USER MOD reduce.3.24.130724 H: found=0, std=0, add=1359, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot 110:sc= 0.352 USER MOD Set 1.2: A 157 LYS NZ :NH3+ -163:sc= 0.929 (180deg=0.00316) USER MOD Set 2.1: A 138 THR OG1 : rot -92:sc= 0.0677 USER MOD Set 2.2: A 140 THR OG1 : rot -172:sc=-0.00195 USER MOD Set 3.1: A 125 SER OG : rot -125:sc= 1.31 USER MOD Set 3.2: A 126 GLN : amide:sc= 1.69 K(o=3,f=-8.5!) USER MOD Set 4.1: A 79 SER OG : rot -175:sc= 0.787 USER MOD Set 4.2: A 105 SER OG : rot 128:sc= 0.28 USER MOD Set 5.1: A 62 TYR OH : rot 45:sc= 1.53 USER MOD Set 5.2: A 70 GLN : amide:sc= 1.07 X(o=2.6,f=2.8) USER MOD Set 5.3: A 98 HIS : no HD1:sc= -0.399 X(o=2.6,f=2.8) USER MOD Set 5.4: A 100 SER OG : rot -173:sc= 0.353 USER MOD Set 6.1: A 47 CYS SG : rot 166:sc= 0.0216 USER MOD Set 6.2: A 137 HIS : no HE2:sc=0.000893 K(o=0.022,f=-2.9!) USER MOD Set 7.1: A 31 SER OG : rot 56:sc= 1.28 USER MOD Set 7.2: A 32 GLN : amide:sc= 0.639 K(o=1.9,f=-1.7!) USER MOD Set 8.1: A 4 HIS : no HD1:sc= 0.347 K(o=0.74,f=-6.9!) USER MOD Set 8.2: A 5 THR OG1 : rot 88:sc= 0.396 USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0.697 (180deg=0.632) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=0.000581 X(o=0.00058,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.985) USER MOD Single : A 25 GLN : amide:sc=-0.00217 X(o=-0.0022,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.363 K(o=0.36,f=-4.3!) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 1.01 (180deg=0.829) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.0593 USER MOD Single : A 51 CYS SG : rot 59:sc= -0.78 USER MOD Single : A 53 THR OG1 : rot 151:sc= 1.24 USER MOD Single : A 54 THR OG1 : rot 20:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 1.78 (180deg=1.66) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0.825 (180deg=0.66) USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= 0.0344 (180deg=-0.565) USER MOD Single : A 74 GLN : amide:sc= 1.22 K(o=1.2,f=-3.3!) USER MOD Single : A 93 TYR OH : rot 129:sc= 0.168 USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= 1.58 (180deg=1.05) USER MOD Single : A 107 SER OG : rot 80:sc= 1.82 USER MOD Single : A 116 GLN : amide:sc=-0.00311 X(o=-0.0031,f=-0.2) USER MOD Single : A 117 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.23) USER MOD Single : A 124 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.886) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot -16:sc= 1.24 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -111:sc= 1.78 (180deg=-0.19) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0.00413 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.833 20.191 6.391 1.00 9.91 N ATOM 2 CA GLY A 1 19.150 19.920 5.779 1.00 9.81 C ATOM 3 C GLY A 1 19.088 18.578 5.081 1.00 9.48 C ATOM 4 O GLY A 1 18.002 18.212 4.646 1.00 9.84 O ATOM 0 H1 GLY A 1 17.790 21.184 6.697 1.00 9.91 H new ATOM 0 H2 GLY A 1 17.083 20.010 5.694 1.00 9.91 H new ATOM 0 H3 GLY A 1 17.698 19.569 7.214 1.00 9.91 H new ATOM 0 HA2 GLY A 1 19.406 20.705 5.068 1.00 9.81 H new ATOM 0 HA3 GLY A 1 19.928 19.915 6.542 1.00 9.81 H new ATOM 10 N ALA A 2 20.191 17.830 5.014 1.00 9.00 N ATOM 11 CA ALA A 2 20.166 16.432 4.577 1.00 8.55 C ATOM 12 C ALA A 2 19.601 15.543 5.702 1.00 6.74 C ATOM 13 O ALA A 2 20.336 15.104 6.583 1.00 6.52 O ATOM 14 CB ALA A 2 21.581 16.025 4.144 1.00 9.72 C ATOM 0 H ALA A 2 21.120 18.172 5.259 1.00 9.00 H new ATOM 0 HA ALA A 2 19.507 16.303 3.718 1.00 8.55 H new ATOM 0 HB1 ALA A 2 21.576 14.985 3.816 1.00 9.72 H new ATOM 0 HB2 ALA A 2 21.908 16.663 3.323 1.00 9.72 H new ATOM 0 HB3 ALA A 2 22.265 16.137 4.985 1.00 9.72 H new ATOM 20 N MET A 3 18.281 15.328 5.687 1.00 6.06 N ATOM 21 CA MET A 3 17.538 14.537 6.681 1.00 4.93 C ATOM 22 C MET A 3 16.412 13.748 5.993 1.00 4.75 C ATOM 23 O MET A 3 15.234 13.992 6.219 1.00 5.50 O ATOM 24 CB MET A 3 16.997 15.432 7.819 1.00 6.08 C ATOM 25 CG MET A 3 18.089 16.029 8.721 1.00 6.39 C ATOM 26 SD MET A 3 18.677 17.690 8.289 1.00 7.67 S ATOM 27 CE MET A 3 20.124 17.727 9.371 1.00 7.97 C ATOM 0 H MET A 3 17.678 15.712 4.959 1.00 6.06 H new ATOM 0 HA MET A 3 18.222 13.822 7.139 1.00 4.93 H new ATOM 0 HB2 MET A 3 16.417 16.245 7.383 1.00 6.08 H new ATOM 0 HB3 MET A 3 16.313 14.846 8.433 1.00 6.08 H new ATOM 0 HG2 MET A 3 17.710 16.056 9.743 1.00 6.39 H new ATOM 0 HG3 MET A 3 18.944 15.352 8.716 1.00 6.39 H new ATOM 0 HE1 MET A 3 20.639 18.681 9.258 1.00 7.97 H new ATOM 0 HE2 MET A 3 19.807 17.607 10.407 1.00 7.97 H new ATOM 0 HE3 MET A 3 20.800 16.916 9.102 1.00 7.97 H new ATOM 37 N HIS A 4 16.782 12.828 5.108 1.00 3.88 N ATOM 38 CA HIS A 4 15.874 11.922 4.401 1.00 3.85 C ATOM 39 C HIS A 4 16.629 10.642 4.008 1.00 3.55 C ATOM 40 O HIS A 4 17.858 10.695 3.902 1.00 3.33 O ATOM 41 CB HIS A 4 15.292 12.625 3.158 1.00 4.45 C ATOM 42 CG HIS A 4 16.288 13.038 2.092 1.00 6.05 C ATOM 43 ND1 HIS A 4 17.424 12.366 1.690 1.00 7.16 N ATOM 44 CD2 HIS A 4 16.212 14.172 1.329 1.00 7.46 C ATOM 45 CE1 HIS A 4 18.027 13.088 0.734 1.00 8.80 C ATOM 46 NE2 HIS A 4 17.311 14.192 0.461 1.00 8.98 N ATOM 0 H HIS A 4 17.759 12.685 4.852 1.00 3.88 H new ATOM 0 HA HIS A 4 15.046 11.649 5.055 1.00 3.85 H new ATOM 0 HB2 HIS A 4 14.558 11.961 2.702 1.00 4.45 H new ATOM 0 HB3 HIS A 4 14.755 13.515 3.488 1.00 4.45 H new ATOM 0 HD2 HIS A 4 15.437 14.922 1.386 1.00 7.46 H new ATOM 0 HE1 HIS A 4 18.956 12.820 0.252 1.00 8.80 H new ATOM 0 HE2 HIS A 4 17.525 14.903 -0.239 1.00 8.98 H new ATOM 55 N THR A 5 15.904 9.546 3.723 1.00 4.09 N ATOM 56 CA THR A 5 16.457 8.265 3.230 1.00 4.00 C ATOM 57 C THR A 5 17.132 7.530 4.385 1.00 2.59 C ATOM 58 O THR A 5 18.307 7.174 4.358 1.00 3.36 O ATOM 59 CB THR A 5 17.373 8.437 2.003 1.00 5.66 C ATOM 60 OG1 THR A 5 16.733 9.306 1.094 1.00 7.34 O ATOM 61 CG2 THR A 5 17.602 7.123 1.258 1.00 6.81 C ATOM 0 H THR A 5 14.890 9.523 3.831 1.00 4.09 H new ATOM 0 HA THR A 5 15.634 7.650 2.866 1.00 4.00 H new ATOM 0 HB THR A 5 18.330 8.816 2.361 1.00 5.66 H new ATOM 0 HG1 THR A 5 16.966 10.233 1.308 1.00 7.34 H new ATOM 0 HG21 THR A 5 18.254 7.299 0.402 1.00 6.81 H new ATOM 0 HG22 THR A 5 18.070 6.402 1.928 1.00 6.81 H new ATOM 0 HG23 THR A 5 16.646 6.730 0.911 1.00 6.81 H new ATOM 69 N PHE A 6 16.338 7.330 5.430 1.00 1.64 N ATOM 70 CA PHE A 6 16.718 6.640 6.653 1.00 2.43 C ATOM 71 C PHE A 6 16.643 5.115 6.497 1.00 2.98 C ATOM 72 O PHE A 6 17.207 4.385 7.320 1.00 3.90 O ATOM 73 CB PHE A 6 15.774 7.139 7.750 1.00 4.34 C ATOM 74 CG PHE A 6 15.972 8.603 8.103 1.00 5.12 C ATOM 75 CD1 PHE A 6 16.999 8.984 8.987 1.00 6.44 C ATOM 76 CD2 PHE A 6 15.119 9.586 7.563 1.00 5.11 C ATOM 77 CE1 PHE A 6 17.161 10.335 9.344 1.00 7.40 C ATOM 78 CE2 PHE A 6 15.270 10.932 7.932 1.00 5.98 C ATOM 79 CZ PHE A 6 16.291 11.308 8.823 1.00 7.04 C ATOM 0 H PHE A 6 15.372 7.658 5.447 1.00 1.64 H new ATOM 0 HA PHE A 6 17.756 6.857 6.906 1.00 2.43 H new ATOM 0 HB2 PHE A 6 14.744 6.988 7.428 1.00 4.34 H new ATOM 0 HB3 PHE A 6 15.920 6.535 8.646 1.00 4.34 H new ATOM 0 HD1 PHE A 6 17.665 8.237 9.393 1.00 6.44 H new ATOM 0 HD2 PHE A 6 14.347 9.303 6.863 1.00 5.11 H new ATOM 0 HE1 PHE A 6 17.954 10.624 10.018 1.00 7.40 H new ATOM 0 HE2 PHE A 6 14.601 11.680 7.531 1.00 5.98 H new ATOM 0 HZ PHE A 6 16.406 12.344 9.107 1.00 7.04 H new ATOM 89 N TYR A 7 15.966 4.627 5.446 1.00 1.64 N ATOM 90 CA TYR A 7 15.906 3.206 5.074 1.00 1.54 C ATOM 91 C TYR A 7 15.279 2.930 3.700 1.00 1.43 C ATOM 92 O TYR A 7 15.584 1.901 3.086 1.00 1.45 O ATOM 93 CB TYR A 7 15.137 2.429 6.159 1.00 1.86 C ATOM 94 CG TYR A 7 15.636 1.031 6.488 1.00 1.61 C ATOM 95 CD1 TYR A 7 17.004 0.801 6.737 1.00 2.40 C ATOM 96 CD2 TYR A 7 14.713 -0.020 6.647 