 58 -10.631 20.982 -1.660 1.00 2.29 H new ATOM 0 HG23 VAL A 58 -9.517 22.011 -2.591 1.00 2.29 H new ATOM 901 N MET A 59 -7.393 17.500 -1.749 1.00 0.68 N ATOM 902 CA MET A 59 -6.472 16.371 -1.942 1.00 0.67 C ATOM 903 C MET A 59 -6.649 15.686 -3.297 1.00 0.80 C ATOM 904 O MET A 59 -7.672 15.829 -3.973 1.00 1.14 O ATOM 905 CB MET A 59 -6.586 15.365 -0.787 1.00 0.85 C ATOM 906 CG MET A 59 -6.068 16.011 0.505 1.00 0.89 C ATOM 907 SD MET A 59 -5.772 14.932 1.933 1.00 2.14 S ATOM 908 CE MET A 59 -6.978 13.602 1.679 1.00 4.12 C ATOM 0 H MET A 59 -8.371 17.215 -1.695 1.00 0.68 H new ATOM 0 HA MET A 59 -5.464 16.785 -1.938 1.00 0.67 H new ATOM 0 HB2 MET A 59 -7.623 15.055 -0.661 1.00 0.85 H new ATOM 0 HB3 MET A 59 -6.011 14.467 -1.014 1.00 0.85 H new ATOM 0 HG2 MET A 59 -5.134 16.522 0.272 1.00 0.89 H new ATOM 0 HG3 MET A 59 -6.783 16.776 0.806 1.00 0.89 H new ATOM 0 HE1 MET A 59 -6.971 12.935 2.541 1.00 4.12 H new ATOM 0 HE2 MET A 59 -7.973 14.031 1.561 1.00 4.12 H new ATOM 0 HE3 MET A 59 -6.716 13.040 0.783 1.00 4.12 H new ATOM 918 N GLY A 60 -5.619 14.955 -3.715 1.00 0.68 N ATOM 919 CA GLY A 60 -5.603 14.105 -4.901 1.00 0.77 C ATOM 920 C GLY A 60 -4.919 12.775 -4.612 1.00 0.58 C ATOM 921 O GLY A 60 -4.239 12.628 -3.603 1.00 0.58 O ATOM 0 H GLY A 60 -4.732 14.939 -3.212 1.00 0.68 H new ATOM 0 HA2 GLY A 60 -6.624 13.927 -5.239 1.00 0.77 H new ATOM 0 HA3 GLY A 60 -5.084 14.616 -5.712 1.00 0.77 H new ATOM 925 N MET A 61 -5.109 11.824 -5.521 1.00 0.50 N ATOM 926 CA MET A 61 -4.502 10.493 -5.530 1.00 0.47 C ATOM 927 C MET A 61 -4.326 10.053 -6.978 1.00 0.48 C ATOM 928 O MET A 61 -5.178 10.342 -7.822 1.00 0.53 O ATOM 929 CB MET A 61 -5.417 9.552 -4.737 1.00 0.52 C ATOM 930 CG MET A 61 -5.238 8.049 -5.007 1.00 0.49 C ATOM 931 SD MET A 61 -6.534 6.952 -4.344 1.00 0.52 S ATOM 932 CE MET A 61 -6.925 7.805 -2.797 1.00 0.81 C ATOM 0 H MET A 61 -5.727 11.968 -6.319 1.00 0.50 H new ATOM 0 HA MET A 61 -3.518 10.485 -5.061 1.00 0.47 H new ATOM 0 HB2 MET A 61 -5.255 9.731 -3.674 1.00 0.52 H new ATOM 0 HB3 MET A 61 -6.452 9.818 -4.951 1.00 0.52 H new ATOM 0 HG2 MET A 61 -5.181 7.899 -6.085 1.00 0.49 H new ATOM 0 HG3 MET A 61 -4.280 7.738 -4.591 1.00 0.49 H new ATOM 0 HE1 MET A 61 -7.496 7.140 -2.149 1.00 0.81 H new ATOM 0 HE2 MET A 61 -6.000 8.093 -2.297 1.00 0.81 H new ATOM 0 HE3 MET A 61 -7.514 8.696 -3.012 1.00 0.81 H new ATOM 942 N ARG A 62 -3.213 9.380 -7.253 1.00 0.48 N ATOM 943 CA ARG A 62 -2.732 9.027 -8.586 1.00 0.52 C ATOM 944 C ARG A 62 -1.931 7.714 -8.506 1.00 0.50 C ATOM 945 O ARG A 62 -1.345 7.433 -7.458 1.00 0.50 O ATOM 946 CB ARG A 62 -1.834 10.172 -9.099 1.00 0.63 C ATOM 947 CG ARG A 62 -2.589 11.407 -9.598 1.00 1.19 C ATOM 948 CD ARG A 62 -1.608 12.462 -10.133 1.00 1.68 C ATOM 949 NE ARG A 62 -0.627 12.904 -9.121 1.00 3.06 N ATOM 950 CZ ARG A 62 0.402 13.720 -9.298 1.00 4.41 C ATOM 951 NH1 ARG A 62 0.672 14.280 -10.461 1.00 4.62 N ATOM 952 NH2 ARG A 62 1.181 13.962 -8.274 1.00 5.77 N ATOM 0 H ARG A 62 -2.590 9.049 -6.516 1.00 0.48 H new ATOM 0 HA ARG A 62 -3.568 8.885 -9.270 1.00 0.52 H new ATOM 0 HB2 ARG A 62 -1.161 10.475 -8.296 1.00 0.63 H new ATOM 0 HB3 ARG A 62 -1.212 9.792 -9.910 1.00 0.63 H new ATOM 0 HG2 ARG A 62 -3.287 11.120 -10.384 1.00 1.19 H new ATOM 0 HG3 ARG A 62 -3.180 11.831 -8.786 1.00 1.19 H new ATOM 0 HD2 ARG A 62 -1.076 12.053 -10.992 1.00 1.68 H new ATOM 0 HD3 ARG A 62 -2.170 13.326 -10.488 1.00 1.68 H new ATOM 0 HE ARG A 62 -0.757 12.539 -8.177 1.00 3.06 H new ATOM 0 HH11 ARG A 62 0.078 14.091 -11.268 1.00 4.62 H new ATOM 0 HH12 ARG A 62 1.475 14.902 -10.553 1.00 4.62 H new ATOM 0 HH21 ARG A 62 0.988 13.527 -7.372 1.00 5.77 H new ATOM 0 HH22 ARG A 62 1.981 14.586 -8.378 1.00 5.77 H new ATOM 966 N PRO A 63 -1.886 6.897 -9.574 1.00 0.51 N ATOM 967 CA PRO A 63 -1.023 5.725 -9.615 1.00 0.51 C ATOM 968 C PRO A 63 0.438 6.129 -9.834 1.00 0.52 C ATOM 969 O PRO A 63 0.706 7.190 -10.394 1.00 0.53 O ATOM 970 CB PRO A 63 -1.564 4.867 -10.754 1.00 0.53 C ATOM 971 CG PRO A 63 -2.101 5.911 -11.734 1.00 0.56 C ATOM 972 CD PRO A 63 -2.639 7.011 -10.814 1.00 0.56 C ATOM 0 HA PRO A 63 -1.030 5.173 -8.675 1.00 0.51 H new ATOM 0 HB2 PRO A 63 -0.784 4.252 -11.204 1.00 0.53 H new ATOM 0 HB3 PRO A 63 -2.347 4.190 -10.414 1.00 0.53 H new ATOM 0 HG2 PRO A 63 -1.318 6.285 -12.393 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -2.884 5.500 -12.371 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -2.506 7.995 -11.263 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -3.707 6.884 -10.636 1.00 0.56 H new ATOM 980 N VAL A 64 1.373 5.278 -9.400 1.00 0.53 N ATOM 981 CA VAL A 64 2.829 5.464 -9.564 1.00 0.55 C ATOM 982 C VAL A 64 3.484 4.139 -10.000 1.00 0.54 C ATOM 983 O VAL A 64 2.937 3.077 -9.696 1.00 0.52 O ATOM 984 CB VAL A 64 3.501 6.027 -8.284 1.00 0.58 C ATOM 985 CG1 VAL A 64 2.981 7.435 -7.968 1.00 0.61 C ATOM 986 CG2 VAL A 64 3.336 5.134 -7.048 1.00 0.77 C ATOM 0 H VAL A 64 1.137 4.415 -8.910 1.00 0.53 H new ATOM 0 HA VAL A 64 2.982 6.209 -10.345 1.00 0.55 H new ATOM 0 HB VAL A 64 4.567 6.060 -8.510 1.00 0.58 H new ATOM 0 HG11 VAL A 64 3.467 7.808 -7.066 1.00 0.61 H new ATOM 0 HG12 VAL A 64 3.203 8.101 -8.802 1.00 0.61 H new ATOM 0 HG13 VAL A 64 1.903 7.398 -7.811 1.00 0.61 H new ATOM 0 HG21 VAL A 64 3.833 5.597 -6.196 1.00 0.77 H new ATOM 0 HG22 VAL A 64 2.276 5.011 -6.827 1.00 0.77 H new ATOM 0 HG23 VAL A 64 3.781 4.158 -7.242 1.00 0.77 H new ATOM 996 N PRO A 65 4.624 4.169 -10.724 1.00 0.59 N ATOM 997 CA PRO A 65 5.225 2.978 -11.326 1.00 0.60 C ATOM 998 C PRO A 65 5.983 2.118 -10.313 1.00 0.54 C ATOM 999 O PRO A 65 6.179 0.934 -10.567 1.00 0.56 O ATOM 1000 CB PRO A 65 6.148 3.514 -12.423 1.00 0.69 C ATOM 1001 CG PRO A 65 6.613 4.855 -11.864 1.00 0.70 C ATOM 1002 CD PRO A 65 5.390 5.351 -11.094 1.00 0.65 C ATOM 0 HA PRO A 65 4.461 2.309 -11.722 1.00 0.60 H new ATOM 0 HB2 PRO A 65 6.986 2.842 -12.607 1.00 0.69 H new ATOM 0 HB3 PRO A 65 5.621 3.633 -13.370 1.00 0.69 H new ATOM 0 HG2 PRO A 65 7.480 4.742 -11.214 1.00 0.70 H new ATOM 0 HG3 PRO A 65 6.897 5.546 -12.658 1.00 0.70 H new ATOM 0 HD2 PRO A 65 5.691 5.911 -10.208 1.00 0.65 H new ATOM 0 HD3 PRO A 65 4.792 6.024 -11.709 1.00 0.65 H new ATOM 1010 N PHE A 66 6.393 2.711 -9.186 1.00 0.48 N ATOM 1011 CA PHE A 66 7.125 2.085 -8.083 1.00 0.42 C ATOM 1012 C PHE A 66 7.300 3.074 -6.912 1.00 0.41 C ATOM 1013 O PHE A 66 6.988 4.260 -7.038 1.00 0.56 O ATOM 1014 CB PHE A 66 8.474 1.511 -8.567 1.00 0.43 C ATOM 1015 CG PHE A 66 9.438 2.539 -9.104 1.00 0.44 C ATOM 1016 CD1 PHE A 66 10.313 3.195 -8.225 1.00 1.71 C ATOM 1017 CD2 PHE A 66 9.443 2.850 -10.471 1.00 1.85 C ATOM 1018 CE1 PHE A 66 11.176 4.191 -8.696 1.00 1.68 C ATOM 1019 CE2 PHE A 66 10.329 3.832 -10.957 1.00 1.91 C ATOM 1020 CZ PHE A 66 11.190 4.508 -10.068 1.00 0.54 C ATOM 0 H PHE A 66 6.211 3.699 -9.011 1.00 0.48 H new ATOM 0 HA PHE A 66 6.538 1.245 -7.712 1.00 0.42 H new ATOM 0 HB2 PHE A 66 8.948 0.985 -7.738 1.00 0.43 H new ATOM 0 HB3 PHE A 66 8.281 0.772 -9.345 1.00 0.43 H new ATOM 0 HD1 PHE A 66 10.321 2.930 -7.178 1.00 1.71 H new ATOM 0 HD2 PHE A 66 8.772 2.340 -11.147 1.00 1.85 H new ATOM 0 HE1 PHE A 66 11.827 4.713 -8.011 1.00 1.68 H new ATOM 0 HE2 PHE A 66 10.349 4.067 -12.011 1.00 1.91 H new ATOM 0 HZ PHE A 66 11.860 5.269 -10.439 1.00 0.54 H new ATOM 1030 N LEU A 67 7.850 2.583 -5.794 1.00 0.39 N ATOM 1031 CA LEU A 67 8.480 3.356 -4.719 1.00 0.45 C ATOM 1032 C LEU A 67 9.944 2.931 -4.568 1.00 0.49 C ATOM 1033 O LEU A 67 10.296 1.788 -4.860 1.00 0.49 O ATOM 1034 CB LEU A 67 7.794 3.110 -3.360 1.00 0.49 C ATOM 1035 CG LEU A 67 6.264 3.199 -3.297 1.00 0.44 C ATOM 1036 CD1 LEU A 67 5.839 2.945 -1.846 1.00 0.49 C ATOM 1037 CD2 LEU A 67 5.736 4.552 -3.760 1.00 0.46 C ATOM 0 H LEU A 67 7.868 1.581 -5.606 1.00 0.39 H new ATOM 0 HA LEU A 67 8.391 4.408 -4.988 1.00 0.45 H new ATOM 0 HB2 LEU A 67 8.085 2.118 -3.014 1.00 0.49 H new ATOM 0 HB3 LEU A 67 8.200 3.828 -2.647 1.00 0.49 H new ATOM 0 HG LEU A 67 5.844 2.454 -3.972 1.00 0.44 H new ATOM 0 HD11 LEU A 67 4.753 3.002 -1.770 1.00 0.49 H new ATOM 0 HD12 LEU A 67 6.173 1.954 -1.537 1.00 0.49 H new ATOM 0 HD13 LEU A 67 6.288 3.698 -1.198 1.00 0.49 H new ATOM 0 HD21 LEU A 67 4.648 4.560 -3.695 1.00 0.46 H new ATOM 0 HD22 LEU A 67 6.143 5.338 -3.124 1.00 0.46 H new ATOM 0 HD23 LEU A 67 6.039 4.727 -4.792 1.00 0.46 H new ATOM 1049 N GLU A 68 10.777 3.831 -4.054 1.00 0.56 N ATOM 1050 CA GLU A 68 12.194 3.592 -3.760 1.00 0.63 C ATOM 1051 C GLU A 68 12.413 3.634 -2.249 1.00 0.66 C ATOM 1052 O GLU A 68 11.791 4.455 -1.574 1.00 0.72 O ATOM 1053 CB GLU A 68 13.037 4.705 -4.411 1.00 0.82 C ATOM 1054 CG GLU A 68 14.553 4.484 -4.281 1.00 0.85 C ATOM 1055 CD GLU A 68 15.089 3.576 -5.398 1.00 0.75 C ATOM 1056 OE1 GLU A 68 14.389 2.630 -5.818 1.00 1.71 O ATOM 1057 OE2 GLU A 68 16.174 3.865 -5.947 1.00 1.69 O ATOM 0 H GLU A 68 10.479 4.778 -3.822 1.00 0.56 H new ATOM 0 HA GLU A 68 12.488 2.618 -4.151 1.00 0.63 H new ATOM 0 HB2 GLU A 68 12.778 4.775 -5.467 1.00 0.82 H new ATOM 0 HB3 GLU A 68 12.777 5.660 -3.955 1.00 0.82 H new ATOM 0 HG2 GLU A 68 15.066 5.445 -4.315 1.00 0.85 H new ATOM 0 HG3 GLU A 68 14.775 4.039 -3.311 1.00 0.85 H new ATOM 1064 N VAL A 69 13.330 2.807 -1.731 1.00 0.68 N ATOM 1065 CA VAL A 69 13.772 2.869 -0.335 1.00 0.74 C ATOM 1066 C VAL A 69 15.301 2.703 -0.186 1.00 0.85 C ATOM 1067 O VAL A 69 15.884 1.875 -0.888 1.00 0.98 O ATOM 1068 CB VAL A 69 13.025 1.813 0.535 1.00 0.69 C ATOM 1069 CG1 VAL A 69 13.186 2.077 2.044 1.00 0.89 C ATOM 1070 CG2 VAL A 69 11.507 1.739 0.271 1.00 0.76 C ATOM 0 H VAL A 69 13.787 2.073 -2.272 1.00 0.68 H new ATOM 0 HA VAL A 69 13.520 3.867 0.024 1.00 0.74 H new ATOM 0 HB VAL A 69 13.494 0.874 0.241 1.00 0.69 H new ATOM 0 HG11 VAL A 69 12.647 1.314 2.606 1.00 0.89 H new ATOM 0 HG12 VAL A 69 14.243 2.044 2.308 1.00 0.89 H new ATOM 0 HG13 VAL A 69 12.782 3.060 2.287 1.00 0.89 H new ATOM 0 HG21 VAL A 69 11.062 0.981 0.916 1.00 0.76 H new ATOM 0 HG22 VAL A 69 11.053 2.707 0.483 1.00 0.76 H new ATOM 0 HG23 VAL A 69 11.332 1.476 -0.772 1.00 0.76 H new ATOM 1080 N PRO A 70 15.965 3.480 0.703 1.00 0.94 N ATOM 1081 CA PRO A 70 17.386 3.340 1.016 1.00 1.08 C ATOM 1082 C PRO A 70 17.648 2.248 2.076 1.00 1.18 C ATOM 1083 O PRO A 70 16.763 1.955 2.883 1.00 1.28 O ATOM 1084 CB PRO A 70 17.813 4.718 1.533 1.00 1.20 C ATOM 1085 CG PRO A 70 16.556 5.218 2.242 1.00 1.16 C ATOM 1086 CD PRO A 70 15.434 4.668 1.365 1.00 1.01 C ATOM 0 HA PRO A 70 17.953 3.028 0.139 1.00 1.08 H new ATOM 0 HB2 PRO A 70 18.661 4.649 2.214 1.00 1.20 H new ATOM 0 HB3 PRO A 70 18.110 5.381 0.720 1.00 1.20 H new ATOM 0 HG2 PRO A 70 16.492 4.844 3.264 1.00 1.16 H new ATOM 0 HG3 PRO A 70 16.529 6.306 2.299 1.00 1.16 H new ATOM 0 HD2 PRO A 70 14.560 4.418 1.966 1.00 1.01 H new ATOM 0 HD3 PRO A 70 15.116 5.410 0.633 1.00 1.01 H new ATOM 1094 N PRO A 71 18.866 1.669 2.116 1.00 1.20 N ATOM 1095 CA PRO A 71 19.198 0.499 2.926 1.00 1.13 C ATOM 1096 C PRO A 71 19.083 0.702 4.436 1.00 1.12 C ATOM 1097 O PRO A 71 19.484 1.733 4.972 1.00 1.21 O ATOM 1098 CB PRO A 71 20.611 0.093 2.519 1.00 1.16 C ATOM 1099 CG PRO A 71 21.212 1.354 1.912 1.00 1.27 C ATOM 1100 CD PRO A 71 19.999 2.009 1.266 1.00 1.24 C ATOM 0 HA PRO A 71 18.466 -0.284 2.730 1.00 1.13 H new ATOM 0 HB2 PRO A 71 21.189 -0.248 3.378 1.00 1.16 H new ATOM 0 HB3 PRO A 71 20.597 -0.726 1.799 1.00 1.16 H new ATOM 0 HG2 PRO A 71 21.666 1.994 2.669 1.00 1.27 H new ATOM 0 HG3 PRO A 71 21.988 1.125 1.182 1.00 1.27 H new ATOM 0 HD2 PRO A 71 20.127 3.089 1.199 1.00 1.24 H new ATOM 0 HD3 PRO A 71 19.850 1.642 0.251 1.00 1.24 H new ATOM 1108 N LYS A 72 18.538 -0.319 5.118 1.00 1.09 N ATOM 1109 CA LYS A 72 18.418 -0.468 6.581 1.00 1.11 C ATOM 1110 C LYS A 72 17.471 0.525 7.270 1.00 1.24 C ATOM 1111 O LYS A 72 17.184 0.432 8.463 1.00 1.40 O ATOM 1112 CB LYS A 72 19.812 -0.552 7.188 1.00 1.24 C ATOM 1113 CG LYS A 72 20.479 -1.762 6.512 1.00 1.63 C ATOM 1114 CD LYS A 72 21.596 -2.300 7.364 1.00 1.41 C ATOM 1115 CE LYS A 72 22.844 -1.423 7.231 1.00 2.32 C ATOM 1116 NZ LYS A 72 24.069 -2.188 7.544 1.00 3.19 N ATOM 0 H LYS A 72 18.141 -1.120 4.628 1.00 1.09 H new ATOM 0 HA LYS A 72 17.902 -1.408 6.777 1.00 1.11 H new ATOM 0 HB2 LYS A 72 20.377 0.362 7.003 1.00 1.24 H new ATOM 0 HB3 LYS A 72 19.763 -0.683 8.269 1.00 1.24 H new ATOM 0 HG2 LYS A 72 19.738 -2.543 6.340 1.00 1.63 H new ATOM 0 HG3 LYS A 72 20.868 -1.471 5.536 1.00 1.63 H new ATOM 0 HD2 LYS A 72 21.280 -2.337 8.407 1.00 1.41 H new ATOM 0 HD3 LYS A 72 21.829 -3.322 7.065 1.00 1.41 H new ATOM 0 HE2 LYS A 72 22.908 -1.028 6.217 1.00 2.32 H new ATOM 0 HE3 LYS A 72 22.764 -0.568 7.902 1.00 2.32 H new ATOM 0 HZ1 LYS A 72 24.476 -1.842 8.436 1.00 3.19 H new ATOM 0 HZ2 LYS A 72 23.834 -3.197 7.639 1.00 3.19 H new ATOM 0 HZ3 LYS A 72 24.761 -2.065 6.777 1.00 3.19 H new ATOM 1130 N GLY A 73 16.932 1.420 6.458 1.00 1.33 N ATOM 1131 CA GLY A 73 15.814 2.318 6.742 1.00 1.46 C ATOM 1132 C GLY A 73 14.455 1.617 6.644 1.00 1.27 C ATOM 1133 O GLY A 73 14.348 0.437 6.302 1.00 1.21 O ATOM 0 H GLY A 73 17.288 1.551 5.511 1.00 1.33 H new ATOM 0 HA2 GLY A 73 15.932 2.734 7.742 1.00 1.46 H new ATOM 0 HA3 GLY A 73 15.838 3.154 6.044 1.00 1.46 H new ATOM 1137 N ARG A 74 13.396 2.368 6.969 1.00 1.35 N ATOM 1138 CA ARG A 74 11.998 1.910 6.970 1.00 1.27 C ATOM 1139 C ARG A 74 11.033 3.077 6.786 1.00 1.85 C ATOM 1140 O ARG A 74 11.288 4.166 7.301 1.00 2.40 O ATOM 1141 CB ARG A 74 11.678 1.122 8.256 1.00 1.47 C ATOM 1142 CG ARG A 74 11.648 1.959 9.554 1.00 1.81 C ATOM 1143 CD ARG A 74 10.257 2.425 10.027 1.00 1.97 C ATOM 1144 NE ARG A 74 10.056 2.038 11.437 1.00 2.67 N ATOM 1145 CZ ARG A 74 8.912 1.797 12.069 1.00 3.37 C ATOM 1146 NH1 ARG A 74 7.727 2.072 11.569 1.00 3.82 N ATOM 1147 NH2 ARG A 74 8.949 1.246 13.260 1.00 4.19 N ATOM 0 H ARG A 74 13.490 3.345 7.248 1.00 1.35 H new ATOM 0 HA ARG A 74 11.867 1.238 6.122 1.00 1.27 H new ATOM 0 HB2 ARG A 74 10.709 0.637 8.134 1.00 1.47 H new ATOM 0 HB3 ARG A 74 12.418 0.330 8.371 1.00 1.47 H new ATOM 0 HG2 ARG A 74 12.103 1.372 10.352 1.00 1.81 H new ATOM 0 HG3 ARG A 74 12.274 2.839 9.409 1.00 1.81 H new ATOM 