1.00 2.48 C ATOM 97 CE1 TYR A 7 17.454 -0.480 7.105 1.00 2.96 C ATOM 98 CE2 TYR A 7 15.152 -1.304 7.030 1.00 2.70 C ATOM 99 CZ TYR A 7 16.529 -1.538 7.243 1.00 2.60 C ATOM 100 OH TYR A 7 16.977 -2.772 7.596 1.00 3.42 O ATOM 0 H TYR A 7 15.432 5.225 4.816 1.00 1.64 H new ATOM 0 HA TYR A 7 16.940 2.869 4.999 1.00 1.54 H new ATOM 0 HB2 TYR A 7 15.154 3.019 7.075 1.00 1.86 H new ATOM 0 HB3 TYR A 7 14.095 2.353 5.848 1.00 1.86 H new ATOM 0 HD1 TYR A 7 17.711 1.613 6.645 1.00 2.40 H new ATOM 0 HD2 TYR A 7 13.662 0.158 6.475 1.00 2.48 H new ATOM 0 HE1 TYR A 7 18.505 -0.654 7.282 1.00 2.96 H new ATOM 0 HE2 TYR A 7 14.439 -2.105 7.160 1.00 2.70 H new ATOM 0 HH TYR A 7 16.220 -3.392 7.651 1.00 3.42 H new ATOM 110 N GLY A 8 14.399 3.796 3.195 1.00 1.24 N ATOM 111 CA GLY A 8 13.666 3.555 1.951 1.00 1.21 C ATOM 112 C GLY A 8 14.527 3.721 0.696 1.00 1.23 C ATOM 113 O GLY A 8 15.604 4.312 0.724 1.00 1.50 O ATOM 0 H GLY A 8 14.174 4.687 3.638 1.00 1.24 H new ATOM 0 HA2 GLY A 8 13.255 2.546 1.970 1.00 1.21 H new ATOM 0 HA3 GLY A 8 12.821 4.242 1.897 1.00 1.21 H new ATOM 117 N THR A 9 14.057 3.169 -0.430 1.00 1.05 N ATOM 118 CA THR A 9 14.725 3.287 -1.739 1.00 1.07 C ATOM 119 C THR A 9 14.252 4.577 -2.403 1.00 1.18 C ATOM 120 O THR A 9 13.283 4.604 -3.164 1.00 1.06 O ATOM 121 CB THR A 9 14.428 2.078 -2.618 1.00 1.24 C ATOM 122 OG1 THR A 9 14.620 0.868 -1.913 1.00 1.51 O ATOM 123 CG2 THR A 9 15.314 2.038 -3.863 1.00 1.32 C ATOM 0 H THR A 9 13.196 2.623 -0.462 1.00 1.05 H new ATOM 0 HA THR A 9 15.806 3.319 -1.599 1.00 1.07 H new ATOM 0 HB THR A 9 13.385 2.180 -2.917 1.00 1.24 H new ATOM 0 HG1 THR A 9 13.752 0.443 -1.750 1.00 1.51 H new ATOM 0 HG21 THR A 9 15.066 1.159 -4.458 1.00 1.32 H new ATOM 0 HG22 THR A 9 15.148 2.937 -4.457 1.00 1.32 H new ATOM 0 HG23 THR A 9 16.361 1.989 -3.563 1.00 1.32 H new ATOM 131 N ARG A 10 14.884 5.677 -2.010 1.00 1.04 N ATOM 132 CA ARG A 10 14.477 7.042 -2.351 1.00 1.04 C ATOM 133 C ARG A 10 14.800 7.401 -3.797 1.00 1.37 C ATOM 134 O ARG A 10 15.936 7.273 -4.243 1.00 1.66 O ATOM 135 CB ARG A 10 15.127 7.992 -1.341 1.00 1.20 C ATOM 136 CG ARG A 10 14.810 9.490 -1.513 1.00 1.42 C ATOM 137 CD ARG A 10 15.972 10.262 -2.167 1.00 2.01 C ATOM 138 NE ARG A 10 15.987 11.687 -1.779 1.00 2.31 N ATOM 139 CZ ARG A 10 15.516 12.728 -2.461 1.00 2.82 C ATOM 140 NH1 ARG A 10 14.846 12.595 -3.590 1.00 3.49 N ATOM 141 NH2 ARG A 10 15.723 13.945 -2.003 1.00 3.42 N ATOM 0 H ARG A 10 15.720 5.646 -1.427 1.00 1.04 H new ATOM 0 HA ARG A 10 13.393 7.132 -2.284 1.00 1.04 H new ATOM 0 HB2 ARG A 10 14.820 7.690 -0.340 1.00 1.20 H new ATOM 0 HB3 ARG A 10 16.208 7.862 -1.395 1.00 1.20 H new ATOM 0 HG2 ARG A 10 13.914 9.602 -2.123 1.00 1.42 H new ATOM 0 HG3 ARG A 10 14.589 9.927 -0.539 1.00 1.42 H new ATOM 0 HD2 ARG A 10 16.918 9.800 -1.883 1.00 2.01 H new ATOM 0 HD3 ARG A 10 15.893 10.184 -3.251 1.00 2.01 H new ATOM 0 HE ARG A 10 16.411 11.900 -0.876 1.00 2.31 H new ATOM 0 HH11 ARG A 10 14.671 11.666 -3.973 1.00 3.49 H new ATOM 0 HH12 ARG A 10 14.503 13.421 -4.080 1.00 3.49 H new ATOM 0 HH21 ARG A 10 16.240 14.082 -1.134 1.00 3.42 H new ATOM 0 HH22 ARG A 10 15.367 14.751 -2.517 1.00 3.42 H new ATOM 155 N LEU A 11 13.785 7.876 -4.519 1.00 1.00 N ATOM 156 CA LEU A 11 13.845 8.144 -5.958 1.00 1.07 C ATOM 157 C LEU A 11 14.430 9.531 -6.262 1.00 1.56 C ATOM 158 O LEU A 11 14.459 10.414 -5.397 1.00 2.21 O ATOM 159 CB LEU A 11 12.442 7.951 -6.574 1.00 0.93 C ATOM 160 CG LEU A 11 11.794 6.572 -6.305 1.00 1.00 C ATOM 161 CD1 LEU A 11 10.427 6.498 -6.999 1.00 0.95 C ATOM 162 CD2 LEU A 11 12.673 5.409 -6.784 1.00 1.19 C ATOM 0 H LEU A 11 12.875 8.091 -4.110 1.00 1.00 H new ATOM 0 HA LEU A 11 14.527 7.430 -6.420 1.00 1.07 H new ATOM 0 HB2 LEU A 11 11.782 8.727 -6.187 1.00 0.93 H new ATOM 0 HB3 LEU A 11 12.511 8.099 -7.652 1.00 0.93 H new ATOM 0 HG LEU A 11 11.678 6.474 -5.226 1.00 1.00 H new ATOM 0 HD11 LEU A 11 9.974 5.525 -6.807 1.00 0.95 H new ATOM 0 HD12 LEU A 11 9.779 7.283 -6.610 1.00 0.95 H new ATOM 0 HD13 LEU A 11 10.556 6.633 -8.073 1.00 0.95 H new ATOM 0 HD21 LEU A 11 12.173 4.464 -6.572 1.00 1.19 H new ATOM 0 HD22 LEU A 11 12.841 5.498 -7.857 1.00 1.19 H new ATOM 0 HD23 LEU A 11 13.630 5.438 -6.263 1.00 1.19 H new ATOM 174 N LEU A 12 14.909 9.709 -7.502 1.00 1.11 N ATOM 175 CA LEU A 12 15.539 10.941 -8.004 1.00 1.29 C ATOM 176 C LEU A 12 14.669 11.670 -9.043 1.00 1.58 C ATOM 177 O LEU A 12 14.503 12.880 -8.945 1.00 2.00 O ATOM 178 CB LEU A 12 16.924 10.617 -8.593 1.00 1.54 C ATOM 179 CG LEU A 12 18.066 10.594 -7.556 1.00 1.96 C ATOM 180 CD1 LEU A 12 17.986 9.424 -6.563 1.00 3.23 C ATOM 181 CD2 LEU A 12 19.403 10.532 -8.304 1.00 3.01 C ATOM 0 H LEU A 12 14.867 8.974 -8.208 1.00 1.11 H new ATOM 0 HA LEU A 12 15.650 11.619 -7.157 1.00 1.29 H new ATOM 0 HB2 LEU A 12 16.878 9.646 -9.087 1.00 1.54 H new ATOM 0 HB3 LEU A 12 17.161 11.354 -9.360 1.00 1.54 H new ATOM 0 HG LEU A 12 17.974 11.503 -6.962 1.00 1.96 H new ATOM 0 HD11 LEU A 12 18.824 9.479 -5.868 1.00 3.23 H new ATOM 0 HD12 LEU A 12 17.050 9.481 -6.008 1.00 3.23 H new ATOM 0 HD13 LEU A 12 18.028 8.481 -7.108 1.00 3.23 H new ATOM 0 HD21 LEU A 12 20.222 10.515 -7.585 1.00 3.01 H new ATOM 0 HD22 LEU A 12 19.437 9.629 -8.914 1.00 3.01 H new ATOM 0 HD23 LEU A 12 19.502 11.407 -8.946 1.00 3.01 H new ATOM 193 N ASN A 13 14.099 10.949 -10.016 1.00 1.31 N ATOM 194 CA ASN A 13 13.268 11.503 -11.093 1.00 1.51 C ATOM 195 C ASN A 13 11.817 10.977 -10.948 1.00 1.49 C ATOM 196 O ASN A 13 11.514 9.895 -11.467 1.00 1.62 O ATOM 197 CB ASN A 13 13.921 11.134 -12.439 1.00 1.87 C ATOM 198 CG ASN A 13 13.203 11.757 -13.631 1.00 2.34 C ATOM 199 OD1 ASN A 13 13.528 12.843 -14.079 1.00 3.39 O ATOM 200 ND2 ASN A 13 12.187 11.100 -14.156 1.00 2.92 N ATOM 0 H ASN A 13 14.206 9.936 -10.078 1.00 1.31 H new ATOM 0 HA ASN A 13 13.207 12.590 -11.040 1.00 1.51 H new ATOM 0 HB2 ASN A 13 14.961 11.460 -12.435 1.00 1.87 H new ATOM 0 HB3 ASN A 13 13.928 10.050 -12.550 1.00 1.87 H new ATOM 0 HD21 ASN A 13 11.671 11.500 -14.939 1.00 2.92 H new ATOM 0 HD22 ASN A 13 11.918 10.191 -13.779 1.00 2.92 H new ATOM 207 N PRO A 14 10.948 11.668 -10.181 1.00 1.30 N ATOM 208 CA PRO A 14 9.677 11.120 -9.716 1.00 1.25 C ATOM 209 C PRO A 14 8.589 11.175 -10.793 1.00 1.35 C ATOM 210 O PRO A 14 8.199 12.236 -11.275 1.00 1.42 O ATOM 211 CB PRO A 14 9.320 11.942 -8.471 1.00 1.29 C ATOM 212 CG PRO A 14 9.944 13.306 -8.759 1.00 1.34 C ATOM 213 CD PRO A 14 11.229 12.920 -9.486 1.00 1.37 C ATOM 0 HA PRO A 14 9.758 10.059 -9.481 1.00 1.25 H new ATOM 0 HB2 PRO A 14 8.241 12.014 -8.333 1.00 1.29 H new ATOM 0 HB3 PRO A 14 9.728 11.496 -7.564 1.00 1.29 H new ATOM 0 HG2 PRO A 14 9.297 13.928 -9.377 1.00 1.34 H new ATOM 0 HG3 PRO A 14 10.145 13.864 -7.845 1.00 1.34 H new ATOM 0 HD2 PRO A 14 11.525 13.697 -10.190 1.00 1.37 H new ATOM 0 HD3 PRO A 14 12.052 12.797 -8.782 1.00 1.37 H new ATOM 221 N LYS A 15 8.068 9.996 -11.145 1.00 1.05 N ATOM 222 CA LYS A 15 7.023 9.815 -12.155 1.00 1.01 C ATOM 223 C LYS A 15 5.619 10.086 -11.571 1.00 1.13 C ATOM 224 O LYS A 15 5.306 9.554 -10.502 1.00 1.23 O ATOM 225 CB LYS A 15 7.114 8.377 -12.689 1.00 1.12 C ATOM 226 CG LYS A 15 6.264 8.114 -13.948 1.00 1.64 C ATOM 227 CD LYS A 15 6.025 6.626 -14.258 1.00 1.97 C ATOM 228 CE LYS A 15 4.997 6.011 -13.294 1.00 2.17 C ATOM 229 NZ LYS A 15 4.560 4.655 -13.712 1.00 2.83 N ATOM 0 H LYS A 15 8.370 9.118 -10.723 1.00 1.05 H new ATOM 0 HA LYS A 15 7.176 10.530 -12.964 1.00 1.01 H new ATOM 0 HB2 LYS A 15 8.156 8.151 -12.914 1.00 1.12 H new ATOM 0 HB3 LYS A 15 6.801 7.689 -11.903 1.00 1.12 H new ATOM 0 HG2 LYS A 15 5.299 8.607 -13.829 1.00 1.64 H new ATOM 0 HG3 LYS A 15 6.754 8.576 -14.805 