0 HD2 ARG A 74 10.169 3.506 9.920 1.00 1.97 H new ATOM 0 HD3 ARG A 74 9.482 1.979 9.403 1.00 1.97 H new ATOM 0 HE ARG A 74 10.903 1.943 11.998 1.00 2.67 H new ATOM 0 HH11 ARG A 74 7.649 2.495 10.644 1.00 3.82 H new ATOM 0 HH12 ARG A 74 6.886 1.862 12.106 1.00 3.82 H new ATOM 0 HH21 ARG A 74 9.846 1.010 13.685 1.00 4.19 H new ATOM 0 HH22 ARG A 74 8.081 1.054 13.760 1.00 4.19 H new ATOM 1161 N VAL A 75 9.935 2.831 6.075 1.00 1.93 N ATOM 1162 CA VAL A 75 8.893 3.807 5.711 1.00 2.59 C ATOM 1163 C VAL A 75 7.586 3.037 5.499 1.00 2.00 C ATOM 1164 O VAL A 75 7.574 2.070 4.752 1.00 1.77 O ATOM 1165 CB VAL A 75 9.244 4.576 4.405 1.00 3.42 C ATOM 1166 CG1 VAL A 75 8.161 5.611 4.058 1.00 4.17 C ATOM 1167 CG2 VAL A 75 10.593 5.317 4.467 1.00 4.04 C ATOM 0 H VAL A 75 9.731 1.899 5.715 1.00 1.93 H new ATOM 0 HA VAL A 75 8.806 4.542 6.511 1.00 2.59 H new ATOM 0 HB VAL A 75 9.307 3.803 3.639 1.00 3.42 H new ATOM 0 HG11 VAL A 75 8.436 6.131 3.141 1.00 4.17 H new ATOM 0 HG12 VAL A 75 7.206 5.105 3.916 1.00 4.17 H new ATOM 0 HG13 VAL A 75 8.072 6.331 4.871 1.00 4.17 H new ATOM 0 HG21 VAL A 75 10.770 5.830 3.522 1.00 4.04 H new ATOM 0 HG22 VAL A 75 10.571 6.046 5.277 1.00 4.04 H new ATOM 0 HG23 VAL A 75 11.394 4.600 4.646 1.00 4.04 H new ATOM 1177 N GLU A 76 6.497 3.429 6.152 1.00 2.02 N ATOM 1178 CA GLU A 76 5.160 2.867 5.905 1.00 1.53 C ATOM 1179 C GLU A 76 4.512 3.477 4.649 1.00 1.20 C ATOM 1180 O GLU A 76 4.740 4.643 4.317 1.00 1.27 O ATOM 1181 CB GLU A 76 4.246 3.044 7.135 1.00 1.91 C ATOM 1182 CG GLU A 76 4.474 4.390 7.841 1.00 2.75 C ATOM 1183 CD GLU A 76 3.227 4.958 8.528 1.00 3.89 C ATOM 1184 OE1 GLU A 76 2.147 4.954 7.893 1.00 5.09 O ATOM 1185 OE2 GLU A 76 3.393 5.504 9.638 1.00 4.32 O ATOM 0 H GLU A 76 6.510 4.150 6.874 1.00 2.02 H new ATOM 0 HA GLU A 76 5.285 1.799 5.726 1.00 1.53 H new ATOM 0 HB2 GLU A 76 3.204 2.971 6.824 1.00 1.91 H new ATOM 0 HB3 GLU A 76 4.426 2.232 7.839 1.00 1.91 H new ATOM 0 HG2 GLU A 76 5.261 4.269 8.585 1.00 2.75 H new ATOM 0 HG3 GLU A 76 4.834 5.114 7.111 1.00 2.75 H new ATOM 1192 N LEU A 77 3.664 2.692 3.968 1.00 0.95 N ATOM 1193 CA LEU A 77 2.742 3.184 2.950 1.00 0.80 C ATOM 1194 C LEU A 77 1.590 3.932 3.646 1.00 1.15 C ATOM 1195 O LEU A 77 0.473 3.439 3.802 1.00 2.22 O ATOM 1196 CB LEU A 77 2.297 2.037 2.017 1.00 0.62 C ATOM 1197 CG LEU A 77 3.292 1.738 0.871 1.00 0.63 C ATOM 1198 CD1 LEU A 77 4.367 0.704 1.225 1.00 0.73 C ATOM 1199 CD2 LEU A 77 2.529 1.275 -0.374 1.00 0.95 C ATOM 0 H LEU A 77 3.604 1.685 4.116 1.00 0.95 H new ATOM 0 HA LEU A 77 3.230 3.902 2.291 1.00 0.80 H new ATOM 0 HB2 LEU A 77 2.159 1.133 2.610 1.00 0.62 H new ATOM 0 HB3 LEU A 77 1.327 2.287 1.587 1.00 0.62 H new ATOM 0 HG LEU A 77 3.818 2.674 0.681 1.00 0.63 H new ATOM 0 HD11 LEU A 77 5.023 0.553 0.367 1.00 0.73 H new ATOM 0 HD12 LEU A 77 4.953 1.063 2.071 1.00 0.73 H new ATOM 0 HD13 LEU A 77 3.891 -0.240 1.489 1.00 0.73 H new ATOM 0 HD21 LEU A 77 3.236 1.066 -1.177 1.00 0.95 H new ATOM 0 HD22 LEU A 77 1.967 0.371 -0.141 1.00 0.95 H new ATOM 0 HD23 LEU A 77 1.841 2.058 -0.691 1.00 0.95 H new ATOM 1211 N LYS A 78 1.923 5.130 4.128 1.00 0.85 N ATOM 1212 CA LYS A 78 1.072 5.948 4.988 1.00 1.05 C ATOM 1213 C LYS A 78 -0.230 6.402 4.297 1.00 0.92 C ATOM 1214 O LYS A 78 -0.197 6.797 3.125 1.00 0.82 O ATOM 1215 CB LYS A 78 1.900 7.137 5.518 1.00 1.37 C ATOM 1216 CG LYS A 78 2.342 8.136 4.434 1.00 1.20 C ATOM 1217 CD LYS A 78 3.369 9.121 5.010 1.00 1.83 C ATOM 1218 CE LYS A 78 3.936 10.049 3.928 1.00 2.95 C ATOM 1219 NZ LYS A 78 3.006 11.152 3.570 1.00 5.04 N ATOM 0 H LYS A 78 2.820 5.570 3.923 1.00 0.85 H new ATOM 0 HA LYS A 78 0.739 5.337 5.827 1.00 1.05 H new ATOM 0 HB2 LYS A 78 1.313 7.668 6.267 1.00 1.37 H new ATOM 0 HB3 LYS A 78 2.786 6.751 6.023 1.00 1.37 H new ATOM 0 HG2 LYS A 78 2.775 7.600 3.589 1.00 1.20 H new ATOM 0 HG3 LYS A 78 1.477 8.681 4.056 1.00 1.20 H new ATOM 0 HD2 LYS A 78 2.901 9.718 5.792 1.00 1.83 H new ATOM 0 HD3 LYS A 78 4.183 8.566 5.476 1.00 1.83 H new ATOM 0 HE2 LYS A 78 4.878 10.473 4.276 1.00 2.95 H new ATOM 0 HE3 LYS A 78 4.160 9.465 3.036 1.00 2.95 H new ATOM 0 HZ1 LYS A 78 3.360 11.644 2.725 1.00 5.04 H new ATOM 0 HZ2 LYS A 78 2.063 10.761 3.373 1.00 5.04 H new ATOM 0 HZ3 LYS A 78 2.944 11.824 4.361 1.00 5.04 H new ATOM 1233 N PRO A 79 -1.362 6.471 5.030 1.00 1.20 N ATOM 1234 CA PRO A 79 -2.661 6.851 4.471 1.00 1.42 C ATOM 1235 C PRO A 79 -2.712 8.286 3.932 1.00 1.39 C ATOM 1236 O PRO A 79 -3.554 8.570 3.087 1.00 2.31 O ATOM 1237 CB PRO A 79 -3.670 6.647 5.607 1.00 1.83 C ATOM 1238 CG PRO A 79 -2.818 6.862 6.856 1.00 1.81 C ATOM 1239 CD PRO A 79 -1.502 6.198 6.456 1.00 1.55 C ATOM 0 HA PRO A 79 -2.882 6.237 3.598 1.00 1.42 H new ATOM 0 HB2 PRO A 79 -4.493 7.360 5.551 1.00 1.83 H new ATOM 0 HB3 PRO A 79 -4.110 5.650 5.584 1.00 1.83 H new ATOM 0 HG2 PRO A 79 -2.689 7.920 7.085 1.00 1.81 H new ATOM 0 HG3 PRO A 79 -3.260 6.396 7.737 1.00 1.81 H new ATOM 0 HD2 PRO A 79 -0.665 6.608 7.021 1.00 1.55 H new ATOM 0 HD3 PRO A 79 -1.525 5.126 6.653 1.00 1.55 H new ATOM 1247 N GLY A 80 -1.811 9.174 4.370 1.00 1.00 N ATOM 1248 CA GLY A 80 -1.633 10.519 3.805 1.00 1.12 C ATOM 1249 C GLY A 80 -0.549 10.552 2.724 1.00 1.04 C ATOM 1250 O GLY A 80 0.371 11.370 2.815 1.00 1.77 O ATOM 0 H GLY A 80 -1.173 8.975 5.141 1.00 1.00 H new ATOM 0 HA2 GLY A 80 -2.577 10.861 3.381 1.00 1.12 H new ATOM 0 HA3 GLY A 80 -1.370 11.215 4.602 1.00 1.12 H new ATOM 1254 N GLY A 81 -0.583 9.622 1.769 1.00 0.84 N ATOM 1255 CA GLY A 81 0.394 9.501 0.680 1.00 0.73 C ATOM 1256 C GLY A 81 0.400 8.137 -0.002 1.00 0.75 C ATOM 1257 O GLY A 81 -0.603 7.724 -0.576 1.00 1.52 O ATOM 0 H GLY A 81 -1.312 8.910 1.728 1.00 0.84 H new ATOM 0 HA2 GLY A 81 0.187 10.268 -0.067 1.00 0.73 H new ATOM 0 HA3 GLY A 81 1.390 9.702 1.075 1.00 0.73 H new ATOM 1261 N TYR A 82 1.543 7.453 -0.001 1.00 0.71 N ATOM 1262 CA TYR A 82 1.716 6.241 -0.807 1.00 0.68 C ATOM 1263 C TYR A 82 0.977 5.047 -0.225 1.00 0.68 C ATOM 1264 O TYR A 82 1.037 4.796 0.967 1.00 0.80 O ATOM 1265 CB TYR A 82 3.188 5.872 -0.936 1.00 0.71 C ATOM 1266 CG TYR A 82 4.005 6.888 -1.691 1.00 0.73 C ATOM 1267 CD1 TYR A 82 3.772 7.042 -3.066 1.00 1.92 C ATOM 1268 CD2 TYR A 82 4.999 7.655 -1.052 1.00 2.08 C ATOM 1269 CE1 TYR A 82 4.550 7.927 -3.818 1.00 1.97 C ATOM 1270 CE2 TYR A 82 5.772 8.564 -1.802 1.00 2.12 C ATOM 1271 CZ TYR A 82 5.555 8.698 -3.194 1.00 0.94 C ATOM 1272 OH TYR A 82 6.304 9.558 -3.934 1.00 1.13 O ATOM 0 H TYR A 82 2.363 7.715 0.547 1.00 0.71 H new ATOM 0 HA TYR A 82 1.298 6.473 -1.786 1.00 0.68 H new ATOM 0 HB2 TYR A 82 3.611 5.748 0.061 1.00 0.71 H new ATOM 0 HB3 TYR A 82 3.269 4.908 -1.439 1.00 0.71 H new ATOM 0 HD1 TYR A 82 2.988 6.474 -3.545 1.00 1.92 H new ATOM 0 HD2 TYR A 82 5.168 7.547 0.009 1.00 2.08 H new ATOM 0 HE1 TYR A 82 4.382 8.021 -4.881 1.00 1.97 H new ATOM 0 HE2 TYR A 82 6.530 9.159 -1.314 1.00 2.12 H new ATOM 0 HH TYR A 82 6.950 10.012 -3.353 1.00 1.13 H new ATOM 1282 N HIS A 83 0.278 4.319 -1.081 1.00 0.58 N ATOM 1283 CA HIS A 83 -0.560 3.174 -0.690 1.00 0.54 C ATOM 1284 C HIS