1.00 1.64 H new ATOM 0 HD2 LYS A 15 5.674 6.518 -15.284 1.00 1.97 H new ATOM 0 HD3 LYS A 15 6.966 6.082 -14.184 1.00 1.97 H new ATOM 0 HE2 LYS A 15 5.429 5.957 -12.295 1.00 2.17 H new ATOM 0 HE3 LYS A 15 4.127 6.665 -13.231 1.00 2.17 H new ATOM 0 HZ1 LYS A 15 4.062 4.193 -12.925 1.00 2.83 H new ATOM 0 HZ2 LYS A 15 3.921 4.733 -14.529 1.00 2.83 H new ATOM 0 HZ3 LYS A 15 5.391 4.088 -13.976 1.00 2.83 H new ATOM 243 N PRO A 16 4.751 10.839 -12.275 1.00 0.88 N ATOM 244 CA PRO A 16 3.353 11.013 -11.891 1.00 0.90 C ATOM 245 C PRO A 16 2.622 9.676 -12.017 1.00 1.04 C ATOM 246 O PRO A 16 2.957 8.864 -12.883 1.00 0.93 O ATOM 247 CB PRO A 16 2.802 12.105 -12.807 1.00 1.07 C ATOM 248 CG PRO A 16 3.671 12.011 -14.063 1.00 1.08 C ATOM 249 CD PRO A 16 5.010 11.455 -13.567 1.00 0.99 C ATOM 0 HA PRO A 16 3.223 11.319 -10.853 1.00 0.90 H new ATOM 0 HB2 PRO A 16 1.750 11.939 -13.037 1.00 1.07 H new ATOM 0 HB3 PRO A 16 2.876 13.089 -12.344 1.00 1.07 H new ATOM 0 HG2 PRO A 16 3.221 11.355 -14.808 1.00 1.08 H new ATOM 0 HG3 PRO A 16 3.796 12.987 -14.532 1.00 1.08 H new ATOM 0 HD2 PRO A 16 5.411 10.726 -14.271 1.00 0.99 H new ATOM 0 HD3 PRO A 16 5.750 12.250 -13.476 1.00 0.99 H new ATOM 257 N VAL A 17 1.652 9.439 -11.133 1.00 0.68 N ATOM 258 CA VAL A 17 0.895 8.187 -11.008 1.00 0.66 C ATOM 259 C VAL A 17 -0.494 8.479 -10.447 1.00 1.10 C ATOM 260 O VAL A 17 -0.634 9.259 -9.511 1.00 1.24 O ATOM 261 CB VAL A 17 1.581 7.135 -10.092 1.00 0.70 C ATOM 262 CG1 VAL A 17 2.829 6.522 -10.750 1.00 0.79 C ATOM 263 CG2 VAL A 17 1.984 7.653 -8.695 1.00 0.86 C ATOM 0 H VAL A 17 1.358 10.142 -10.455 1.00 0.68 H new ATOM 0 HA VAL A 17 0.841 7.764 -12.011 1.00 0.66 H new ATOM 0 HB VAL A 17 0.806 6.381 -9.955 1.00 0.70 H new ATOM 0 HG11 VAL A 17 3.276 5.793 -10.074 1.00 0.79 H new ATOM 0 HG12 VAL A 17 2.545 6.029 -11.680 1.00 0.79 H new ATOM 0 HG13 VAL A 17 3.552 7.309 -10.963 1.00 0.79 H new ATOM 0 HG21 VAL A 17 2.454 6.848 -8.130 1.00 0.86 H new ATOM 0 HG22 VAL A 17 2.686 8.480 -8.802 1.00 0.86 H new ATOM 0 HG23 VAL A 17 1.096 7.998 -8.165 1.00 0.86 H new ATOM 273 N ASP A 18 -1.504 7.786 -10.968 1.00 0.68 N ATOM 274 CA ASP A 18 -2.831 7.684 -10.366 1.00 0.73 C ATOM 275 C ASP A 18 -3.501 6.362 -10.775 1.00 0.87 C ATOM 276 O ASP A 18 -2.876 5.538 -11.442 1.00 1.32 O ATOM 277 CB ASP A 18 -3.664 8.978 -10.571 1.00 1.11 C ATOM 278 CG ASP A 18 -4.582 9.095 -11.796 1.00 1.57 C ATOM 279 OD1 ASP A 18 -4.736 8.152 -12.600 1.00 2.88 O ATOM 280 OD2 ASP A 18 -5.335 10.094 -11.828 1.00 2.34 O ATOM 0 H ASP A 18 -1.420 7.267 -11.842 1.00 0.68 H new ATOM 0 HA ASP A 18 -2.745 7.626 -9.281 1.00 0.73 H new ATOM 0 HB2 ASP A 18 -4.283 9.113 -9.684 1.00 1.11 H new ATOM 0 HB3 ASP A 18 -2.966 9.815 -10.603 1.00 1.11 H new ATOM 285 N PHE A 19 -4.743 6.129 -10.344 1.00 0.72 N ATOM 286 CA PHE A 19 -5.538 4.950 -10.711 1.00 0.81 C ATOM 287 C PHE A 19 -6.996 5.095 -10.265 1.00 1.56 C ATOM 288 O PHE A 19 -7.337 6.004 -9.507 1.00 1.73 O ATOM 289 CB PHE A 19 -4.919 3.653 -10.144 1.00 0.91 C ATOM 290 CG PHE A 19 -4.829 3.583 -8.632 1.00 0.99 C ATOM 291 CD1 PHE A 19 -5.919 3.119 -7.869 1.00 1.66 C ATOM 292 CD2 PHE A 19 -3.643 3.971 -7.982 1.00 2.20 C ATOM 293 CE1 PHE A 19 -5.833 3.069 -6.466 1.00 1.60 C ATOM 294 CE2 PHE A 19 -3.547 3.892 -6.582 1.00 2.15 C ATOM 295 CZ PHE A 19 -4.647 3.453 -5.823 1.00 1.30 C ATOM 0 H PHE A 19 -5.236 6.766 -9.718 1.00 0.72 H new ATOM 0 HA PHE A 19 -5.526 4.881 -11.799 1.00 0.81 H new ATOM 0 HB2 PHE A 19 -5.507 2.806 -10.496 1.00 0.91 H new ATOM 0 HB3 PHE A 19 -3.917 3.538 -10.557 1.00 0.91 H new ATOM 0 HD1 PHE A 19 -6.825 2.800 -8.364 1.00 1.66 H new ATOM 0 HD2 PHE A 19 -2.805 4.330 -8.560 1.00 2.20 H new ATOM 0 HE1 PHE A 19 -6.679 2.735 -5.884 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -2.627 4.169 -6.088 1.00 2.15 H new ATOM 0 HZ PHE A 19 -4.578 3.412 -4.746 1.00 1.30 H new ATOM 305 N ALA A 20 -7.835 4.144 -10.685 1.00 0.78 N ATOM 306 CA ALA A 20 -9.167 3.879 -10.151 1.00 0.74 C ATOM 307 C ALA A 20 -9.290 2.389 -9.774 1.00 0.82 C ATOM 308 O ALA A 20 -9.103 1.524 -10.624 1.00 0.89 O ATOM 309 CB ALA A 20 -10.196 4.270 -11.221 1.00 0.98 C ATOM 0 H ALA A 20 -7.588 3.509 -11.444 1.00 0.78 H new ATOM 0 HA ALA A 20 -9.346 4.463 -9.249 1.00 0.74 H new ATOM 0 HB1 ALA A 20 -11.202 4.081 -10.845 1.00 0.98 H new ATOM 0 HB2 ALA A 20 -10.090 5.329 -11.458 1.00 0.98 H new ATOM 0 HB3 ALA A 20 -10.028 3.678 -12.121 1.00 0.98 H new ATOM 315 N LEU A 21 -9.604 2.109 -8.510 1.00 0.62 N ATOM 316 CA LEU A 21 -9.909 0.782 -7.961 1.00 0.58 C ATOM 317 C LEU A 21 -11.390 0.709 -7.567 1.00 0.90 C ATOM 318 O LEU A 21 -12.071 1.736 -7.507 1.00 1.09 O ATOM 319 CB LEU A 21 -9.027 0.512 -6.720 1.00 0.54 C ATOM 320 CG LEU A 21 -8.177 -0.777 -6.726 1.00 0.74 C ATOM 321 CD1 LEU A 21 -9.004 -2.056 -6.922 1.00 1.10 C ATOM 322 CD2 LEU A 21 -7.065 -0.684 -7.771 1.00 1.15 C ATOM 0 H LEU A 21 -9.656 2.840 -7.800 1.00 0.62 H new ATOM 0 HA LEU A 21 -9.702 0.027 -8.720 1.00 0.58 H new ATOM 0 HB2 LEU A 21 -8.354 1.360 -6.593 1.00 0.54 H new ATOM 0 HB3 LEU A 21 -9.675 0.485 -5.844 1.00 0.54 H new ATOM 0 HG LEU A 21 -7.732 -0.854 -5.734 1.00 0.74 H new ATOM 0 HD11 LEU A 21 -8.342 -2.922 -6.916 1.00 1.10 H new ATOM 0 HD12 LEU A 21 -9.729 -2.148 -6.113 1.00 1.10 H new ATOM 0 HD13 LEU A 21 -9.529 -2.007 -7.876 1.00 1.10 H new ATOM 0 HD21 LEU A 21 -6.477 -1.602 -7.760 1.00 1.15 H new ATOM 0 HD22 LEU A 21 -7.505 -0.547 -8.759 1.00 1.15 H new ATOM 0 HD23 LEU A 21 -6.419 0.163 -7.541 1.00 1.15 H new ATOM 334 N GLU A 22 -11.857 -0.478 -7.199 1.00 0.72 N ATOM 335 CA GLU A 22 -13.164 -0.691 -6.596 1.00 0.76 C ATOM 336 C GLU A 22 -12.994 -0.802 -5.072 1.00 0.97 C ATOM 337 O GLU A 22 -11.959 -1.254 -4.575 1.00 1.16 O ATOM 338 CB GLU A 22 -13.763 -1.956 -7.217 1.00 0.90 C ATOM 339 CG GLU A 22 -15.197 -2.275 -6.764 1.00 1.40 C ATOM 340 CD GLU A 22 -15.890 -3.299 -7.671 1.00 2.40 C ATOM 341 OE1 GLU A 22 -15.255 -3.759 -8.649 1.00 2.92 O ATOM 342 OE2 GLU A 22 -17.074 -3.599 -7.413 1.00 3.61 O ATOM 0 H GLU A 22 -11.323 -1.339 -7.315 1.00 0.72 H new ATOM 0 HA GLU A 22 -13.845 0.139 -6.785 1.00 0.76 H new ATOM 0 HB2 GLU A 22 -13.754 -1.852 -8.302 1.00 0.90 H new ATOM 0 HB3 GLU A 22 -13.122 -2.803 -6.973 1.00 0.90 H new ATOM 0 HG2 GLU A 22 -15.175 -2.656 -5.743 1.00 1.40 H new ATOM 0 HG3 GLU A 22 -15.782 -1.355 -6.748 1.00 1.40 H new ATOM 349 N GLY A 23 -14.001 -0.343 -4.328 1.00 0.75 N ATOM 350 CA GLY A 23 -14.066 -0.394 -2.866 1.00 0.72 C ATOM 351 C GLY A 23 -15.475 -0.749 -2.383 1.00 0.82 C ATOM 352 O GLY A 23 -16.400 -0.818 -3.195 1.00 0.99 O ATOM 0 H GLY A 23 -14.826 0.091 -4.743 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.355 -1.132 -2.494 1.00 0.72 H new ATOM 0 HA3 GLY A 23 -13.770 0.570 -2.453 1.00 0.72 H new ATOM 356 N PRO A 24 -15.683 -0.932 -1.063 1.00 0.71 N ATOM 357 CA PRO A 24 -16.931 -1.439 -0.477 1.00 0.88 C ATOM 358 C PRO A 24 -18.127 -0.462 -0.541 1.00 1.27 C ATOM 359 O PRO A 24 -19.125 -0.676 0.136 1.00 1.29 O ATOM 360 CB PRO A 24 -16.554 -1.833 0.960 1.00 0.91 C ATOM 361 CG PRO A 24 -15.431 -0.858 1.305 1.00 0.92 C ATOM 362 CD PRO A 24 -14.676 -0.754 -0.019 1.00 0.76 C ATOM 0 HA PRO A 24 -17.307 -2.283 -1.056 1.00 0.88 H new ATOM 0 HB2 PRO A 24 -17.399 -1.731 1.641 1.00 0.91 H new ATOM 0 HB3 PRO A 24 -16.220 -2.869 1.019 1.00 0.91 H new ATOM 0 HG2 PRO A 24 -15.816 0.108 1.631 1.00 0.92 H new ATOM 0 HG3 PRO A 24 -14.796 -1.235 2.107 1.00 0.92 H new ATOM 0 HD2 PRO A 24 -14.181 0.213 -0.113 1.00 0.76 H new ATOM 0 HD3 PRO A 24 -13.901 -1.517 -0.089 1.00 0.76 H new ATOM 370 N GLN A 25 -18.057 0.598 -1.356 1.00 1.24 N ATOM 371 CA GLN A 25 -19.135 1.571 -1.564 1.00 1.56 C ATOM 372 C GLN A 25 -18.964 