A 83 -0.871 2.274 -1.891 1.00 0.46 C ATOM 1285 O HIS A 83 -0.773 2.725 -3.029 1.00 0.55 O ATOM 1286 CB HIS A 83 -1.827 3.657 0.031 1.00 0.61 C ATOM 1287 CG HIS A 83 -2.755 4.453 -0.835 1.00 0.54 C ATOM 1288 ND1 HIS A 83 -2.586 5.773 -1.190 1.00 0.54 N ATOM 1289 CD2 HIS A 83 -3.831 3.970 -1.526 1.00 0.52 C ATOM 1290 CE1 HIS A 83 -3.499 6.064 -2.122 1.00 0.50 C ATOM 1291 NE2 HIS A 83 -4.288 5.006 -2.339 1.00 0.49 N ATOM 0 H HIS A 83 0.270 4.502 -2.084 1.00 0.58 H new ATOM 0 HA HIS A 83 -0.002 2.559 0.016 1.00 0.54 H new ATOM 0 HB2 HIS A 83 -2.363 2.792 0.421 1.00 0.61 H new ATOM 0 HB3 HIS A 83 -1.536 4.264 0.888 1.00 0.61 H new ATOM 0 HD1 HIS A 83 -1.889 6.414 -0.810 1.00 0.54 H new ATOM 0 HD2 HIS A 83 -4.247 2.976 -1.456 1.00 0.52 H new ATOM 0 HE1 HIS A 83 -3.587 7.015 -2.626 1.00 0.50 H new ATOM 1299 N PHE A 84 -1.325 1.039 -1.672 1.00 0.39 N ATOM 1300 CA PHE A 84 -1.864 0.227 -2.772 1.00 0.41 C ATOM 1301 C PHE A 84 -3.371 0.441 -2.911 1.00 0.42 C ATOM 1302 O PHE A 84 -4.048 0.646 -1.905 1.00 0.52 O ATOM 1303 CB PHE A 84 -1.566 -1.261 -2.562 1.00 0.46 C ATOM 1304 CG PHE A 84 -0.093 -1.585 -2.613 1.00 0.47 C ATOM 1305 CD1 PHE A 84 0.677 -1.529 -1.440 1.00 2.14 C ATOM 1306 CD2 PHE A 84 0.522 -1.884 -3.843 1.00 2.04 C ATOM 1307 CE1 PHE A 84 2.057 -1.775 -1.497 1.00 2.25 C ATOM 1308 CE2 PHE A 84 1.898 -2.148 -3.893 1.00 1.97 C ATOM 1309 CZ PHE A 84 2.661 -2.109 -2.716 1.00 0.68 C ATOM 0 H PHE A 84 -1.332 0.582 -0.760 1.00 0.39 H new ATOM 0 HA PHE A 84 -1.373 0.549 -3.690 1.00 0.41 H new ATOM 0 HB2 PHE A 84 -1.967 -1.573 -1.597 1.00 0.46 H new ATOM 0 HB3 PHE A 84 -2.086 -1.840 -3.325 1.00 0.46 H new ATOM 0 HD1 PHE A 84 0.208 -1.297 -0.495 1.00 2.14 H new ATOM 0 HD2 PHE A 84 -0.066 -1.910 -4.748 1.00 2.04 H new ATOM 0 HE1 PHE A 84 2.654 -1.707 -0.600 1.00 2.25 H new ATOM 0 HE2 PHE A 84 2.370 -2.381 -4.836 1.00 1.97 H new ATOM 0 HZ PHE A 84 3.716 -2.337 -2.750 1.00 0.68 H new ATOM 1319 N MET A 85 -3.914 0.312 -4.123 1.00 0.41 N ATOM 1320 CA MET A 85 -5.357 0.156 -4.375 1.00 0.41 C ATOM 1321 C MET A 85 -5.653 -1.298 -4.736 1.00 0.39 C ATOM 1322 O MET A 85 -4.929 -1.882 -5.537 1.00 0.41 O ATOM 1323 CB MET A 85 -5.819 1.086 -5.501 1.00 0.50 C ATOM 1324 CG MET A 85 -7.164 1.738 -5.150 1.00 0.59 C ATOM 1325 SD MET A 85 -7.082 2.963 -3.798 1.00 0.52 S ATOM 1326 CE MET A 85 -8.855 3.134 -3.446 1.00 0.50 C ATOM 0 H MET A 85 -3.356 0.312 -4.977 1.00 0.41 H new ATOM 0 HA MET A 85 -5.904 0.426 -3.471 1.00 0.41 H new ATOM 0 HB2 MET A 85 -5.069 1.858 -5.672 1.00 0.50 H new ATOM 0 HB3 MET A 85 -5.914 0.522 -6.429 1.00 0.50 H new ATOM 0 HG2 MET A 85 -7.561 2.225 -6.041 1.00 0.59 H new ATOM 0 HG3 MET A 85 -7.871 0.956 -4.872 1.00 0.59 H new ATOM 0 HE1 MET A 85 -8.998 3.851 -2.637 1.00 0.50 H new ATOM 0 HE2 MET A 85 -9.371 3.487 -4.339 1.00 0.50 H new ATOM 0 HE3 MET A 85 -9.262 2.167 -3.150 1.00 0.50 H new ATOM 1336 N LEU A 86 -6.692 -1.885 -4.145 1.00 0.42 N ATOM 1337 CA LEU A 86 -7.094 -3.280 -4.327 1.00 0.42 C ATOM 1338 C LEU A 86 -8.496 -3.294 -4.945 1.00 0.42 C ATOM 1339 O LEU A 86 -9.386 -2.613 -4.434 1.00 0.48 O ATOM 1340 CB LEU A 86 -7.117 -3.974 -2.948 1.00 0.43 C ATOM 1341 CG LEU A 86 -5.769 -4.428 -2.344 1.00 0.46 C ATOM 1342 CD1 LEU A 86 -4.755 -3.297 -2.102 1.00 0.52 C ATOM 1343 CD2 LEU A 86 -6.061 -5.102 -0.993 1.00 0.51 C ATOM 0 H LEU A 86 -7.302 -1.382 -3.500 1.00 0.42 H new ATOM 0 HA LEU A 86 -6.398 -3.806 -4.980 1.00 0.42 H new ATOM 0 HB2 LEU A 86 -7.589 -3.294 -2.239 1.00 0.43 H new ATOM 0 HB3 LEU A 86 -7.761 -4.850 -3.025 1.00 0.43 H new ATOM 0 HG LEU A 86 -5.313 -5.097 -3.074 1.00 0.46 H new ATOM 0 HD11 LEU A 86 -3.841 -3.712 -1.677 1.00 0.52 H new ATOM 0 HD12 LEU A 86 -4.525 -2.806 -3.048 1.00 0.52 H new ATOM 0 HD13 LEU A 86 -5.179 -2.570 -1.410 1.00 0.52 H new ATOM 0 HD21 LEU A 86 -5.126 -5.434 -0.542 1.00 0.51 H new ATOM 0 HD22 LEU A 86 -6.551 -4.390 -0.329 1.00 0.51 H new ATOM 0 HD23 LEU A 86 -6.713 -5.961 -1.149 1.00 0.51 H new ATOM 1355 N LEU A 87 -8.724 -4.064 -6.014 1.00 0.45 N ATOM 1356 CA LEU A 87 -10.038 -4.182 -6.658 1.00 0.52 C ATOM 1357 C LEU A 87 -10.380 -5.633 -7.000 1.00 0.55 C ATOM 1358 O LEU A 87 -9.528 -6.408 -7.441 1.00 0.68 O ATOM 1359 CB LEU A 87 -10.114 -3.311 -7.924 1.00 0.80 C ATOM 1360 CG LEU A 87 -9.950 -1.793 -7.680 1.00 0.95 C ATOM 1361 CD1 LEU A 87 -8.501 -1.321 -7.884 1.00 1.34 C ATOM 1362 CD2 LEU A 87 -10.868 -1.035 -8.643 1.00 1.77 C ATOM 0 H LEU A 87 -7.999 -4.626 -6.460 1.00 0.45 H new ATOM 0 HA LEU A 87 -10.774 -3.824 -5.938 1.00 0.52 H new ATOM 0 HB2 LEU A 87 -9.341 -3.638 -8.619 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -11.074 -3.485 -8.410 1.00 0.80 H new ATOM 0 HG LEU A 87 -10.217 -1.590 -6.643 1.00 0.95 H new ATOM 0 HD11 LEU A 87 -8.439 -0.248 -7.701 1.00 1.34 H new ATOM 0 HD12 LEU A 87 -7.846 -1.846 -7.189 1.00 1.34 H new ATOM 0 HD13 LEU A 87 -8.190 -1.533 -8.907 1.00 1.34 H new ATOM 0 HD21 LEU A 87 -10.761 0.037 -8.480 1.00 1.77 H new ATOM 0 HD22 LEU A 87 -10.595 -1.275 -9.671 1.00 1.77 H new ATOM 0 HD23 LEU A 87 -11.903 -1.327 -8.465 1.00 1.77 H new ATOM 1374 N GLY A 88 -11.649 -6.001 -6.811 1.00 0.55 N ATOM 1375 CA GLY A 88 -12.139 -7.366 -7.014 1.00 0.60 C ATOM 1376 C GLY A 88 -11.768 -8.280 -5.849 1.00 0.60 C ATOM 1377 O GLY A 88 -11.257 -9.373 -6.079 1.00 0.76 O ATOM 0 H GLY A 88 -12.375 -5.351 -6.509 1.00 0.55 H new ATOM 0 HA2 GLY A 88 -13.222 -7.350 -7.132 1.00 0.60 H new ATOM 0 HA3 GLY A 88 -11.723 -7.768 -7.938 1.00 0.60 H new ATOM 1381 N LEU A 89 -11.945 -7.820 -4.604 1.00 0.57 N ATOM 1382 CA LEU A 89 -11.688 -8.626 -3.410 1.00 0.56 C ATOM 1383 C LEU A 89 -12.412 -9.970 -3.369 1.00 0.64 C ATOM 1384 O LEU A 89 -13.521 -10.158 -3.866 1.00 0.93 O ATOM 1385 CB LEU A 89 -11.853 -7.842 -2.094 1.00 0.61 C ATOM 1386 CG LEU A 89 -13.102 -6.957 -1.886 1.00 0.74 C ATOM 1387 CD1 LEU A 89 -14.421 -7.737 -1.899 1.00 1.28 C ATOM 1388 CD2 LEU A 89 -12.957 -6.208 -0.558 1.00 1.15 C ATOM 0 H LEU A 89 -12.271 -6.876 -4.399 1.00 0.57 H new ATOM 0 HA LEU A 89 -10.631 -8.877 -3.501 1.00 0.56 H new ATOM 0 HB2 LEU A 89 -11.825 -8.564 -1.278 1.00 0.61 H new ATOM 0 HB3 LEU A 89 -10.978 -7.202 -1.983 1.00 0.61 H new ATOM 0 HG LEU A 89 -13.151 -6.267 -2.728 1.00 0.74 H new ATOM 0 HD11 LEU A 89 -15.252 -7.049 -1.747 1.00 1.28 H new ATOM 0 HD12 LEU A 89 -14.537 -8.240 -2.859 1.00 1.28 H new ATOM 0 HD13 LEU A 89 -14.413 -8.478 -1.100 1.00 1.28 H new ATOM 0 HD21 LEU A 89 -13.832 -5.579 -0.398 1.00 1.15 H new ATOM 0 HD22 LEU A 89 -12.872 -6.926 0.257 1.00 1.15 H new ATOM 0 HD23 LEU A 89 -12.063 -5.585 -0.587 1.00 1.15 H new ATOM 1400 N LYS A 90 -11.735 -10.918 -2.728 1.00 0.62 N ATOM 1401 CA LYS A 90 -12.184 -12.318 -2.624 1.00 0.70 C ATOM 1402 C LYS A 90 -12.740 -12.667 -1.226 1.00 0.81 C ATOM 1403 O LYS A 90 -13.323 -13.734 -1.022 1.00 0.90 O ATOM 1404 CB LYS A 90 -11.057 -13.263 -3.076 1.00 0.67 C ATOM 1405 CG LYS A 90 -10.401 -12.901 -4.429 1.00 0.70 C ATOM 1406 CD LYS A 90 -11.376 -12.714 -5.607 1.00 1.34 C ATOM 1407 CE LYS A 90 -10.652 -12.284 -6.894 1.00 1.28 C ATOM 1408 NZ LYS A 90 -9.986 -13.401 -7.598 1.00 1.78 N ATOM 0 H LYS A 90 -10.847 -10.742 -2.258 1.00 0.62 H new ATOM 0 HA LYS A 90 -13.029 -12.455 -3.299 1.00 0.70 H new ATOM 0 HB2 LYS A 90 -10.284 -13.276 -2.307 1.00 0.67 H new ATOM 0 HB3 LYS A 90 -11.457 -14.275 -3.143 1.00 0.67 H new ATOM 0 HG2 LYS A 90 -9.830 -11.981 -4.302 1.00 0.70 H new ATOM 0 HG3 LYS A 90 -9.689 -13.684 -4.689 1.00 0.70 H new ATOM 0 HD2 LYS A 90 -11.910 -13.647 -5.786 1.00 1.34 H new ATOM 0 HD3 LYS A 90 -12.123 -11.965 -5.344 1.00 1.34 H new ATOM 0 HE2 LYS A 90 -11.371 -11.818 -7.567 1.00 1.28 H new ATOM 0 HE3 LYS A 90 -9.909 -11.526 -6.647 1.00 1.28 H new ATOM 0 HZ1 LYS A 90 -9.142 -13.047 -8.091 1.00 1.78 H new ATOM 0 HZ2 LYS A 90 -9.705 -14.128 -6.909 1.00 1.78 H new ATOM 0 HZ3 LYS A 90 -10.642 -13.816 -8.290 1.00 1.78 H new ATOM 1422 N ARG A 91 -12.604 -11.735 -0.269 1.00 0.89 N ATOM 1423 CA ARG A 91 -13.333 -11.644 1.006 1.00 1.03 C ATOM 1424 C ARG A 91 -13.569 -10.150 1.317 1.00 1.11 C ATOM 1425 O ARG A 91 -12.621 -9.384 1.134 1.00 1.21 O ATOM 1426 CB ARG A 91 -12.509 -12.218 2.177 1.00 1.14 C ATOM 1427 CG ARG A 91 -12.062 -13.682 2.064 1.00 1.69 C ATOM 1428 CD ARG A 91 -13.231 -14.670 2.106 1.00 3.02 C ATOM 1429 NE ARG A 91 -12.730 -16.058 2.128 1.00 3.58 N ATOM 1430 CZ ARG A 91 -13.330 -17.137 1.639 1.00 4.98 C ATOM 1431 NH1 ARG A 91 -14.486 -17.063 1.013 1.00 6.19 N ATOM 1432 NH2 ARG A 91 -12.757 -18.313 1.782 1.00 5.73 N ATOM 0 H ARG A 91 -11.935 -10.972 -0.373 1.00 0.89 H new ATOM 0 HA ARG A 91 -14.260 -12.208 0.907 1.00 1.03 H new ATOM 0 HB2 ARG A 91 -11.619 -11.601 2.299 1.00 1.14 H new ATOM 0 HB3 ARG A 91 -13.097 -12.113 3.089 1.00 1.14 H new ATOM 0 HG2 ARG A 91 -11.513 -13.817 1.132 1.00 1.69 H new ATOM 0 HG3 ARG A 91 -11.372 -13.909 2.877 1.00 1.69 H new ATOM 0 HD2 ARG A 91 -13.842 -14.483 2.989 1.00 3.02 H new ATOM 0 HD3 ARG A 91 -13.872 -14.522 1.237 1.00 3.02 H new ATOM 0 HE ARG A 91 -11.822 -16.205 2.568 1.00 3.58 H new ATOM 0 HH11 ARG A 91 -14.944 -16.160 0.893 1.00 6.19 H new ATOM 0 HH12 ARG A 91 -14.923 -17.909 0.648 1.00 6.19 H new ATOM 0 HH21 ARG A 91 -11.861 -18.389 2.264 1.00 5.73 H new ATOM 0 HH22 ARG A 91 -13.208 -19.149 1.411 1.00 5.73 H new ATOM 1446 N PRO A 92 -14.757 -9.734 1.802 1.00 1.34 N ATOM 1447 CA PRO A 92 -14.927 -8.425 2.422 1.00 1.52 C ATOM 1448 C PRO A 92 -14.111 -8.397 3.719 1.00 1.43 C ATOM 1449 O PRO A 92 -14.011 -9.416 4.406 1.00 1.61 O ATOM 1450 CB PRO A 92 -16.432 -8.269 2.660 1.00 1.91 C ATOM 1451 CG PRO A 92 -16.905 -9.710 2.848 1.00 1.94 C ATOM 1452 CD PRO A 92 -15.977 -10.519 1.938 1.00 1.64 C ATOM 0 HA PRO A 92 -14.572 -7.597 1.808 1.00 1.52 H new ATOM 0 HB2 PRO A 92 -16.640 -7.659 3.539 1.00 1.91 H new ATOM 0 HB3 PRO A 92 -16.926 -7.790 1.815 1.00 1.91 H new ATOM 0 HG2 PRO A 92 -16.821 -10.026 3.888 1.00 1.94 H new ATOM 0 HG3 PRO A 92 -17.950 -9.829 2.562 1.00 1.94 H new ATOM 0 HD2 PRO A 92 -15.765 -11.497 2.369 1.00 1.64 H new ATOM 0 HD3 PRO A 92 -16.439 -10.693 0.966 1.00 1.64 H new ATOM 1460 N LEU A 93 -13.530 -7.239 4.034 1.00 1.51 N ATOM 1461 CA LEU A 93 -12.500 -7.050 5.044 1.00 1.53 C ATOM 1462 C LEU A 93 -12.982 -6.049 6.098 1.00 1.70 C ATOM 1463 O LEU A 93 -13.408 -4.933 5.807 1.00 2.10 O ATOM 1464 CB LEU A 93 -11.160 -6.712 4.361 1.00 1.74 C ATOM 1465 CG LEU A 93 -10.936 -5.315 3.737 1.00 1.96 C ATOM 1466 CD1 LEU A 93 -9.574 -5.348 3.028 1.00 2.63 C ATOM 1467 CD2 LEU A 93 -12.010 -4.886 2.726 1.00 2.75 C ATOM 0 H LEU A 93 -13.780 -6.368 3.566 1.00 1.51 H new ATOM 0 HA LEU A 93 -12.310 -7.969 5.599 1.00 1.53 H new ATOM 0 HB2 LEU A 93 -10.373 -6.866 5.099 1.00 1.74 H new ATOM 0 HB3 LEU A 93 -11.005 -7.447 3.571 1.00 1.74 H new ATOM 0 HG LEU A 93 -10.984 -4.586 4.546 1.00 1.96 H new ATOM 0 HD11 LEU A 93 -9.377 -4.377 2.573 1.00 2.63 H new ATOM 0 HD12 LEU A 93 -8.792 -5.574 3.753 1.00 2.63 H new ATOM 0 HD13 LEU A 93 -9.585 -6.116 2.255 1.00 2.63 H new ATOM 0 HD21 LEU A 93 -11.771 -3.895 2.340 1.00 2.75 H new ATOM 0 HD22 LEU A 93 -12.039 -5.599 1.902 1.00 2.75 H new ATOM 0 HD23 LEU A 93 -12.983 -4.860 3.217 1.00 2.75 H new ATOM 1479 N LYS A 94 -13.017 -6.537 7.333 1.00 1.54 N ATOM 1480 CA LYS A 94 -13.785 -6.001 8.458 1.00 1.40 C ATOM 1481 C LYS A 94 -12.929 -5.583 9.664 1.00 1.29 C ATOM 1482 O LYS A 94 -11.739 -5.870 9.766 1.00 1.74 O ATOM 1483 CB LYS A 94 -14.795 -7.068 8.896 1.00 1.47 C ATOM 1484 CG LYS A 94 -15.839 -7.380 7.815 1.00 2.13 C ATOM 1485 CD LYS A 94 -16.591 -8.661 8.194 1.00 2.33 C ATOM 1486 CE LYS A 94 -16.449 -9.745 7.110 1.00 3.37 C ATOM 1487 NZ LYS A 94 -15.045 -10.202 6.949 1.00 3.76 N ATOM 0 H LYS A 94 -12.481 -7.364 7.594 1.00 1.54 H new ATOM 0 HA LYS A 94 -14.272 -5.090 8.110 1.00 1.40 H new ATOM 0 HB2 LYS A 94 -14.261 -7.983 9.153 1.00 1.47 H new ATOM 0 HB3 LYS A 94 -15.304 -6.731 9.799 1.00 1.47 H new ATOM 0 HG2 LYS A 94 -16.538 -6.549 7.717 1.00 2.13 H new ATOM 0 HG3 LYS A 94 -15.352 -7.503 6.847 1.00 2.13 H new ATOM 0 HD2 LYS A 94 -16.209 -9.041 9.141 1.00 2.33 H new ATOM 0 HD3 LYS A 94 -17.646 -8.433 8.345 1.00 2.33 H new ATOM 0 HE2 LYS A 94 -17.079 -10.597 7.367 1.00 3.37 H new ATOM 0 HE3 LYS A 94 -16.813 -9.355 6.159 1.00 3.37 H new ATOM 0 HZ1 LYS A 94 -14.932 -10.656 6.020 1.00 3.76 H new ATOM 0 HZ2 LYS A 94 -14.404 -9.385 7.016 1.00 3.76 H new ATOM 0 HZ3 LYS A 94 -14.814 -10.885 7.698 1.00 3.76 H new ATOM 1501 N ALA A 95 -13.576 -4.902 10.611 1.00 1.17 N ATOM 1502 CA ALA A 95 -12.925 -4.241 11.747 1.00 1.31 C ATOM 1503 C ALA A 95 -12.340 -5.264 12.737 1.00 1.38 C ATOM 1504 O ALA A 95 -13.082 -5.874 13.504 1.00 1.75 O ATOM 1505 CB ALA A 95 -13.941 -3.297 12.411 1.00 1.45 C ATOM 0 H ALA A 95 -14.590 -4.791 10.611 1.00 1.17 H new ATOM 0 HA ALA A 95 -12.077 -3.654 11.395 1.00 1.31 H new ATOM 0 HB1 ALA A 95 -13.473 -2.797 13.259 1.00 1.45 H new ATOM 0 HB2 ALA A 95 -14.272 -2.552 11.688 1.00 1.45 H new ATOM 0 HB3 ALA A 95 -14.799 -3.872 12.758 1.00 1.45 H new ATOM 1511 N GLY A 96 -11.014 -5.443 12.703 1.00 1.21 N ATOM 1512 CA GLY A 96 -10.300 -6.414 13.542 1.00 1.37 C ATOM 1513 C GLY A 96 -9.930 -7.724 12.840 1.00 1.40 C ATOM 1514 O GLY A 96 -9.534 -8.661 13.522 1.00 1.81 O ATOM 0 H GLY A 96 -10.400 -4.912 12.086 1.00 1.21 H new ATOM 0 HA2 GLY A 96 -9.388 -5.948 13.915 1.00 1.37 H new ATOM 0 HA3 GLY A 96 -10.917 -6.646 14.410 1.00 1.37 H new ATOM 1518 N GLU A 97 -10.035 -7.792 11.509 1.00 1.17 N ATOM 1519 CA GLU A 97 -9.441 -8.879 10.717 1.00 1.14 C ATOM 1520 C GLU A 97 -7.954 -8.620 10.434 1.00 1.06 C ATOM 1521 O GLU A 97 -7.379 -7.653 10.933 1.00 1.04 O ATOM 1522 CB GLU A 97 -10.236 -9.079 9.413 1.00 1.15 C ATOM 1523 CG GLU A 97 -11.630 -9.618 9.760 1.00 1.38 C ATOM 1524 CD GLU A 97 -12.481 -10.031 8.566 1.00 1.26 C ATOM 1525 OE1 GLU A 97 -12.553 -9.286 7.564 1.00 2.24 O ATOM 1526 OE2 GLU A 97 -13.216 -11.033 8.673 1.00 2.06 O ATOM 0 H GLU A 97 -10.532 -7.099 10.950 1.00 1.17 H new ATOM 0 HA GLU A 97 -9.498 -9.799 11.299 1.00 1.14 H new ATOM 0 HB2 GLU A 97 -10.320 -8.135 8.874 1.00 1.15 H new ATOM 0 HB3 GLU A 97 -9.715 -9.776 8.757 1.00 1.15 H new ATOM 0 HG2 GLU A 97 -11.516 -10.478 10.419 1.00 