2.379 -2.867 1.00 1.62 C ATOM 373 O GLN A 25 -19.404 3.522 -2.937 1.00 1.82 O ATOM 374 CB GLN A 25 -19.357 2.443 -0.303 1.00 1.88 C ATOM 375 CG GLN A 25 -18.127 3.231 0.185 1.00 2.16 C ATOM 376 CD GLN A 25 -18.420 4.027 1.462 1.00 2.39 C ATOM 377 OE1 GLN A 25 -18.250 5.233 1.537 1.00 2.98 O ATOM 378 NE2 GLN A 25 -18.878 3.396 2.527 1.00 2.94 N ATOM 0 H GLN A 25 -17.223 0.808 -1.905 1.00 1.24 H new ATOM 0 HA GLN A 25 -20.060 1.013 -1.710 1.00 1.56 H new ATOM 0 HB2 GLN A 25 -20.161 3.150 -0.509 1.00 1.88 H new ATOM 0 HB3 GLN A 25 -19.698 1.799 0.507 1.00 1.88 H new ATOM 0 HG2 GLN A 25 -17.305 2.540 0.370 1.00 2.16 H new ATOM 0 HG3 GLN A 25 -17.800 3.913 -0.600 1.00 2.16 H new ATOM 0 HE21 GLN A 25 -19.031 2.388 2.496 1.00 2.94 H new ATOM 0 HE22 GLN A 25 -19.079 3.916 3.381 1.00 2.94 H new ATOM 387 N GLY A 26 -18.333 1.804 -3.904 1.00 1.40 N ATOM 388 CA GLY A 26 -18.075 2.477 -5.181 1.00 1.36 C ATOM 389 C GLY A 26 -16.587 2.548 -5.550 1.00 1.27 C ATOM 390 O GLY A 26 -15.745 1.987 -4.848 1.00 1.41 O ATOM 0 H GLY A 26 -17.984 0.846 -3.875 1.00 1.40 H new ATOM 0 HA2 GLY A 26 -18.612 1.954 -5.972 1.00 1.36 H new ATOM 0 HA3 GLY A 26 -18.478 3.489 -5.137 1.00 1.36 H new ATOM 394 N PRO A 27 -16.256 3.193 -6.684 1.00 1.08 N ATOM 395 CA PRO A 27 -14.887 3.336 -7.164 1.00 1.09 C ATOM 396 C PRO A 27 -14.099 4.355 -6.330 1.00 1.13 C ATOM 397 O PRO A 27 -14.596 5.432 -6.011 1.00 1.02 O ATOM 398 CB PRO A 27 -15.011 3.759 -8.630 1.00 1.26 C ATOM 399 CG PRO A 27 -16.344 4.511 -8.666 1.00 1.19 C ATOM 400 CD PRO A 27 -17.194 3.768 -7.634 1.00 1.13 C ATOM 0 HA PRO A 27 -14.327 2.405 -7.070 1.00 1.09 H new ATOM 0 HB2 PRO A 27 -14.181 4.396 -8.937 1.00 1.26 H new ATOM 0 HB3 PRO A 27 -15.016 2.898 -9.298 1.00 1.26 H new ATOM 0 HG2 PRO A 27 -16.220 5.562 -8.404 1.00 1.19 H new ATOM 0 HG3 PRO A 27 -16.797 4.481 -9.657 1.00 1.19 H new ATOM 0 HD2 PRO A 27 -17.886 4.447 -7.137 1.00 1.13 H new ATOM 0 HD3 PRO A 27 -17.794 2.992 -8.109 1.00 1.13 H new ATOM 408 N VAL A 28 -12.844 4.023 -6.020 1.00 0.73 N ATOM 409 CA VAL A 28 -11.933 4.855 -5.212 1.00 0.84 C ATOM 410 C VAL A 28 -10.640 5.034 -6.000 1.00 1.05 C ATOM 411 O VAL A 28 -10.078 4.064 -6.504 1.00 1.14 O ATOM 412 CB VAL A 28 -11.632 4.240 -3.821 1.00 1.04 C ATOM 413 CG1 VAL A 28 -10.723 5.165 -2.988 1.00 1.29 C ATOM 414 CG2 VAL A 28 -12.917 3.969 -3.022 1.00 1.86 C ATOM 0 H VAL A 28 -12.418 3.149 -6.328 1.00 0.73 H new ATOM 0 HA VAL A 28 -12.415 5.814 -5.022 1.00 0.84 H new ATOM 0 HB VAL A 28 -11.124 3.294 -4.009 1.00 1.04 H new ATOM 0 HG11 VAL A 28 -10.529 4.707 -2.018 1.00 1.29 H new ATOM 0 HG12 VAL A 28 -9.780 5.317 -3.513 1.00 1.29 H new ATOM 0 HG13 VAL A 28 -11.216 6.126 -2.844 1.00 1.29 H new ATOM 0 HG21 VAL A 28 -12.660 3.538 -2.054 1.00 1.86 H new ATOM 0 HG22 VAL A 28 -13.456 4.904 -2.871 1.00 1.86 H new ATOM 0 HG23 VAL A 28 -13.548 3.272 -3.573 1.00 1.86 H new ATOM 424 N ARG A 29 -10.181 6.280 -6.128 1.00 0.86 N ATOM 425 CA ARG A 29 -8.996 6.622 -6.918 1.00 0.81 C ATOM 426 C ARG A 29 -7.795 6.936 -6.026 1.00 1.38 C ATOM 427 O ARG A 29 -7.953 7.262 -4.851 1.00 1.79 O ATOM 428 CB ARG A 29 -9.288 7.826 -7.828 1.00 0.94 C ATOM 429 CG ARG A 29 -10.418 7.592 -8.841 1.00 1.11 C ATOM 430 CD ARG A 29 -10.401 8.636 -9.972 1.00 1.35 C ATOM 431 NE ARG A 29 -9.463 8.267 -11.054 1.00 2.10 N ATOM 432 CZ ARG A 29 -8.283 8.808 -11.347 1.00 3.40 C ATOM 433 NH1 ARG A 29 -7.765 9.803 -10.661 1.00 4.11 N ATOM 434 NH2 ARG A 29 -7.583 8.336 -12.358 1.00 4.68 N ATOM 0 H ARG A 29 -10.623 7.085 -5.684 1.00 0.86 H new ATOM 0 HA ARG A 29 -8.751 5.753 -7.529 1.00 0.81 H new ATOM 0 HB2 ARG A 29 -9.545 8.683 -7.206 1.00 0.94 H new ATOM 0 HB3 ARG A 29 -8.379 8.087 -8.369 1.00 0.94 H new ATOM 0 HG2 ARG A 29 -10.322 6.593 -9.267 1.00 1.11 H new ATOM 0 HG3 ARG A 29 -11.379 7.629 -8.328 1.00 1.11 H new ATOM 0 HD2 ARG A 29 -11.405 8.741 -10.383 1.00 1.35 H new ATOM 0 HD3 ARG A 29 -10.120 9.607 -9.564 1.00 1.35 H new ATOM 0 HE ARG A 29 -9.759 7.497 -11.654 1.00 2.10 H new ATOM 0 HH11 ARG A 29 -8.272 10.193 -9.866 1.00 4.11 H new ATOM 0 HH12 ARG A 29 -6.856 10.185 -10.924 1.00 4.11 H new ATOM 0 HH21 ARG A 29 -7.946 7.560 -12.911 1.00 4.68 H new ATOM 0 HH22 ARG A 29 -6.678 8.747 -12.587 1.00 4.68 H new ATOM 448 N LEU A 30 -6.597 6.977 -6.613 1.00 0.70 N ATOM 449 CA LEU A 30 -5.416 7.574 -5.977 1.00 0.73 C ATOM 450 C LEU A 30 -5.643 9.063 -5.668 1.00 1.14 C ATOM 451 O LEU A 30 -5.277 9.545 -4.602 1.00 1.37 O ATOM 452 CB LEU A 30 -4.235 7.340 -6.930 1.00 0.66 C ATOM 453 CG LEU A 30 -2.800 7.631 -6.435 1.00 0.96 C ATOM 454 CD1 LEU A 30 -2.426 9.100 -6.653 1.00 2.51 C ATOM 455 CD2 LEU A 30 -2.550 7.219 -4.977 1.00 1.76 C ATOM 0 H LEU A 30 -6.416 6.598 -7.542 1.00 0.70 H new ATOM 0 HA LEU A 30 -5.209 7.111 -5.012 1.00 0.73 H new ATOM 0 HB2 LEU A 30 -4.269 6.297 -7.245 1.00 0.66 H new ATOM 0 HB3 LEU A 30 -4.405 7.947 -7.819 1.00 0.66 H new ATOM 0 HG LEU A 30 -2.149 7.003 -7.043 1.00 0.96 H new ATOM 0 HD11 LEU A 30 -1.411 9.274 -6.295 1.00 2.51 H new ATOM 0 HD12 LEU A 30 -2.481 9.336 -7.716 1.00 2.51 H new ATOM 0 HD13 LEU A 30 -3.119 9.737 -6.104 1.00 2.51 H new ATOM 0 HD21 LEU A 30 -1.522 7.455 -4.703 1.00 1.76 H new ATOM 0 HD22 LEU A 30 -3.233 7.762 -4.323 1.00 1.76 H new ATOM 0 HD23 LEU A 30 -2.718 6.148 -4.868 1.00 1.76 H new ATOM 467 N SER A 31 -6.344 9.771 -6.557 1.00 1.07 N ATOM 468 CA SER A 31 -6.686 11.194 -6.431 1.00 1.38 C ATOM 469 C SER A 31 -7.538 11.570 -5.209 1.00 1.80 C ATOM 470 O SER A 31 -7.799 12.749 -4.997 1.00 2.17 O ATOM 471 CB SER A 31 -7.389 11.670 -7.716 1.00 1.59 C ATOM 472 OG SER A 31 -8.570 10.920 -8.001 1.00 1.99 O ATOM 0 H SER A 31 -6.703 9.356 -7.417 1.00 1.07 H new ATOM 0 HA SER A 31 -5.734 11.702 -6.278 1.00 1.38 H new ATOM 0 HB2 SER A 31 -7.647 12.724 -7.616 1.00 1.59 H new ATOM 0 HB3 SER A 31 -6.699 11.589 -8.556 1.00 1.59 H new ATOM 0 HG SER A 31 -9.178 10.964 -7.234 1.00 1.99 H new ATOM 478 N GLN A 32 -7.983 10.611 -4.392 1.00 1.59 N ATOM 479 CA GLN A 32 -8.786 10.904 -3.205 1.00 1.76 C ATOM 480 C GLN A 32 -7.929 11.299 -1.988 1.00 1.99 C ATOM 481 O GLN A 32 -8.489 11.630 -0.946 1.00 2.32 O ATOM 482 CB GLN A 32 -9.728 9.716 -2.923 1.00 1.79 C ATOM 483 CG GLN A 32 -10.595 9.290 -4.122 1.00 1.53 C ATOM 484 CD GLN A 32 -11.104 10.457 -4.960 1.00 1.78 C ATOM 485 OE1 GLN A 32 -10.637 10.706 -6.066 1.00 2.64 O ATOM 486 NE2 GLN A 32 -12.037 11.232 -4.451 1.00 2.20 N ATOM 0 H GLN A 32 -7.798 9.618 -4.534 1.00 1.59 H new ATOM 0 HA GLN A 32 -9.396 11.785 -3.404 1.00 1.76 H new ATOM 0 HB2 GLN A 32 -9.130 8.863 -2.602 1.00 1.79 H new ATOM 0 HB3 GLN A 32 -10.383 9.977 -2.092 1.00 1.79 H new ATOM 0 HG2 GLN A 32 -10.014 8.623 -4.760 1.00 1.53 H new ATOM 0 HG3 GLN A 32 -11.448 8.718 -3.756 1.00 1.53 H new ATOM 0 HE21 GLN A 32 -12.426 11.025 -3.531 1.00 2.20 H new ATOM 0 HE22 GLN A 32 -12.372 12.040 -4.976 1.00 2.20 H new ATOM 495 N PHE A 33 -6.587 11.272 -2.099 1.00 1.55 N ATOM 496 CA PHE A 33 -5.661 11.429 -0.969 1.00 1.65 C ATOM 497 C PHE A 33 -4.358 12.194 -1.292 1.00 2.34 C ATOM 498 O PHE A 33 -3.449 12.248 -0.465 1.00 2.85 O ATOM 499 CB PHE A 33 -5.317 10.020 -0.436 1.00 1.72 C ATOM 500 CG PHE A 33 -6.475 9.042 -0.299 1.00 1.56 C ATOM 501 CD1 PHE A 33 -7.430 9.205 0.722 1.00 2.59 C ATOM 502 CD2 PHE A 33 -6.616 7.988 -1.222 1.00 1.98 C ATOM 503 CE1 PHE A 33 -8.514 8.314 0.826 1.00 2.54 C ATOM 504 CE2 PHE A 33 -7.693 7.091 -1.112 1.00 2.01 C ATOM 505 CZ PHE A 33 -8.644 7.257 -0.091 1.00 1.56 C ATOM 0 H PHE A 33 -6.112 11.138 -2.992 1.00 1.55 H new ATOM 0 HA PHE A 33 -6.172 12.043 -0.227 1.00 1.65 H new ATOM 0 HB2 PHE A 33 -4.574 9.577 -1.099 1.00 1.72 H new ATOM 0 HB3 PHE A 33 -4.847 10.131 0.541 1.00 1.72 H new ATOM 0 HD1 PHE A 33 -7.330 10.016 1.428 1.00 2.59 H new ATOM 0 HD2 PHE A 33 -5.895 7.868 -2.017 1.00 1.98 H new ATOM 0 HE1 PHE A 33 -9.246 8.442 1.610 1.00 2.54 H new ATOM 0 HE2 PHE A 33 -7.789 6.274 -1.812 1.00 2.01 H new ATOM 0 HZ PHE A 33 -9.475 6.572 -0.011 1.00 1.56 H new ATOM 515 N GLN A 34 -4.221 12.731 -2.506 1.00 1.53 N ATOM 516 CA GLN A 34 -2.924 13.067 -3.116 1.00 1.64 C ATOM 517 C GLN A 34 -2.364 14.434 -2.707 1.00 1.46 C ATOM 518 O GLN A 34 -1.165 14.656 -2.865 1.00 2.01 O ATOM 519 CB GLN A 34 -3.008 12.939 -4.649 1.00 1.95 C ATOM 520 CG GLN A 34 -3.794 14.064 -5.346 1.00 1.67 C ATOM 521 CD GLN A 34 -3.723 13.938 -6.866 1.00 1.97 C ATOM 522 OE1 GLN A 34 -4.556 13.310 -7.494 1.00 2.54 O ATOM 523 NE2 GLN A 34 -2.721 14.465 -7.525 1.00 2.58 N ATOM 0 H GLN A 34 -5.017 12.950 -3.105 1.00 1.53 H new ATOM 0 HA GLN A 34 -2.211 12.341 -2.724 1.00 1.64 H new ATOM 0 HB2 GLN A 34 -1.996 12.916 -5.054 1.00 1.95 H new ATOM 0 HB3 GLN A 34 -3.472 11.984 -4.895 1.00 1.95 H new ATOM 0 HG2 GLN A 34 -4.835 14.034 -5.026 1.00 1.67 H new ATOM 0 HG3 GLN A 34 -3.395 15.031 -5.041 1.00 1.67 H new ATOM 0 HE21 GLN A 34 -2.007 14.997 -7.028 1.00 2.58 H new ATOM 0 HE22 GLN A 34 -2.655 14.344 -8.536 1.00 2.58 H new ATOM 532 N ASP A 35 -3.201 15.321 -2.160 1.00 1.03 N ATOM 533 CA ASP A 35 -2.870 16.680 -1.708 1.00 1.11 C ATOM 534 C ASP A 35 -1.908 16.706 -0.505 1.00 1.43 C ATOM 535 O ASP A 35 -1.519 17.769 -0.022 1.00 2.05 O ATOM 536 CB ASP A 35 -4.187 17.425 -1.396 1.00 1.38 C ATOM 537 CG ASP A 35 -4.991 16.798 -0.246 1.00 2.44 C ATOM 538 OD1 ASP A 35 -5.285 15.579 -0.317 1.00 3.67 O ATOM 539 OD2 ASP A 35 -5.298 17.490 0.752 1.00 3.31 O ATOM 0 H ASP A 35 -4.185 15.099 -2.011 1.00 1.03 H new ATOM 0 HA ASP A 35 -2.332 17.185 -2.510 1.00 1.11 H new ATOM 0 HB2 ASP A 35 -3.958 18.461 -1.146 1.00 1.38 H new ATOM 0 HB3 ASP A 35 -4.806 17.443 -2.293 1.00 1.38 H new ATOM 544 N LYS A 36 -1.511 15.527 -0.009 1.00 1.48 N ATOM 545 CA LYS A 36 -0.546 15.394 1.087 1.00 2.22 C ATOM 546 C LYS A 36 0.464 14.243 0.927 1.00 2.12 C ATOM 547 O LYS A 36 1.526 14.455 0.336 1.00 2.71 O ATOM 548 CB LYS A 36 -1.129 15.667 2.494 1.00 3.59 C ATOM 549 CG LYS A 36 -2.637 15.872 2.634 1.00 3.05 C ATOM 550 CD LYS A 36 -3.331 14.554 2.302 1.00 1.75 C ATOM 551 CE LYS A 36 -4.680 14.481 3.002 1.00 1.64 C ATOM 552 NZ LYS A 36 -5.716 15.307 2.335 1.00 2.11 N ATOM 0 H LYS A 36 -1.854 14.633 -0.360 1.00 1.48 H new ATOM 0 HA LYS A 36 0.126 16.246 0.984 1.00 2.22 H new ATOM 0 HB2 LYS A 36 -0.847 14.833 3.137 1.00 3.59 H new ATOM 0 HB3 LYS A 36 -0.636 16.555 2.890 1.00 3.59 H new ATOM 0 HG2 LYS A 36 -2.885 16.187 3.647 1.00 3.05 H new ATOM 0 HG3 LYS A 36 -2.977 16.660 1.963 1.00 3.05 H new ATOM 0 HD2 LYS A 36 -3.467 14.467 1.224 1.00 1.75 H new ATOM 0 HD3 LYS A 36 -2.706 13.717 2.613 1.00 1.75 H new ATOM 0 HE2 LYS A 36 -5.013 13.444 3.033 1.00 1.64 H new ATOM 0 HE3 LYS A 36 -4.567 14.811 4.035 1.00 1.64 H new ATOM 0 HZ1 LYS A 36 -6.626 15.182 2.822 1.00 2.11 H new ATOM 0 HZ2 LYS A 36 -5.439 16.309 2.372 1.00 2.11 H new ATOM 0 HZ3 LYS A 36 -5.810 15.011 1.343 1.00 2.11 H new ATOM 566 N VAL A 37 0.201 13.073 1.498 1.00 1.23 N ATOM 567 CA VAL A 37 1.054 11.867 1.474 1.00 1.05 C ATOM 568 C VAL A 37 0.151 10.631 1.342 1.00 1.42 C ATOM 569 O VAL A 37 -0.955 10.608 1.882 1.00 2.04 O ATOM 570 CB VAL A 37 1.937 11.707 2.746 1.00 0.88 C ATOM 571 CG1 VAL A 37 3.140 10.794 2.446 1.00 1.03 C ATOM 572 CG2 VAL A 37 2.469 13.024 3.333 1.00 1.14 C ATOM 0 H VAL A 37 -0.660 12.921 2.023 1.00 1.23 H new ATOM 0 HA VAL A 37 1.732 11.970 0.627 1.00 1.05 H new ATOM 0 HB VAL A 37 1.273 11.272 3.493 1.00 0.88 H new ATOM 0 HG11 VAL A 37 3.750 10.690 3.343 1.00 1.03 H new ATOM 0 HG12 VAL A 37 2.783 9.813 2.134 1.00 1.03 H new ATOM 0 HG13 VAL A 37 3.740 11.233 1.648 1.00 1.03 H new ATOM 0 HG21 VAL A 37 3.072 12.811 4.215 1.00 1.14 H new ATOM 0 HG22 VAL A 37 3.081 13.533 2.589 1.00 1.14 H new ATOM 0 HG23 VAL A 37 1.631 13.663 3.612 1.00 1.14 H new ATOM 582 N VAL A 38 0.610 9.611 0.609 1.00 0.86 N ATOM 583 CA VAL A 38 -0.135 8.355 0.416 1.00 0.86 C ATOM 584 C VAL A 38 0.807 7.146 0.453 1.00 1.04 C ATOM 585 O VAL A 38 1.879 7.180 -0.161 1.00 1.02 O ATOM 586 CB VAL A 38 -0.918 8.344 -0.919 1.00 1.04 C ATOM 587 CG1 VAL A 38 -1.891 7.158 -0.998 1.00 1.13 C ATOM 588 CG2 VAL A 38 -1.720 9.630 -1.163 1.00 1.61 C ATOM 0 H VAL A 38 1.510 9.630 0.130 1.00 0.86 H new ATOM 0 HA VAL A 38 -0.848 8.289 1.237 1.00 0.86 H new ATOM 0 HB VAL A 38 -0.151 8.258 -1.689 1.00 1.04 H new ATOM 0 HG11 VAL A 38 -2.422 7.185 -1.950 1.00 1.13 H new ATOM 0 HG12 VAL A 38 -1.334 6.224 -0.920 1.00 1.13 H new ATOM 0 HG13 VAL A 38 -2.609 7.221 -0.180 1.00 1.13 H new ATOM 0 HG21 VAL A 38 -2.245 9.556 -2.115 1.00 1.61 H new ATOM 0 HG22 VAL A 38 -2.444 9.765 -0.359 1.00 1.61 H new ATOM 0 HG23 VAL A 38 -1.042 10.483 -1.188 1.00 1.61 H new ATOM 598 N LEU A 39 0.366 6.083 1.135 1.00 0.73 N ATOM 599 CA LEU A 39 0.983 4.755 1.159 1.00 0.69 C ATOM 600 C LEU A 39 0.093 3.738 0.432 1.00 1.18 C ATOM 601 O LEU A 39 -1.038 3.484 0.840 1.00 1.28 O ATOM 602 CB LEU A 39 1.170 4.315 2.623 1.00 0.76 C ATOM 603 CG LEU A 39 2.437 4.871 3.299 1.00 0.87 C ATOM 604 CD1 LEU A 39 2.302 4.750 4.822 1.00 1.56 C ATOM 605 CD2 LEU A 39 3.682 4.105 2.825 1.00 1.35 C ATOM 0 H LEU A 39 -0.473 6.130 1.713 1.00 0.73 H new ATOM 0 HA LEU A 39 1.948 4.801 0.654 1.00 0.69 H new ATOM 0 HB2 LEU A 39 0.299 4.629 3.198 1.00 0.76 H new ATOM 0 HB3 LEU A 39 1.201 3.226 2.661 1.00 0.76 H new ATOM 0 HG LEU A 39 2.549 5.920 3.025 1.00 0.87 H new ATOM 0 HD11 LEU A 39 3.199 5.144 5.299 1.00 1.56 H new ATOM 0 HD12 LEU A 39 1.434 5.318 5.157 1.00 1.56 H new ATOM 0 HD13 LEU A 39 2.177 3.702 5.094 1.00 1.56 H new ATOM 0 HD21 LEU A 39 4.567 4.512 3.313 1.00 1.35 H new ATOM 0 HD22 LEU A 39 3.579 3.050 3.080 1.00 1.35 H new ATOM 0 HD23 LEU A 39 3.784 4.209 1.745 1.00 1.35 H new ATOM 617 N LEU A 40 0.637 3.086 -0.596 1.00 0.62 N ATOM 618 CA LEU A 40 0.072 1.853 -1.151 1.00 0.50 C ATOM 619 C LEU A 40 0.884 0.647 -0.690 1.00 1.01 C ATOM 620 O LEU A 40 2.115 0.680 -0.726 1.00 1.22 O ATOM 621 CB LEU A 40 0.030 1.903 -2.689 1.00 0.57 C ATOM 622 CG LEU A 40 -1.382 2.193 -3.225 1.00 0.86 C ATOM 623 CD1 LEU A 40 -1.752 3.673 -3.056 1.00 2.40 C ATOM 624 CD2 LEU A 40 -1.439 1.773 -4.693 1.00 1.99 C ATOM 0 H LEU A 40 1.485 3.398 -1.070 1.00 0.62 H new ATOM 0 HA LEU A 40 -0.951 1.758 -0.786 1.00 0.50 H new ATOM 0 HB2 LEU A 40 0.716 2.672 -3.044 1.00 0.57 H new ATOM 0 HB3 LEU A 40 0.381 0.952 -3.091 1.00 0.57 H new ATOM 0 HG LEU A 40 -2.112 1.621 -2.652 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -2.756 3.844 -3.445 1.00 2.40 H new ATOM 0 HD12 LEU A 40 -1.723 3.937 -1.999 1.00 2.40 H new ATOM 0 HD13 LEU A 40 -1.041 4.291 -3.604 1.00 2.40 H new ATOM 0 HD21 LEU A 40 -2.435 1.972 -5.090 1.00 1.99 H new ATOM 0 HD22 LEU A 40 -0.702 2.339 -5.262 1.00 1.99 H new ATOM 0 HD23 LEU A 40 -1.221 0.708 -4.775 1.00 1.99 H new ATOM 636 N PHE A 41 0.188 -0.432 -0.329 1.00 0.66 N ATOM 637 CA PHE A 41 0.761 -1.754 -0.095 1.00 0.69 C ATOM 638 C PHE A 41 -0.034 -2.799 -0.897 1.00 1.40 C ATOM 639 O PHE A 41 -1.268 -2.857 -0.810 1.00 1.68 O ATOM 640 CB PHE A 41 0.750 -2.032 1.419 1.00 0.68 C ATOM 641 CG PHE A 41 1.339 -3.359 1.872 1.00 0.84 C ATOM 642 CD1 PHE A 41 2.626 -3.757 1.457 1.00 2.06 C ATOM 643 CD2 PHE A 41 0.621 -4.175 2.770 1.00 2.05 C ATOM 644 CE1 PHE A 41 3.181 -4.961 1.926 1.00 2.01 C ATOM 645 CE2 PHE A 41 1.175 -5.381 3.238 1.00 2.13 C ATOM 646 CZ PHE A 41 2.454 -5.774 2.814 1.00 1.10 C ATOM 0 H PHE A 41 -0.822 -0.407 -0.188 1.00 0.66 H new ATOM 0 HA PHE A 41 1.795 -1.806 -0.436 1.00 0.69 H new ATOM 0 HB2 PHE A 41 1.295 -1.230 1.917 1.00 0.68 H new ATOM 0 HB3 PHE A 41 -0.282 -1.980 1.767 1.00 0.68 H new ATOM 0 HD1 PHE A 41 3.188 -3.135 0.776 1.00 2.06 H new ATOM 0 HD2 PHE A 41 -0.361 -3.872 3.101 1.00 2.05 H new ATOM 0 HE1 PHE A 41 4.167 -5.262 1.604 1.00 2.01 H new ATOM 0 HE2 PHE A 41 0.617 -6.003 3.922 1.00 2.13 H new ATOM 0 HZ PHE A 41 2.880 -6.701 3.170 1.00 1.10 H new ATOM 656 N PHE A 42 0.685 -3.605 -1.684 1.00 0.75 N ATOM 657 CA PHE A 42 0.110 -4.645 -2.535 1.00 0.78 C ATOM 658 C PHE A 42 0.215 -5.998 -1.829 1.00 1.84 C ATOM 659 O PHE A 42 1.312 -6.519 -1.600 1.00 2.24 O ATOM 660 CB PHE A 42 0.797 -4.660 -3.903 1.00 0.85 C ATOM 661 CG PHE A 42 0.360 -3.524 -4.808 1.00 0.85 C ATOM 662 CD1 PHE A 42 0.947 -2.254 -4.678 1.00 2.27 C ATOM 663 CD2 PHE A 42 -0.624 -3.738 -5.791 1.00 1.60 C ATOM 664 CE1 PHE A 42 0.601 -1.220 -5.565 1.00 2.27 C ATOM 665 CE2 PHE A 42 -0.990 -2.698 -6.664 1.00 1.45 C ATOM 666 CZ PHE A 42 -0.370 -1.441 -6.558 1.00 1.00 C ATOM 0 H PHE A 42 1.702 -3.550 -1.747 1.00 0.75 H new ATOM 0 HA PHE A 42 -0.945 -4.433 -2.709 1.00 0.78 H new ATOM 0 HB2 PHE A 42 1.876 -4.606 -3.760 1.00 0.85 H new ATOM 0 HB3 PHE A 42 0.587 -5.609 -4.396 1.00 0.85 H new ATOM 0 HD1 PHE A 42 1.667 -2.072 -3.894 1.00 2.27 H new ATOM 0 HD2 PHE A 42 -1.100 -4.704 -5.875 1.00 1.60 H new ATOM 0 HE1 PHE A 42 1.081 -0.256 -5.484 1.00 2.27 H new ATOM 0 HE2 PHE A 42 -1.747 -2.865 -7.416 1.00 1.45 H new ATOM 0 HZ PHE A 42 -0.639 -0.646 -7.238 1.00 1.00 H new ATOM 676 N GLY A 43 -0.952 -6.524 -1.448 1.00 0.79 N ATOM 677 CA GLY A 43 -1.132 -7.738 -0.660 1.00 0.87 C ATOM 678 C GLY A 43 -2.350 -8.564 -1.078 1.00 0.91 C ATOM 679 O GLY A 43 -3.100 -8.212 -1.982 1.00 0.97 O ATOM 0 H GLY A 43 -1.841 -6.089 -1.696 1.00 0.79 H new ATOM 0 HA2 GLY A 43 -0.238 -8.355 -0.748 1.00 0.87 H new ATOM 0 HA3 GLY A 43 -1.230 -7.468 0.391 1.00 0.87 H new ATOM 683 N PHE A 44 -2.556 -9.653 -0.344 1.00 1.00 N ATOM 684 CA PHE A 44 -3.650 -10.616 -0.487 1.00 0.95 C ATOM 685 C PHE A 44 -3.880 -11.219 0.904 1.00 1.74 C ATOM 686 O PHE A 44 -2.905 -11.655 1.527 1.00 2.51 O ATOM 687 CB PHE A 44 -3.197 -11.661 -1.530 1.00 1.21 C ATOM 688 CG PHE A 44 -4.124 -12.793 -1.956 1.00 1.34 C ATOM 689 CD1 PHE A 44 -5.430 -12.954 -1.451 1.00 2.65 C ATOM 690 CD2 PHE A 44 -3.651 -13.701 -2.927 1.00 2.70 C ATOM 691 CE1 PHE A 44 -6.227 -14.035 -1.865 1.00 3.60 C ATOM 692 CE2 PHE A 44 -4.461 -14.762 -3.367 1.00 3.40 C ATOM 693 CZ PHE A 44 -5.744 -14.943 -2.821 1.00 3.60 C ATOM 0 H PHE A 44 -1.924 -9.905 0.416 1.00 1.00 H new ATOM 0 HA PHE A 44 -4.588 -10.182 -0.834 1.00 0.95 H new ATOM 0 HB2 PHE A 44 -2.924 -11.114 -2.433 1.00 1.21 H new ATOM 0 HB3 PHE A 44 -2.286 -12.121 -1.147 1.00 1.21 H new ATOM 0 HD1 PHE A 44 -5.821 -12.241 -0.740 1.00 2.65 H new ATOM 0 HD2 PHE A 44 -2.659 -13.580 -3.335 1.00 2.70 H new ATOM 0 HE1 PHE A 44 -7.214 -14.168 -1.447 1.00 3.60 H new ATOM 0 HE2 PHE A 44 -4.097 -15.439 -4.126 1.00 3.40 H new ATOM 0 HZ PHE A 44 -6.355 -15.776 -3.135 1.00 3.60 H new ATOM 703 N THR A 45 -5.118 -11.234 1.424 1.00 0.87 N ATOM 704 CA THR A 45 -5.462 -11.744 2.773 1.00 1.12 C ATOM 705 C THR A 45 -4.777 -13.063 3.115 1.00 1.67 C ATOM 706 O THR A 45 -4.179 -13.155 4.183 1.00 2.29 O ATOM 707 CB THR A 45 -6.978 -11.864 2.984 1.00 1.37 C ATOM 708 OG1 THR A 45 -7.589 -12.344 1.819 1.00 1.92 O ATOM 709 CG2 THR A 45 -7.620 -10.528 3.345 1.00 1.21 C ATOM 0 H THR A 45 -5.929 -10.886 0.912 1.00 0.87 H new ATOM 0 HA THR A 45 -5.077 -10.992 3.462 1.00 1.12 H new ATOM 0 HB THR A 45 -7.125 -12.556 3.813 1.00 1.37 H new ATOM 0 HG1 THR A 45 -8.562 -12.268 1.905 1.00 1.92 H new ATOM 0 HG21 THR A 45 -8.692 -10.665 3.484 1.00 1.21 H new ATOM 0 HG22 THR A 45 -7.180 -10.150 4.268 1.00 1.21 H new ATOM 0 HG23 THR A 45 -7.447 -9.812 2.541 1.00 1.21 H new ATOM 717 N ARG A 46 -4.758 -14.039 2.197 1.00 1.75 N ATOM 718 CA ARG A 46 -4.143 -15.366 2.422 1.00 2.07 C ATOM 719 C ARG A 46 -2.617 -15.401 2.609 1.00 2.05 C ATOM 720 O ARG A 46 -2.084 -16.461 2.945 1.00 2.66 O ATOM 721 CB ARG A 46 -4.587 -16.369 1.346 1.00 2.48 C ATOM 722 CG ARG A 46 -4.025 -16.104 -0.055 1.00 4.25 C ATOM 723 CD ARG A 46 -2.622 -16.658 -0.371 1.00 5.41 C ATOM 724 NE ARG A 46 -2.416 -16.684 -1.828 1.00 7.05 N ATOM 725 CZ ARG A 46 -1.333 -17.046 -2.514 1.00 8.39 C ATOM 726 NH1 ARG A 46 -0.179 -17.357 -1.969 1.00 8.53 N ATOM 727 NH2 ARG A 46 -1.400 -17.084 -3.818 1.00 9.87 N ATOM 0 H ARG A 46 -5.170 -13.935 1.270 1.00 1.75 H new ATOM 0 HA ARG A 46 -4.527 -15.662 3.398 1.00 2.07 H new ATOM 0 HB2 ARG A 46 -4.289 -17.370 1.658 1.00 2.48 H new ATOM 0 HB3 ARG A 46 -5.676 -16.363 1.292 1.00 2.48 H new ATOM 0 HG2 ARG A 46 -4.723 -16.519 -0.782 1.00 4.25 H new ATOM 0 HG3 ARG A 46 -4.005 -15.026 -0.212 1.00 4.25 H new ATOM 0 HD2 ARG A 46 -1.861 -16.038 0.103 1.00 5.41 H new ATOM 0 HD3 ARG A 46 -2.516 -17.662 0.039 1.00 5.41 H new ATOM 0 HE ARG A 46 -3.212 -16.383 -2.390 1.00 7.05 H new ATOM 0 HH11 ARG A 46 -0.070 -17.330 -0.955 1.00 8.53 H new ATOM 0 HH12 ARG A 46 0.608 -17.626 -2.560 1.00 8.53 H new ATOM 0 HH21 ARG A 46 -2.270 -16.839 -4.291 1.00 9.87 H new ATOM 0 HH22 ARG A 46 -0.583 -17.358 -4.363 1.00 9.87 H new ATOM 741 N CYS A 47 -1.870 -14.334 2.314 1.00 1.80 N ATOM 742 CA CYS A 47 -0.409 -14.317 2.467 1.00 1.96 C ATOM 743 C CYS A 47 -0.084 -14.139 3.969 1.00 1.66 C ATOM 744 O CYS A 47 -0.274 -13.041 4.488 1.00 2.79 O ATOM 745 CB CYS A 47 0.172 -13.230 1.550 1.00 3.10 C ATOM 746 SG CYS A 47 -0.038 -13.738 -0.185 1.00 4.73 S ATOM 0 H CYS A 47 -2.258 -13.458 1.963 1.00 1.80 H new ATOM 0 HA CYS A 47 0.059 -15.251 2.156 1.00 1.96 H new ATOM 0 HB2 CYS A 47 -0.332 -12.280 1.727 1.00 3.10 H new ATOM 0 HB3 CYS A 47 1.228 -13.077 1.771 1.00 3.10 H new ATOM 0 HG CYS A 47 0.170 -12.718 -0.964 1.00 4.73 H new ATOM 752 N PRO A 48 0.320 -15.205 4.683 1.00 1.37 N ATOM 753 CA PRO A 48 -0.220 -15.473 6.016 1.00 2.21 C ATOM 754 C PRO A 48 0.386 -14.651 7.153 1.00 2.11 C ATOM 755 O PRO A 48 -0.195 -14.646 8.232 1.00 2.49 O ATOM 756 CB PRO A 48 0.011 -16.972 6.245 1.00 3.32 C ATOM 757 CG PRO A 48 1.242 -17.274 5.396 1.00 3.32 C ATOM 758 CD PRO A 48 1.001 -16.391 4.178 1.00 2.31 C ATOM 0 HA PRO A 48 -1.270 -15.180 6.036 1.00 2.21 H new ATOM 0 HB2 PRO A 48 0.184 -17.196 7.298 1.00 3.32 H new ATOM 0 HB3 PRO A 48 -0.849 -17.564 5.931 1.00 3.32 H new ATOM 0 HG2 PRO A 48 2.168 -17.017 5.911 1.00 3.32 H new ATOM 0 HG3 PRO A 48 1.307 -18.329 5.130 1.00 3.32 H new ATOM 0 HD2 PRO A 48 1.941 -16.127 3.693 1.00 2.31 H new ATOM 0 HD3 PRO A 48 0.392 -16.906 3.435 1.00 2.31 H new ATOM 766 N ASP A 49 1.523 -13.979 6.950 1.00 1.38 N ATOM 767 CA ASP A 49 2.289 -13.345 8.029 1.00 1.16 C ATOM 768 C ASP A 49 2.679 -11.958 7.521 1.00 1.05 C ATOM 769 O ASP A 49 2.074 -10.955 7.862 1.00 1.35 O ATOM 770 CB ASP A 49 3.477 -14.280 8.345 1.00 1.33 C ATOM 771 CG ASP A 49 4.355 -13.831 9.517 1.00 2.23 C ATOM 772 OD1 ASP A 49 4.623 -12.612 9.606 1.00 3.14 O ATOM 773 OD2 ASP A 49 4.798 -14.728 10.267 1.00 3.10 O ATOM 0 H ASP A 49 1.941 -13.858 6.027 1.00 1.38 H new ATOM 0 HA ASP A 49 1.745 -13.205 8.963 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.090 -15.276 8.560 1.00 1.33 H new ATOM 0 HB3 ASP A 49 4.100 -14.366 7.455 1.00 1.33 H new ATOM 778 N VAL A 50 3.579 -11.936 6.549 1.00 0.90 N ATOM 779 CA VAL A 50 3.961 -10.790 5.720 1.00 0.86 C ATOM 780 C VAL A 50 2.848 -9.803 5.284 1.00 1.06 C ATOM 781 O VAL A 50 3.141 -8.616 5.174 1.00 1.33 O ATOM 782 CB VAL A 50 4.732 -11.342 4.503 1.00 1.10 C ATOM 783 CG1 VAL A 50 3.835 -12.130 3.523 1.00 1.72 C ATOM 784 CG2 VAL A 50 5.477 -10.239 3.757 1.00 1.54 C ATOM 0 H VAL A 50 4.101 -12.775 6.297 1.00 0.90 H new ATOM 0 HA VAL A 50 4.569 -10.151 6.360 1.00 0.86 H