1.38 H new ATOM 0 HG3 GLU A 97 -12.168 -8.855 10.322 1.00 1.38 H new ATOM 1533 N GLU A 98 -7.349 -9.463 9.603 1.00 1.07 N ATOM 1534 CA GLU A 98 -5.962 -9.488 9.190 1.00 1.06 C ATOM 1535 C GLU A 98 -5.957 -9.988 7.751 1.00 1.05 C ATOM 1536 O GLU A 98 -6.727 -10.875 7.391 1.00 1.20 O ATOM 1537 CB GLU A 98 -5.111 -10.422 10.063 1.00 1.19 C ATOM 1538 CG GLU A 98 -5.006 -9.978 11.525 1.00 2.81 C ATOM 1539 CD GLU A 98 -3.968 -10.817 12.255 1.00 3.23 C ATOM 1540 OE1 GLU A 98 -2.767 -10.554 12.014 1.00 4.00 O ATOM 1541 OE2 GLU A 98 -4.378 -11.720 13.016 1.00 3.64 O ATOM 0 H GLU A 98 -7.876 -10.217 9.162 1.00 1.07 H new ATOM 0 HA GLU A 98 -5.528 -8.493 9.288 1.00 1.06 H new ATOM 0 HB2 GLU A 98 -5.537 -11.425 10.027 1.00 1.19 H new ATOM 0 HB3 GLU A 98 -4.109 -10.486 9.640 1.00 1.19 H new ATOM 0 HG2 GLU A 98 -4.732 -8.924 11.574 1.00 2.81 H new ATOM 0 HG3 GLU A 98 -5.975 -10.079 12.014 1.00 2.81 H new ATOM 1548 N VAL A 99 -5.122 -9.369 6.934 1.00 0.98 N ATOM 1549 CA VAL A 99 -5.046 -9.585 5.486 1.00 0.95 C ATOM 1550 C VAL A 99 -3.579 -9.635 5.053 1.00 0.85 C ATOM 1551 O VAL A 99 -2.809 -8.701 5.282 1.00 0.97 O ATOM 1552 CB VAL A 99 -5.859 -8.499 4.741 1.00 1.03 C ATOM 1553 CG1 VAL A 99 -5.574 -8.500 3.229 1.00 1.18 C ATOM 1554 CG2 VAL A 99 -7.374 -8.707 4.958 1.00 1.08 C ATOM 0 H VAL A 99 -4.451 -8.676 7.266 1.00 0.98 H new ATOM 0 HA VAL A 99 -5.494 -10.543 5.224 1.00 0.95 H new ATOM 0 HB VAL A 99 -5.549 -7.539 5.155 1.00 1.03 H new ATOM 0 HG11 VAL A 99 -6.166 -7.722 2.747 1.00 1.18 H new ATOM 0 HG12 VAL A 99 -4.515 -8.308 3.058 1.00 1.18 H new ATOM 0 HG13 VAL A 99 -5.839 -9.470 2.809 1.00 1.18 H new ATOM 0 HG21 VAL A 99 -7.927 -7.933 4.426 1.00 1.08 H new ATOM 0 HG22 VAL A 99 -7.665 -9.687 4.579 1.00 1.08 H new ATOM 0 HG23 VAL A 99 -7.601 -8.648 6.023 1.00 1.08 H new ATOM 1564 N GLU A 100 -3.194 -10.760 4.440 1.00 0.77 N ATOM 1565 CA GLU A 100 -1.829 -11.020 3.982 1.00 0.71 C ATOM 1566 C GLU A 100 -1.535 -10.434 2.591 1.00 0.58 C ATOM 1567 O GLU A 100 -2.422 -10.277 1.738 1.00 0.58 O ATOM 1568 CB GLU A 100 -1.486 -12.517 4.084 1.00 1.12 C ATOM 1569 CG GLU A 100 -2.272 -13.423 3.125 1.00 1.69 C ATOM 1570 CD GLU A 100 -1.920 -14.904 3.286 1.00 1.96 C ATOM 1571 OE1 GLU A 100 -0.713 -15.212 3.408 1.00 2.11 O ATOM 1572 OE2 GLU A 100 -2.841 -15.740 3.218 1.00 3.17 O ATOM 0 H GLU A 100 -3.836 -11.528 4.246 1.00 0.77 H new ATOM 0 HA GLU A 100 -1.161 -10.487 4.658 1.00 0.71 H new ATOM 0 HB2 GLU A 100 -0.421 -12.645 3.892 1.00 1.12 H new ATOM 0 HB3 GLU A 100 -1.668 -12.849 5.106 1.00 1.12 H new ATOM 0 HG2 GLU A 100 -3.340 -13.287 3.297 1.00 1.69 H new ATOM 0 HG3 GLU A 100 -2.073 -13.117 2.098 1.00 1.69 H new ATOM 1579 N LEU A 101 -0.260 -10.086 2.384 1.00 0.70 N ATOM 1580 CA LEU A 101 0.259 -9.500 1.165 1.00 0.69 C ATOM 1581 C LEU A 101 1.751 -9.731 0.945 1.00 0.58 C ATOM 1582 O LEU A 101 2.573 -9.695 1.853 1.00 0.66 O ATOM 1583 CB LEU A 101 -0.091 -8.006 1.034 1.00 0.84 C ATOM 1584 CG LEU A 101 -0.517 -7.231 2.283 1.00 1.89 C ATOM 1585 CD1 LEU A 101 0.639 -7.061 3.268 1.00 3.50 C ATOM 1586 CD2 LEU A 101 -1.084 -5.868 1.866 1.00 2.08 C ATOM 0 H LEU A 101 0.459 -10.214 3.096 1.00 0.70 H new ATOM 0 HA LEU A 101 -0.252 -10.040 0.368 1.00 0.69 H new ATOM 0 HB2 LEU A 101 0.778 -7.500 0.614 1.00 0.84 H new ATOM 0 HB3 LEU A 101 -0.895 -7.919 0.303 1.00 0.84 H new ATOM 0 HG LEU A 101 -1.289 -7.803 2.798 1.00 1.89 H new ATOM 0 HD11 LEU A 101 0.295 -6.506 4.141 1.00 3.50 H new ATOM 0 HD12 LEU A 101 0.998 -8.042 3.580 1.00 3.50 H new ATOM 0 HD13 LEU A 101 1.450 -6.514 2.787 1.00 3.50 H new ATOM 0 HD21 LEU A 101 -1.388 -5.314 2.754 1.00 2.08 H new ATOM 0 HD22 LEU A 101 -0.320 -5.305 1.330 1.00 2.08 H new ATOM 0 HD23 LEU A 101 -1.947 -6.016 1.217 1.00 2.08 H new ATOM 1598 N ASP A 102 2.068 -9.910 -0.323 1.00 0.61 N ATOM 1599 CA ASP A 102 3.385 -10.184 -0.892 1.00 0.70 C ATOM 1600 C ASP A 102 3.925 -8.921 -1.571 1.00 0.68 C ATOM 1601 O ASP A 102 3.367 -8.457 -2.564 1.00 0.98 O ATOM 1602 CB ASP A 102 3.249 -11.327 -1.908 1.00 0.94 C ATOM 1603 CG ASP A 102 3.004 -12.688 -1.258 1.00 1.38 C ATOM 1604 OD1 ASP A 102 4.005 -13.350 -0.918 1.00 2.69 O ATOM 1605 OD2 ASP A 102 1.814 -13.060 -1.122 1.00 2.18 O ATOM 0 H ASP A 102 1.353 -9.865 -1.049 1.00 0.61 H new ATOM 0 HA ASP A 102 4.084 -10.477 -0.108 1.00 0.70 H new ATOM 0 HB2 ASP A 102 2.427 -11.104 -2.588 1.00 0.94 H new ATOM 0 HB3 ASP A 102 4.156 -11.378 -2.511 1.00 0.94 H new ATOM 1610 N LEU A 103 5.007 -8.350 -1.049 1.00 0.81 N ATOM 1611 CA LEU A 103 5.639 -7.139 -1.569 1.00 0.81 C ATOM 1612 C LEU A 103 6.512 -7.515 -2.774 1.00 0.80 C ATOM 1613 O LEU A 103 7.355 -8.406 -2.667 1.00 0.84 O ATOM 1614 CB LEU A 103 6.497 -6.520 -0.452 1.00 0.84 C ATOM 1615 CG LEU A 103 5.764 -5.808 0.706 1.00 0.93 C ATOM 1616 CD1 LEU A 103 4.601 -6.581 1.347 1.00 0.82 C ATOM 1617 CD2 LEU A 103 6.812 -5.473 1.778 1.00 1.43 C ATOM 0 H LEU A 103 5.483 -8.727 -0.229 1.00 0.81 H new ATOM 0 HA LEU A 103 4.890 -6.415 -1.889 1.00 0.81 H new ATOM 0 HB2 LEU A 103 7.111 -7.312 -0.023 1.00 0.84 H new ATOM 0 HB3 LEU A 103 7.177 -5.802 -0.910 1.00 0.84 H new ATOM 0 HG LEU A 103 5.291 -4.926 0.274 1.00 0.93 H new ATOM 0 HD11 LEU A 103 4.164 -5.983 2.147 1.00 0.82 H new ATOM 0 HD12 LEU A 103 3.842 -6.788 0.592 1.00 0.82 H new ATOM 0 HD13 LEU A 103 4.971 -7.521 1.757 1.00 0.82 H new ATOM 0 HD21 LEU A 103 6.329 -4.968 2.614 1.00 1.43 H new ATOM 0 HD22 LEU A 103 7.279 -6.393 2.131 1.00 1.43 H new ATOM 0 HD23 LEU A 103 7.574 -4.821 1.351 1.00 1.43 H new ATOM 1629 N LEU A 104 6.331 -6.838 -3.916 1.00 0.78 N ATOM 1630 CA LEU A 104 7.039 -7.132 -5.163 1.00 0.76 C ATOM 1631 C LEU A 104 8.144 -6.093 -5.393 1.00 0.72 C ATOM 1632 O LEU A 104 7.880 -4.916 -5.660 1.00 0.68 O ATOM 1633 CB LEU A 104 6.035 -7.162 -6.333 1.00 0.78 C ATOM 1634 CG LEU A 104 4.876 -8.175 -6.210 1.00 0.84 C ATOM 1635 CD1 LEU A 104 4.036 -8.161 -7.496 1.00 0.84 C ATOM 1636 CD2 LEU A 104 5.346 -9.611 -5.938 1.00 0.94 C ATOM 0 H LEU A 104 5.678 -6.059 -3.997 1.00 0.78 H new ATOM 0 HA LEU A 104 7.512 -8.112 -5.098 1.00 0.76 H new ATOM 0 HB2 LEU A 104 5.609 -6.165 -6.444 1.00 0.78 H new ATOM 0 HB3 LEU A 104 6.583 -7.378 -7.250 1.00 0.78 H new ATOM 0 HG LEU A 104 4.284 -7.861 -5.351 1.00 0.84 H new ATOM 0 HD11 LEU A 104 3.219 -8.877 -7.405 1.00 0.84 H new ATOM 0 HD12 LEU A 104 3.627 -7.163 -7.653 1.00 0.84 H new ATOM 0 HD13 LEU A 104 4.664 -8.433 -8.344 1.00 0.84 H new ATOM 0 HD21 LEU A 104 4.480 -10.269 -5.863 1.00 0.94 H new ATOM 0 HD22 LEU A 104 5.986 -9.945 -6.754 1.00 0.94 H new ATOM 0 HD23 LEU A 104 5.905 -9.640 -5.003 1.00 0.94 H new ATOM 1648 N PHE A 105 9.396 -6.535 -5.311 1.00 0.74 N ATOM 1649 CA PHE A 105 10.596 -5.720 -5.491 1.00 0.69 C ATOM 1650 C PHE A 105 11.297 -6.047 -6.819 1.00 0.73 C ATOM 1651 O PHE A 105 11.311 -7.196 -7.269 1.00 0.91 O ATOM 1652 CB PHE A 105 11.528 -5.976 -4.304 1.00 0.74 C ATOM 1653 CG PHE A 105 10.976 -5.489 -2.982 1.00 0.74 C ATOM 1654 CD1 PHE A 105 11.078 -4.126 -2.656 1.00 2.00 C ATOM 1655 CD2 PHE A 105 10.370 -6.383 -2.075 1.00 1.82 C ATOM 1656 CE1 PHE A 105 10.618 -3.660 -1.417 1.00 2.09 C ATOM 1657 CE2 PHE A 105 9.927 -5.917 -0.824 1.00 1.76 C ATOM 1658 CZ PHE A 105 10.056 -4.558 -0.494 1.00 0.85 C ATOM 0 H PHE A 105 9.612 -7.511 -5.109 1.00 0.74 H new ATOM 0 HA PHE A 105 10.322 -4.666 -5.530 1.00 0.69 H new ATOM 0 HB2 PHE A 105 11.726 -7.045 -4.233 1.00 0.74 H new ATOM 0 HB3 PHE A 105 12.484 -5.486 -4.491 1.00 0.74 H new ATOM 0 HD1 PHE A 105 11.513 -3.435 -3.363 1.00 2.00 H new ATOM 0 HD2 PHE A 105 10.246 -7.423 -2.340 1.00 1.82 H new ATOM 0 HE1 PHE A 105 10.695 -2.611 -1.172 1.00 2.09 H new ATOM 0 HE2 PHE A 105 9.487 -6.605 -0.117 1.00 1.76 H new ATOM 0 HZ PHE A 105 9.723 -4.203 0.470 1.00 0.85 H new ATOM 1668 N ALA A 106 11.916 -5.035 -7.432 1.00 0.72 N ATOM 1669 CA ALA A 106 12.546 -5.129 -8.751 1.00 0.73 C ATOM 1670 C ALA A 106 13.516 -6.324 -8.875 1.00 1.25 C ATOM 1671 O ALA A 106 14.456 -6.477 -8.089 1.00 1.87 O ATOM 1672 CB ALA A 106 13.236 -3.794 -9.064 1.00 0.93 C ATOM 0 H ALA A 106 11.995 -4.107 -7.016 1.00 0.72 H new ATOM 0 HA ALA A 106 11.769 -5.321 -9.491 1.00 0.73 H new ATOM 0 HB1 ALA A 106 13.710 -3.850 -10.044 1.00 0.93 H new ATOM 0 HB2 ALA A 106 12.496 -2.993 -9.064 1.00 0.93 H new ATOM 0 HB3 ALA A 106 13.993 -3.589 -8.307 1.00 0.93 H new ATOM 1678 N GLY A 107 13.280 -7.180 -9.878 1.00 1.68 N ATOM 1679 CA GLY A 107 14.101 -8.360 -10.173 1.00 2.36 C ATOM 1680 C GLY A 107 13.873 -9.515 -9.195 1.00 2.08 C ATOM 1681 O GLY A 107 14.755 -9.808 -8.388 1.00 2.93 O ATOM 0 H GLY A 107 12.496 -7.068 -10.520 1.00 1.68 H new ATOM 0 HA2 GLY A 107 13.884 -8.702 -11.185 1.00 2.36 H new ATOM 0 HA3 GLY A 107 15.153 -8.077 -10.151 1.00 2.36 H new ATOM 1685 N GLY A 108 12.705 -10.165 -9.269 1.00 1.56 N ATOM 1686 CA GLY A 108 12.446 -11.492 -8.677 1.00 1.78 C ATOM 1687 C GLY A 108 12.339 -11.564 -7.150 1.00 1.66 C ATOM 1688 O GLY A 108 12.215 -12.655 -6.604 1.00 2.20 O ATOM 0 H GLY A 108 11.894 -9.779 -9.751 1.00 1.56 H new ATOM 0 HA2 GLY A 108 11.518 -11.876 -9.100 1.00 1.78 H new ATOM 0 HA3 GLY A 108 13.243 -12.165 -8.993 1.00 1.78 H new ATOM 1692 N LYS A 109 12.399 -10.440 -6.432 1.00 1.15 N ATOM 1693 CA LYS A 109 12.369 -10.432 -4.965 1.00 1.10 C ATOM 1694 C LYS A 109 10.941 -10.248 -4.446 1.00 1.08 C ATOM 1695 O LYS A 109 10.368 -9.170 -4.573 1.00 1.23 O ATOM 1696 CB LYS A 109 13.328 -9.347 -4.453 1.00 0.97 C ATOM 1697 CG LYS A 109 14.758 -9.897 -4.465 1.00 1.24 C ATOM 1698 CD LYS A 109 15.836 -8.828 -4.216 1.00 1.65 C ATOM 1699 CE LYS A 109 15.834 -7.690 -5.249 1.00 2.65 C ATOM 1700 NZ LYS A 109 16.120 -8.164 -6.626 1.00 3.15 N ATOM 0 H LYS A 109 12.470 -9.512 -6.848 1.00 1.15 H new ATOM 0 HA LYS A 109 12.707 -11.395 -4.581 1.00 1.10 H new ATOM 0 HB2 LYS A 109 13.261 -8.459 -5.081 1.00 0.97 H new ATOM 0 HB3 LYS A 109 13.050 -9.045 -3.443 1.00 0.97 H new ATOM 0 HG2 LYS A 109 14.846 -10.672 -3.704 1.00 1.24 H new ATOM 0 HG3 LYS A 109 14.946 -10.373 -5.428 1.00 1.24 H new ATOM 0 HD2 LYS A 109 15.691 -8.404 -3.222 1.00 1.65 H new ATOM 0 HD3 LYS A 109 16.816 -9.306 -4.218 1.00 1.65 H new ATOM 0 HE2 LYS A 109 14.864 -7.194 -5.234 1.00 2.65 H new ATOM 0 HE3 LYS A 109 16.577 -6.945 -4.964 1.00 2.65 H new ATOM 0 HZ1 LYS A 109 15.893 -7.411 -7.307 1.00 3.15 H new ATOM 0 HZ2 LYS A 109 17.127 -8.411 -6.706 1.00 3.15 H new ATOM 0 HZ3 LYS A 109 15.541 -9.003 -6.832 1.00 3.15 H new ATOM 1714 N VAL A 110 10.397 -11.303 -3.848 1.00 0.97 N ATOM 1715 CA VAL A 110 9.061 -11.330 -3.234 1.00 0.92 C ATOM 1716 C VAL A 110 9.201 -11.559 -1.725 1.00 0.94 C ATOM 1717 O VAL A 110 9.994 -12.411 -1.318 1.00 1.04 O ATOM 1718 CB VAL A 110 8.167 -12.424 -3.867 1.00 0.97 C ATOM 1719 CG1 VAL A 110 6.743 -12.395 -3.288 1.00 1.99 C ATOM 1720 CG2 VAL A 110 8.087 -12.252 -5.397 1.00 1.59 C ATOM 0 H VAL A 110 10.885 -12.195 -3.771 1.00 0.97 H new ATOM 0 HA VAL A 110 8.577 -10.370 -3.415 1.00 0.92 H new ATOM 0 HB VAL A 110 8.626 -13.384 -3.630 1.00 0.97 H new ATOM 0 HG11 VAL A 110 6.144 -13.176 -3.756 1.00 1.99 H new ATOM 0 HG12 VAL A 110 6.784 -12.564 -2.212 1.00 1.99 H new ATOM 0 HG13 VAL A 110 6.290 -11.424 -3.485 1.00 1.99 H new ATOM 0 HG21 VAL A 110 7.453 -13.032 -5.818 1.00 1.59 H new ATOM 0 HG22 VAL A 110 7.664 -11.275 -5.632 1.00 1.59 H new ATOM 0 HG23 VAL A 110 9.087 -12.327 -5.824 1.00 1.59 H new ATOM 1730 N LEU A 111 8.457 -10.798 -0.916 1.00 0.89 N ATOM 1731 CA LEU A 111 8.452 -10.901 0.547 1.00 0.93 C ATOM 1732 C LEU A 111 7.022 -10.820 1.087 1.00 0.91 C ATOM 1733 O LEU A 111 6.394 -9.766 1.008 1.00 1.31 O ATOM 1734 CB LEU A 111 9.331 -9.766 1.118 1.00 1.01 C ATOM 1735 CG LEU A 111 9.331 -9.657 2.659 1.00 1.35 C ATOM 1736 CD1 LEU A 111 9.908 -10.917 3.323 1.00 2.18 C ATOM 1737 CD2 LEU A 111 10.149 -8.428 3.079 1.00 1.82 C ATOM 0 H LEU A 111 7.827 -10.077 -1.268 1.00 0.89 H new ATOM 0 HA LEU A 111 8.858 -11.864 0.856 1.00 0.93 H new ATOM 0 HB2 LEU A 111 10.356 -9.914 0.779 1.00 1.01 H new ATOM 0 HB3 LEU A 111 8.991 -8.818 0.701 1.00 1.01 H new ATOM 0 HG LEU A 111 8.298 -9.555 2.991 1.00 1.35 H new ATOM 0 HD11 LEU A 111 9.889 -10.798 4.406 1.00 2.18 H new ATOM 0 HD12 LEU A 111 9.309 -11.783 3.043 1.00 2.18 H new ATOM 0 HD13 LEU A 111 10.936 -11.065 2.992 1.00 2.18 H new ATOM 0 HD21 LEU A 111 10.152 -8.347 4.166 1.00 1.82 H new ATOM 0 HD22 LEU A 111 11.173 -8.533 2.720 1.00 1.82 H new ATOM 0 HD23 LEU A 111 9.704 -7.531 2.649 1.00 1.82 H new ATOM 1749 N LYS A 112 6.519 -11.895 1.705 1.00 0.85 N ATOM 1750 CA LYS A 112 5.189 -11.857 2.323 1.00 0.91 C ATOM 1751 C LYS A 112 5.205 -11.176 3.702 1.00 0.86 C ATOM 1752 O LYS A 112 6.019 -11.499 4.565 1.00 1.07 O ATOM 1753 CB LYS A 112 4.535 -13.253 2.337 1.00 1.20 C ATOM 1754 CG LYS A 112 3.000 -13.107 2.393 1.00 1.64 C ATOM 1755 CD LYS A 112 2.217 -14.339 1.935 1.00 1.71 C ATOM 1756 CE LYS A 112 2.395 -15.546 2.860 1.00 1.79 C ATOM 1757 NZ LYS A 112 1.382 -16.581 2.548 1.00 2.20 N ATOM 0 H LYS A 112 7.004 -12.788 1.790 1.00 0.85 H new ATOM 0 HA LYS A 112 4.554 -11.228 1.699 1.00 0.91 H new ATOM 0 HB2 LYS A 112 4.825 -13.810 1.446 1.00 1.20 H new ATOM 0 HB3 LYS A 112 4.888 -13.822 3.197 1.00 1.20 H new ATOM 0 HG2 LYS A 112 2.710 -12.870 3.417 1.00 1.64 H new ATOM 0 HG3 LYS A 112 2.708 -12.259 1.774 1.00 1.64 H new ATOM 0 HD2 LYS A 112 1.158 -14.087 1.877 1.00 1.71 H new ATOM 0 HD3 LYS A 112 2.536 -14.611 0.929 1.00 1.71 H new ATOM 0 HE2 LYS A 112 3.397 -15.959 2.742 1.00 1.79 H new ATOM 0 HE3 LYS A 112 2.299 -15.234 3.900 1.00 1.79 H new ATOM 0 HZ1 LYS A 112 1.399 -17.316 3.283 1.00 2.20 H new ATOM 0 HZ2 LYS A 112 0.438 -16.145 2.517 1.00 2.20 H new ATOM 0 HZ3 LYS A 112 1.596 -17.009 1.625 1.00 2.20 H new ATOM 1771 N VAL A 113 4.267 -10.252 3.905 1.00 0.73 N ATOM 1772 CA VAL A 113 3.932 -9.546 5.150 1.00 0.79 C ATOM 1773 C VAL A 113 2.430 -9.763 5.421 1.00 0.72 C ATOM 1774 O VAL A 113 1.702 -10.280 4.573 1.00 0.72 O ATOM 1775 CB VAL A 113 4.278 -8.033 5.037 1.00 0.93 C ATOM 1776 CG1 VAL A 113 4.185 -7.274 6.379 1.00 1.85 C ATOM 1777 CG2 VAL A 113 5.719 -7.808 4.532 1.00 2.10 C ATOM 0 H VAL A 113 3.667 -9.949 3.138 1.00 0.73 H new ATOM 0 HA VAL A 113 4.518 -9.939 