new ATOM 0 HB VAL A 50 5.459 -12.043 4.914 1.00 1.10 H new ATOM 0 HG11 VAL A 50 4.437 -12.491 2.689 1.00 1.72 H new ATOM 0 HG12 VAL A 50 3.387 -12.978 4.041 1.00 1.72 H new ATOM 0 HG13 VAL A 50 3.047 -11.478 3.146 1.00 1.72 H new ATOM 0 HG21 VAL A 50 6.007 -10.669 2.907 1.00 1.54 H new ATOM 0 HG22 VAL A 50 4.764 -9.495 3.402 1.00 1.54 H new ATOM 0 HG23 VAL A 50 6.192 -9.765 4.429 1.00 1.54 H new ATOM 794 N CYS A 51 1.584 -10.207 5.049 1.00 1.07 N ATOM 795 CA CYS A 51 0.502 -9.212 4.898 1.00 1.25 C ATOM 796 C CYS A 51 0.110 -8.544 6.232 1.00 1.39 C ATOM 797 O CYS A 51 0.216 -7.316 6.304 1.00 1.57 O ATOM 798 CB CYS A 51 -0.723 -9.786 4.169 1.00 1.46 C ATOM 799 SG CYS A 51 -0.454 -9.746 2.382 1.00 2.07 S ATOM 0 H CYS A 51 1.292 -11.180 4.962 1.00 1.07 H new ATOM 0 HA CYS A 51 0.911 -8.424 4.266 1.00 1.25 H new ATOM 0 HB2 CYS A 51 -0.903 -10.810 4.495 1.00 1.46 H new ATOM 0 HB3 CYS A 51 -1.612 -9.209 4.424 1.00 1.46 H new ATOM 0 HG CYS A 51 0.606 -10.438 2.087 1.00 2.07 H new ATOM 805 N PRO A 52 -0.375 -9.283 7.253 1.00 1.26 N ATOM 806 CA PRO A 52 -0.807 -8.680 8.507 1.00 1.45 C ATOM 807 C PRO A 52 0.338 -8.057 9.314 1.00 1.45 C ATOM 808 O PRO A 52 0.116 -6.994 9.887 1.00 1.44 O ATOM 809 CB PRO A 52 -1.549 -9.775 9.281 1.00 1.71 C ATOM 810 CG PRO A 52 -1.056 -11.081 8.665 1.00 1.54 C ATOM 811 CD PRO A 52 -0.794 -10.682 7.215 1.00 1.36 C ATOM 0 HA PRO A 52 -1.463 -7.833 8.307 1.00 1.45 H new ATOM 0 HB2 PRO A 52 -1.324 -9.729 10.347 1.00 1.71 H new ATOM 0 HB3 PRO A 52 -2.629 -9.671 9.178 1.00 1.71 H new ATOM 0 HG2 PRO A 52 -0.153 -11.446 9.155 1.00 1.54 H new ATOM 0 HG3 PRO A 52 -1.802 -11.872 8.740 1.00 1.54 H new ATOM 0 HD2 PRO A 52 -0.021 -11.309 6.771 1.00 1.36 H new ATOM 0 HD3 PRO A 52 -1.691 -10.805 6.608 1.00 1.36 H new ATOM 819 N THR A 53 1.541 -8.648 9.347 1.00 1.07 N ATOM 820 CA THR A 53 2.678 -8.136 10.128 1.00 1.06 C ATOM 821 C THR A 53 3.167 -6.804 9.560 1.00 1.11 C ATOM 822 O THR A 53 3.232 -5.825 10.305 1.00 1.10 O ATOM 823 CB THR A 53 3.803 -9.181 10.224 1.00 1.18 C ATOM 824 OG1 THR A 53 3.236 -10.441 10.520 1.00 2.29 O ATOM 825 CG2 THR A 53 4.747 -8.867 11.382 1.00 1.70 C ATOM 0 H THR A 53 1.755 -9.500 8.829 1.00 1.07 H new ATOM 0 HA THR A 53 2.340 -7.947 11.147 1.00 1.06 H new ATOM 0 HB THR A 53 4.341 -9.174 9.276 1.00 1.18 H new ATOM 0 HG1 THR A 53 3.803 -11.150 10.151 1.00 2.29 H new ATOM 0 HG21 THR A 53 5.532 -9.622 11.426 1.00 1.70 H new ATOM 0 HG22 THR A 53 5.195 -7.885 11.230 1.00 1.70 H new ATOM 0 HG23 THR A 53 4.188 -8.870 12.318 1.00 1.70 H new ATOM 833 N THR A 54 3.346 -6.699 8.235 1.00 0.75 N ATOM 834 CA THR A 54 3.740 -5.440 7.581 1.00 0.66 C ATOM 835 C THR A 54 2.666 -4.366 7.719 1.00 0.83 C ATOM 836 O THR A 54 3.009 -3.209 7.948 1.00 0.81 O ATOM 837 CB THR A 54 4.115 -5.675 6.118 1.00 0.74 C ATOM 838 OG1 THR A 54 5.195 -6.567 6.027 1.00 1.17 O ATOM 839 CG2 THR A 54 4.550 -4.386 5.414 1.00 1.00 C ATOM 0 H THR A 54 3.223 -7.479 7.589 1.00 0.75 H new ATOM 0 HA THR A 54 4.626 -5.069 8.096 1.00 0.66 H new ATOM 0 HB THR A 54 3.221 -6.073 5.639 1.00 0.74 H new ATOM 0 HG1 THR A 54 5.269 -7.077 6.860 1.00 1.17 H new ATOM 0 HG21 THR A 54 4.806 -4.606 4.378 1.00 1.00 H new ATOM 0 HG22 THR A 54 3.734 -3.664 5.441 1.00 1.00 H new ATOM 0 HG23 THR A 54 5.420 -3.970 5.922 1.00 1.00 H new ATOM 847 N LEU A 55 1.371 -4.710 7.653 1.00 0.70 N ATOM 848 CA LEU A 55 0.301 -3.748 7.968 1.00 0.76 C ATOM 849 C LEU A 55 0.339 -3.306 9.440 1.00 1.14 C ATOM 850 O LEU A 55 0.006 -2.156 9.730 1.00 1.35 O ATOM 851 CB LEU A 55 -1.082 -4.343 7.643 1.00 0.85 C ATOM 852 CG LEU A 55 -1.498 -4.328 6.159 1.00 1.08 C ATOM 853 CD1 LEU A 55 -2.808 -5.118 5.992 1.00 1.52 C ATOM 854 CD2 LEU A 55 -1.726 -2.898 5.638 1.00 1.46 C ATOM 0 H LEU A 55 1.040 -5.637 7.387 1.00 0.70 H new ATOM 0 HA LEU A 55 0.472 -2.870 7.346 1.00 0.76 H new ATOM 0 HB2 LEU A 55 -1.102 -5.375 7.994 1.00 0.85 H new ATOM 0 HB3 LEU A 55 -1.833 -3.797 8.215 1.00 0.85 H new ATOM 0 HG LEU A 55 -0.688 -4.779 5.586 1.00 1.08 H new ATOM 0 HD11 LEU A 55 -3.106 -5.110 4.944 1.00 1.52 H new ATOM 0 HD12 LEU A 55 -2.657 -6.147 6.319 1.00 1.52 H new ATOM 0 HD13 LEU A 55 -3.590 -4.657 6.595 1.00 1.52 H new ATOM 0 HD21 LEU A 55 -2.017 -2.935 4.588 1.00 1.46 H new ATOM 0 HD22 LEU A 55 -2.517 -2.421 6.217 1.00 1.46 H new ATOM 0 HD23 LEU A 55 -0.805 -2.323 5.739 1.00 1.46 H new ATOM 866 N LEU A 56 0.772 -4.178 10.357 1.00 0.78 N ATOM 867 CA LEU A 56 1.013 -3.817 11.755 1.00 0.81 C ATOM 868 C LEU A 56 2.165 -2.807 11.832 1.00 1.14 C ATOM 869 O LEU A 56 1.982 -1.756 12.434 1.00 1.32 O ATOM 870 CB LEU A 56 1.275 -5.089 12.595 1.00 0.89 C ATOM 871 CG LEU A 56 0.636 -5.079 13.996 1.00 1.43 C ATOM 872 CD1 LEU A 56 0.940 -6.412 14.695 1.00 1.67 C ATOM 873 CD2 LEU A 56 1.114 -3.914 14.872 1.00 2.06 C ATOM 0 H LEU A 56 0.965 -5.157 10.148 1.00 0.78 H new ATOM 0 HA LEU A 56 0.130 -3.337 12.178 1.00 0.81 H new ATOM 0 HB2 LEU A 56 0.901 -5.953 12.046 1.00 0.89 H new ATOM 0 HB3 LEU A 56 2.352 -5.221 12.703 1.00 0.89 H new ATOM 0 HG LEU A 56 -0.437 -4.945 13.861 1.00 1.43 H new ATOM 0 HD11 LEU A 56 0.491 -6.413 15.688 1.00 1.67 H new ATOM 0 HD12 LEU A 56 0.526 -7.233 14.109 1.00 1.67 H new ATOM 0 HD13 LEU A 56 2.019 -6.538 14.785 1.00 1.67 H new ATOM 0 HD21 LEU A 56 0.625 -3.966 15.845 1.00 2.06 H new ATOM 0 HD22 LEU A 56 2.194 -3.978 15.004 1.00 2.06 H new ATOM 0 HD23 LEU A 56 0.863 -2.969 14.390 1.00 2.06 H new ATOM 885 N ALA A 57 3.311 -3.060 11.194 1.00 0.70 N ATOM 886 CA ALA A 57 4.448 -2.129 11.175 1.00 0.71 C ATOM 887 C ALA A 57 4.095 -0.766 10.545 1.00 0.83 C ATOM 888 O ALA A 57 4.349 0.285 11.142 1.00 1.05 O ATOM 889 CB ALA A 57 5.614 -2.814 10.455 1.00 0.73 C ATOM 0 H ALA A 57 3.479 -3.920 10.673 1.00 0.70 H new ATOM 0 HA ALA A 57 4.734 -1.896 12.201 1.00 0.71 H new ATOM 0 HB1 ALA A 57 6.471 -2.141 10.428 1.00 0.73 H new ATOM 0 HB2 ALA A 57 5.885 -3.726 10.987 1.00 0.73 H new ATOM 0 HB3 ALA A 57 5.317 -3.063 9.436 1.00 0.73 H new ATOM 895 N LEU A 58 3.408 -0.776 9.395 1.00 0.67 N ATOM 896 CA LEU A 58 2.867 0.421 8.738 1.00 0.70 C ATOM 897 C LEU A 58 1.963 1.227 9.678 1.00 1.11 C ATOM 898 O LEU A 58 2.146 2.437 9.824 1.00 1.28 O ATOM 899 CB LEU A 58 2.100 0.004 7.461 1.00 0.74 C ATOM 900 CG LEU A 58 2.993 -0.459 6.289 1.00 1.01 C ATOM 901 CD1 LEU A 58 2.141 -1.137 5.204 1.00 1.27 C ATOM 902 CD2 LEU A 58 3.742 0.719 5.659 1.00 1.34 C ATOM 0 H LEU A 58 3.208 -1.636 8.884 1.00 0.67 H new ATOM 0 HA LEU A 58 3.699 1.070 8.465 1.00 0.70 H new ATOM 0 HB2 LEU A 58 1.412 -0.802 7.715 1.00 0.74 H new ATOM 0 HB3 LEU A 58 1.495 0.847 7.127 1.00 0.74 H new ATOM 0 HG LEU A 58 3.718 -1.166 6.693 1.00 1.01 H new ATOM 0 HD11 LEU A 58 2.784 -1.458 4.384 1.00 1.27 H new ATOM 0 HD12 LEU A 58 1.634 -2.004 5.628 1.00 1.27 H new ATOM 0 HD13 LEU A 58 1.400 -0.431 4.829 1.00 1.27 H new ATOM 0 HD21 LEU A 58 4.361 0.359 4.837 1.00 1.34 H new ATOM 0 HD22 LEU A 58 3.024 1.446 5.280 1.00 1.34 H new ATOM 0 HD23 LEU A 58 4.375 1.191 6.410 1.00 1.34 H new ATOM 914 N LYS A 59 1.014 0.583 10.370 1.00 0.71 N ATOM 915 CA LYS A 59 0.153 1.283 11.328 1.00 0.75 C ATOM 916 C LYS A 59 0.898 1.747 12.596 1.00 0.89 C ATOM 917 O LYS A 59 0.557 2.789 13.154 1.00 0.94 O ATOM 918 CB LYS A 59 -1.111 0.446 11.603 1.00 0.92 C ATOM 919 CG LYS A 59 -1.061 -0.488 12.830 1.00 0.93 C ATOM 920 CD LYS A 59 -1.957 0.062 13.940 1.00 1.43 C ATOM 921 CE LYS A 59 -2.015 -0.873 15.147 1.00 0.98 C ATOM 922 NZ LYS A 59 -3.055 -0.422 16.099 1.00 1.59 N ATOM 0 H LYS A 59 0.825 -0.416 10.284 1.00 0.71 H new ATOM 0 HA LYS A 59 -0.172 2.220 10.876 1.00 0.75 H new ATOM 0 HB2 LYS A 59 -1.952 1.128 11.727 1.00 0.92 H new ATOM 0 HB3 LYS A 59 -1.319 -0.160 10.721 1.00 