5.981 1.00 0.79 H new ATOM 0 HB VAL A 113 3.535 -7.651 4.336 1.00 0.93 H new ATOM 0 HG11 VAL A 113 4.440 -6.226 6.223 1.00 1.85 H new ATOM 0 HG12 VAL A 113 3.170 -7.347 6.768 1.00 1.85 H new ATOM 0 HG13 VAL A 113 4.880 -7.713 7.094 1.00 1.85 H new ATOM 0 HG21 VAL A 113 5.919 -6.738 4.468 1.00 2.10 H new ATOM 0 HG22 VAL A 113 6.423 -8.268 5.225 1.00 2.10 H new ATOM 0 HG23 VAL A 113 5.834 -8.258 3.546 1.00 2.10 H new ATOM 1787 N VAL A 114 1.954 -9.385 6.604 1.00 0.92 N ATOM 1788 CA VAL A 114 0.541 -9.464 7.027 1.00 0.95 C ATOM 1789 C VAL A 114 0.243 -8.257 7.912 1.00 0.90 C ATOM 1790 O VAL A 114 1.062 -7.934 8.771 1.00 1.00 O ATOM 1791 CB VAL A 114 0.228 -10.758 7.824 1.00 1.12 C ATOM 1792 CG1 VAL A 114 -1.288 -10.912 8.039 1.00 1.90 C ATOM 1793 CG2 VAL A 114 0.765 -12.035 7.150 1.00 1.43 C ATOM 0 H VAL A 114 2.558 -8.999 7.330 1.00 0.92 H new ATOM 0 HA VAL A 114 -0.080 -9.476 6.131 1.00 0.95 H new ATOM 0 HB VAL A 114 0.740 -10.646 8.780 1.00 1.12 H new ATOM 0 HG11 VAL A 114 -1.485 -11.826 8.600 1.00 1.90 H new ATOM 0 HG12 VAL A 114 -1.665 -10.055 8.597 1.00 1.90 H new ATOM 0 HG13 VAL A 114 -1.789 -10.964 7.072 1.00 1.90 H new ATOM 0 HG21 VAL A 114 0.512 -12.902 7.760 1.00 1.43 H new ATOM 0 HG22 VAL A 114 0.316 -12.142 6.163 1.00 1.43 H new ATOM 0 HG23 VAL A 114 1.848 -11.966 7.050 1.00 1.43 H new ATOM 1803 N LEU A 115 -0.892 -7.583 7.694 1.00 0.98 N ATOM 1804 CA LEU A 115 -1.355 -6.460 8.517 1.00 1.00 C ATOM 1805 C LEU A 115 -2.838 -6.656 8.918 1.00 0.91 C ATOM 1806 O LEU A 115 -3.593 -7.259 8.141 1.00 0.98 O ATOM 1807 CB LEU A 115 -1.205 -5.128 7.747 1.00 1.42 C ATOM 1808 CG LEU A 115 0.194 -4.498 7.561 1.00 2.40 C ATOM 1809 CD1 LEU A 115 1.082 -4.539 8.810 1.00 4.27 C ATOM 1810 CD2 LEU A 115 0.956 -5.065 6.363 1.00 1.92 C ATOM 0 H LEU A 115 -1.526 -7.807 6.927 1.00 0.98 H new ATOM 0 HA LEU A 115 -0.742 -6.426 9.417 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -1.628 -5.278 6.754 1.00 1.42 H new ATOM 0 HB3 LEU A 115 -1.829 -4.390 8.251 1.00 1.42 H new ATOM 0 HG LEU A 115 -0.031 -3.450 7.364 1.00 2.40 H new ATOM 0 HD11 LEU A 115 2.043 -4.076 8.588 1.00 4.27 H new ATOM 0 HD12 LEU A 115 0.596 -3.996 9.620 1.00 4.27 H new ATOM 0 HD13 LEU A 115 1.239 -5.575 9.111 1.00 4.27 H new ATOM 0 HD21 LEU A 115 1.930 -4.581 6.289 1.00 1.92 H new ATOM 0 HD22 LEU A 115 1.094 -6.138 6.494 1.00 1.92 H new ATOM 0 HD23 LEU A 115 0.389 -4.881 5.451 1.00 1.92 H new ATOM 1822 N PRO A 116 -3.283 -6.100 10.066 1.00 0.83 N ATOM 1823 CA PRO A 116 -4.688 -6.057 10.462 1.00 0.81 C ATOM 1824 C PRO A 116 -5.553 -5.219 9.510 1.00 0.80 C ATOM 1825 O PRO A 116 -5.045 -4.483 8.667 1.00 0.76 O ATOM 1826 CB PRO A 116 -4.704 -5.508 11.893 1.00 0.84 C ATOM 1827 CG PRO A 116 -3.428 -4.677 11.964 1.00 0.81 C ATOM 1828 CD PRO A 116 -2.467 -5.497 11.108 1.00 0.80 C ATOM 0 HA PRO A 116 -5.130 -7.052 10.414 1.00 0.81 H new ATOM 0 HB2 PRO A 116 -5.590 -4.902 12.081 1.00 0.84 H new ATOM 0 HB3 PRO A 116 -4.704 -6.310 12.631 1.00 0.84 H new ATOM 0 HG2 PRO A 116 -3.573 -3.672 11.566 1.00 0.81 H new ATOM 0 HG3 PRO A 116 -3.070 -4.566 12.987 1.00 0.81 H new ATOM 0 HD2 PRO A 116 -1.689 -4.866 10.679 1.00 0.80 H new ATOM 0 HD3 PRO A 116 -1.966 -6.260 11.704 1.00 0.80 H new ATOM 1836 N VAL A 117 -6.875 -5.316 9.653 1.00 0.94 N ATOM 1837 CA VAL A 117 -7.849 -4.486 8.930 1.00 0.91 C ATOM 1838 C VAL A 117 -8.513 -3.474 9.870 1.00 1.00 C ATOM 1839 O VAL A 117 -9.054 -3.841 10.916 1.00 1.14 O ATOM 1840 CB VAL A 117 -8.917 -5.354 8.245 1.00 0.90 C ATOM 1841 CG1 VAL A 117 -9.948 -4.505 7.481 1.00 0.92 C ATOM 1842 CG2 VAL A 117 -8.288 -6.349 7.260 1.00 0.90 C ATOM 0 H VAL A 117 -7.311 -5.986 10.286 1.00 0.94 H new ATOM 0 HA VAL A 117 -7.306 -3.938 8.160 1.00 0.91 H new ATOM 0 HB VAL A 117 -9.420 -5.896 9.046 1.00 0.90 H new ATOM 0 HG11 VAL A 117 -10.683 -5.160 7.013 1.00 0.92 H new ATOM 0 HG12 VAL A 117 -10.451 -3.832 8.175 1.00 0.92 H new ATOM 0 HG13 VAL A 117 -9.441 -3.921 6.713 1.00 0.92 H new ATOM 0 HG21 VAL A 117 -9.073 -6.946 6.795 1.00 0.90 H new ATOM 0 HG22 VAL A 117 -7.742 -5.803 6.490 1.00 0.90 H new ATOM 0 HG23 VAL A 117 -7.602 -7.006 7.795 1.00 0.90 H new ATOM 1852 N GLU A 118 -8.502 -2.197 9.467 1.00 1.04 N ATOM 1853 CA GLU A 118 -9.056 -1.069 10.211 1.00 1.15 C ATOM 1854 C GLU A 118 -10.155 -0.333 9.427 1.00 1.13 C ATOM 1855 O GLU A 118 -10.094 -0.214 8.199 1.00 1.34 O ATOM 1856 CB GLU A 118 -7.924 -0.087 10.544 1.00 1.60 C ATOM 1857 CG GLU A 118 -8.144 0.526 11.916 1.00 2.67 C ATOM 1858 CD GLU A 118 -7.277 1.765 12.103 1.00 3.78 C ATOM 1859 OE1 GLU A 118 -6.085 1.648 12.444 1.00 4.27 O ATOM 1860 OE2 GLU A 118 -7.768 2.880 11.854 1.00 5.12 O ATOM 0 H GLU A 118 -8.089 -1.915 8.578 1.00 1.04 H new ATOM 0 HA GLU A 118 -9.512 -1.461 11.120 1.00 1.15 H new ATOM 0 HB2 GLU A 118 -6.965 -0.605 10.519 1.00 1.60 H new ATOM 0 HB3 GLU A 118 -7.881 0.699 9.790 1.00 1.60 H new ATOM 0 HG2 GLU A 118 -9.194 0.791 12.036 1.00 2.67 H new ATOM 0 HG3 GLU A 118 -7.910 -0.207 12.688 1.00 2.67 H new ATOM 1867 N ALA A 119 -11.145 0.201 10.151 1.00 1.19 N ATOM 1868 CA ALA A 119 -12.272 0.951 9.598 1.00 1.39 C ATOM 1869 C ALA A 119 -12.034 2.470 9.664 1.00 1.79 C ATOM 1870 O ALA A 119 -12.652 3.177 10.461 1.00 2.71 O ATOM 1871 CB ALA A 119 -13.559 0.480 10.293 1.00 1.65 C ATOM 0 H ALA A 119 -11.183 0.119 11.167 1.00 1.19 H new ATOM 0 HA ALA A 119 -12.379 0.747 8.533 1.00 1.39 H new ATOM 0 HB1 ALA A 119 -14.411 1.030 9.892 1.00 1.65 H new ATOM 0 HB2 ALA A 119 -13.699 -0.586 10.115 1.00 1.65 H new ATOM 0 HB3 ALA A 119 -13.481 0.662 11.365 1.00 1.65 H new ATOM 1877 N ARG A 120 -11.122 2.951 8.812 1.00 1.78 N ATOM 1878 CA ARG A 120 -10.683 4.337 8.676 1.00 2.25 C ATOM 1879 C ARG A 120 -10.561 4.720 7.207 1.00 2.78 C ATOM 1880 O ARG A 120 -10.028 3.893 6.434 1.00 3.59 O ATOM 1881 CB ARG A 120 -9.326 4.434 9.371 1.00 3.03 C ATOM 1882 CG ARG A 120 -8.929 5.885 9.612 1.00 4.13 C ATOM 1883 CD ARG A 120 -7.417 6.090 9.795 1.00 5.16 C ATOM 1884 NE ARG A 120 -6.810 5.169 10.771 1.00 5.88 N ATOM 1885 CZ ARG A 120 -5.616 5.221 11.315 1.00 7.09 C ATOM 1886 NH1 ARG A 120 -4.862 6.277 11.194 1.00 7.75 N ATOM 1887 NH2 ARG A 120 -5.157 4.234 12.017 1.00 8.17 N ATOM 1888 OXT ARG A 120 -10.918 5.855 6.837 1.00 3.28 O ATOM 0 H ARG A 120 -10.640 2.337 8.156 1.00 1.78 H new ATOM 0 HA ARG A 120 -11.403 5.021 9.125 1.00 2.25 H new ATOM 0 HB2 ARG A 120 -9.363 3.902 10.322 1.00 3.03 H new ATOM 0 HB3 ARG A 120 -8.567 3.944 8.761 1.00 3.03 H new ATOM 0 HG2 ARG A 120 -9.270 6.490 8.772 1.00 4.13 H new ATOM 0 HG3 ARG A 120 -9.446 6.251 10.499 1.00 4.13 H new ATOM 0 HD2 ARG A 120 -6.923 5.963 8.832 1.00 5.16 H new ATOM 0 HD3 ARG A 120 -7.234 7.116 10.114 1.00 5.16 H new ATOM 0 HE ARG A 120 -7.395 4.386 11.063 1.00 5.88 H new ATOM 0 HH11 ARG A 120 -5.196 7.085 10.668 1.00 7.75 H new ATOM 0 HH12 ARG A 120 -3.938 6.296 11.625 1.00 7.75 H new ATOM 0 HH21 ARG A 120 -5.725 3.398 12.155 1.00 8.17 H new ATOM 0 HH22 ARG A 120 -4.227 4.292 12.432 1.00 8.17 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -5.626 4.861 -4.054 1.00 0.52 CU