0.92 H new ATOM 0 HG2 LYS A 59 -1.388 -1.489 12.549 1.00 0.93 H new ATOM 0 HG3 LYS A 59 -0.036 -0.577 13.189 1.00 0.93 H new ATOM 0 HD2 LYS A 59 -1.586 1.037 14.255 1.00 1.43 H new ATOM 0 HD3 LYS A 59 -2.964 0.214 13.551 1.00 1.43 H new ATOM 0 HE2 LYS A 59 -2.230 -1.889 14.818 1.00 0.98 H new ATOM 0 HE3 LYS A 59 -1.045 -0.898 15.643 1.00 0.98 H new ATOM 0 HZ1 LYS A 59 -3.026 -1.016 16.952 1.00 1.59 H new ATOM 0 HZ2 LYS A 59 -2.880 0.569 16.361 1.00 1.59 H new ATOM 0 HZ3 LYS A 59 -3.991 -0.502 15.654 1.00 1.59 H new ATOM 936 N ARG A 60 1.945 1.034 13.029 1.00 0.76 N ATOM 937 CA ARG A 60 2.788 1.438 14.162 1.00 0.82 C ATOM 938 C ARG A 60 3.557 2.729 13.856 1.00 1.18 C ATOM 939 O ARG A 60 3.741 3.546 14.754 1.00 1.18 O ATOM 940 CB ARG A 60 3.761 0.309 14.539 1.00 0.87 C ATOM 941 CG ARG A 60 3.096 -0.936 15.156 1.00 1.28 C ATOM 942 CD ARG A 60 3.163 -0.957 16.682 1.00 1.70 C ATOM 943 NE ARG A 60 2.306 0.083 17.264 1.00 2.64 N ATOM 944 CZ ARG A 60 2.399 0.646 18.455 1.00 3.54 C ATOM 945 NH1 ARG A 60 3.334 0.327 19.326 1.00 3.43 N ATOM 946 NH2 ARG A 60 1.502 1.552 18.757 1.00 5.02 N ATOM 0 H ARG A 60 2.233 0.154 12.600 1.00 0.76 H new ATOM 0 HA ARG A 60 2.133 1.634 15.011 1.00 0.82 H new ATOM 0 HB2 ARG A 60 4.308 0.007 13.646 1.00 0.87 H new ATOM 0 HB3 ARG A 60 4.494 0.700 15.245 1.00 0.87 H new ATOM 0 HG2 ARG A 60 2.053 -0.976 14.844 1.00 1.28 H new ATOM 0 HG3 ARG A 60 3.580 -1.831 14.765 1.00 1.28 H new ATOM 0 HD2 ARG A 60 2.853 -1.935 17.049 1.00 1.70 H new ATOM 0 HD3 ARG A 60 4.193 -0.807 17.006 1.00 1.70 H new ATOM 0 HE ARG A 60 1.542 0.412 16.674 1.00 2.64 H new ATOM 0 HH11 ARG A 60 4.028 -0.383 19.092 1.00 3.43 H new ATOM 0 HH12 ARG A 60 3.364 0.790 20.234 1.00 3.43 H new ATOM 0 HH21 ARG A 60 0.774 1.794 18.084 1.00 5.02 H new ATOM 0 HH22 ARG A 60 1.531 2.016 19.665 1.00 5.02 H new ATOM 960 N ALA A 61 3.957 2.943 12.598 1.00 0.76 N ATOM 961 CA ALA A 61 4.552 4.201 12.147 1.00 0.77 C ATOM 962 C ALA A 61 3.524 5.349 12.143 1.00 0.90 C ATOM 963 O ALA A 61 3.819 6.432 12.640 1.00 0.98 O ATOM 964 CB ALA A 61 5.199 3.973 10.777 1.00 0.82 C ATOM 0 H ALA A 61 3.876 2.242 11.861 1.00 0.76 H new ATOM 0 HA ALA A 61 5.327 4.515 12.847 1.00 0.77 H new ATOM 0 HB1 ALA A 61 5.647 4.903 10.427 1.00 0.82 H new ATOM 0 HB2 ALA A 61 5.970 3.208 10.862 1.00 0.82 H new ATOM 0 HB3 ALA A 61 4.440 3.646 10.066 1.00 0.82 H new ATOM 970 N TYR A 62 2.297 5.091 11.674 1.00 0.78 N ATOM 971 CA TYR A 62 1.161 6.024 11.766 1.00 0.90 C ATOM 972 C TYR A 62 0.857 6.426 13.229 1.00 1.17 C ATOM 973 O TYR A 62 0.694 7.610 13.520 1.00 1.33 O ATOM 974 CB TYR A 62 -0.048 5.376 11.058 1.00 0.99 C ATOM 975 CG TYR A 62 -1.344 6.173 10.995 1.00 1.54 C ATOM 976 CD1 TYR A 62 -2.097 6.401 12.164 1.00 2.40 C ATOM 977 CD2 TYR A 62 -1.854 6.599 9.750 1.00 2.25 C ATOM 978 CE1 TYR A 62 -3.326 7.079 12.100 1.00 2.95 C ATOM 979 CE2 TYR A 62 -3.103 7.249 9.674 1.00 2.75 C ATOM 980 CZ TYR A 62 -3.841 7.494 10.853 1.00 2.79 C ATOM 981 OH TYR A 62 -5.027 8.156 10.807 1.00 3.45 O ATOM 0 H TYR A 62 2.059 4.214 11.211 1.00 0.78 H new ATOM 0 HA TYR A 62 1.407 6.960 11.265 1.00 0.90 H new ATOM 0 HB2 TYR A 62 0.249 5.139 10.037 1.00 0.99 H new ATOM 0 HB3 TYR A 62 -0.260 4.430 11.556 1.00 0.99 H new ATOM 0 HD1 TYR A 62 -1.727 6.052 13.117 1.00 2.40 H new ATOM 0 HD2 TYR A 62 -1.284 6.426 8.849 1.00 2.25 H new ATOM 0 HE1 TYR A 62 -3.877 7.283 13.006 1.00 2.95 H new ATOM 0 HE2 TYR A 62 -3.494 7.559 8.716 1.00 2.75 H new ATOM 0 HH TYR A 62 -5.047 8.840 11.508 1.00 3.45 H new ATOM 991 N GLU A 63 0.829 5.453 14.151 1.00 0.89 N ATOM 992 CA GLU A 63 0.627 5.645 15.599 1.00 1.06 C ATOM 993 C GLU A 63 1.767 6.438 16.267 1.00 1.22 C ATOM 994 O GLU A 63 1.603 6.947 17.372 1.00 1.49 O ATOM 995 CB GLU A 63 0.476 4.276 16.295 1.00 1.22 C ATOM 996 CG GLU A 63 -0.885 3.607 16.038 1.00 1.38 C ATOM 997 CD GLU A 63 -0.943 2.186 16.601 1.00 1.97 C ATOM 998 OE1 GLU A 63 0.016 1.402 16.406 1.00 2.78 O ATOM 999 OE2 GLU A 63 -1.962 1.798 17.208 1.00 2.60 O ATOM 0 H GLU A 63 0.951 4.472 13.901 1.00 0.89 H new ATOM 0 HA GLU A 63 -0.284 6.233 15.713 1.00 1.06 H new ATOM 0 HB2 GLU A 63 1.269 3.612 15.951 1.00 1.22 H new ATOM 0 HB3 GLU A 63 0.612 4.406 17.369 1.00 1.22 H new ATOM 0 HG2 GLU A 63 -1.675 4.208 16.489 1.00 1.38 H new ATOM 0 HG3 GLU A 63 -1.078 3.580 14.966 1.00 1.38 H new ATOM 1006 N LYS A 64 2.927 6.550 15.611 1.00 0.89 N ATOM 1007 CA LYS A 64 4.069 7.351 16.063 1.00 0.92 C ATOM 1008 C LYS A 64 4.022 8.825 15.606 1.00 1.09 C ATOM 1009 O LYS A 64 4.850 9.624 16.051 1.00 1.25 O ATOM 1010 CB LYS A 64 5.358 6.650 15.576 1.00 0.96 C ATOM 1011 CG LYS A 64 6.215 6.083 16.717 1.00 1.59 C ATOM 1012 CD LYS A 64 6.862 7.190 17.565 1.00 2.20 C ATOM 1013 CE LYS A 64 7.774 6.601 18.652 1.00 2.79 C ATOM 1014 NZ LYS A 64 9.034 6.056 18.094 1.00 3.61 N ATOM 0 H LYS A 64 3.102 6.073 14.727 1.00 0.89 H new ATOM 0 HA LYS A 64 4.040 7.404 17.151 1.00 0.92 H new ATOM 0 HB2 LYS A 64 5.088 5.840 14.898 1.00 0.96 H new ATOM 0 HB3 LYS A 64 5.954 7.360 15.003 1.00 0.96 H new ATOM 0 HG2 LYS A 64 5.595 5.454 17.356 1.00 1.59 H new ATOM 0 HG3 LYS A 64 6.994 5.445 16.301 1.00 1.59 H new ATOM 0 HD2 LYS A 64 7.441 7.852 16.921 1.00 2.20 H new ATOM 0 HD3 LYS A 64 6.084 7.796 18.029 1.00 2.20 H new ATOM 0 HE2 LYS A 64 8.008 7.373 19.385 1.00 2.79 H new ATOM 0 HE3 LYS A 64 7.242 5.811 19.181 1.00 2.79 H new ATOM 0 HZ1 LYS A 64 9.562 5.565 18.844 1.00 3.61 H new ATOM 0 HZ2 LYS A 64 8.814 5.386 17.330 1.00 3.61 H new ATOM 0 HZ3 LYS A 64 9.612 6.834 17.716 1.00 3.61 H new ATOM 1028 N LEU A 65 3.101 9.199 14.708 1.00 0.98 N ATOM 1029 CA LEU A 65 2.961 10.563 14.181 1.00 1.06 C ATOM 1030 C LEU A 65 2.309 11.500 15.220 1.00 1.46 C ATOM 1031 O LEU A 65 1.511 11.037 16.032 1.00 1.78 O ATOM 1032 CB LEU A 65 2.089 10.538 12.905 1.00 1.29 C ATOM 1033 CG LEU A 65 2.659 9.759 11.704 1.00 1.14 C ATOM 1034 CD1 LEU A 65 1.623 9.747 10.569 1.00 1.57 C ATOM 1035 CD2 LEU A 65 3.973 10.366 11.186 1.00 1.44 C ATOM 0 H LEU A 65 2.418 8.548 14.320 1.00 0.98 H new ATOM 0 HA LEU A 65 3.957 10.940 13.950 1.00 1.06 H new ATOM 0 HB2 LEU A 65 1.120 10.110 13.161 1.00 1.29 H new ATOM 0 HB3 LEU A 65 1.911 11.567 12.592 1.00 1.29 H new ATOM 0 HG LEU A 65 2.874 8.745 12.040 1.00 1.14 H new ATOM 0 HD11 LEU A 65 2.023 9.197 9.717 1.00 1.57 H new ATOM 0 HD12 LEU A 65 0.709 9.265 10.916 1.00 1.57 H new ATOM 0 HD13 LEU A 65 1.401 10.771 10.268 1.00 1.57 H new ATOM 0 HD21 LEU A 65 4.335 9.782 10.340 1.00 1.44 H new ATOM 0 HD22 LEU A 65 3.799 11.394 10.869 1.00 1.44 H new ATOM 0 HD23 LEU A 65 4.718 10.353 11.981 1.00 1.44 H new ATOM 1047 N PRO A 66 2.534 12.829 15.157 1.00 1.18 N ATOM 1048 CA PRO A 66 1.614 13.767 15.776 1.00 1.41 C ATOM 1049 C PRO A 66 0.259 13.670 15.059 1.00 1.60 C ATOM 1050 O PRO A 66 0.227 13.432 13.843 1.00 1.38 O ATOM 1051 CB PRO A 66 2.245 15.151 15.624 1.00 1.58 C ATOM 1052 CG PRO A 66 3.104 15.015 14.369 1.00 1.47 C ATOM 1053 CD PRO A 66 3.508 13.538 14.340 1.00 1.27 C ATOM 0 HA PRO A 66 1.439 13.558 16.831 1.00 1.41 H new ATOM 0 HB2 PRO A 66 1.488 15.927 15.510 1.00 1.58 H new ATOM 0 HB3 PRO A 66 2.845 15.416 16.494 1.00 1.58 H new ATOM 0 HG2 PRO A 66 2.546 15.292 13.474 1.00 1.47 H new ATOM 0 HG3 PRO A 66 3.978 15.665 14.414 1.00 1.47 H new ATOM 0 HD2 PRO A 66 3.510 13.156 13.319 1.00 1.27 H new ATOM 0 HD3 PRO A 66 4.516 13.403 14.733 1.00 1.27 H new ATOM 1061 N PRO A 67 -0.864 13.908 15.761 1.00 1.56 N ATOM 1062 CA PRO A 67 -2.198 13.762 15.194 1.00 1.86 C ATOM 1063 C PRO A 67 -2.482 14.739 14.044 1.00 2.00 C ATOM 1064 O PRO A 67 -3.467 14.544 13.341 1.00 2.09 O ATOM 1065 CB PRO A 67 -3.166 13.950 16.369 1.00 2.21 C ATOM 1066 CG PRO A 67 -2.375 14.804 17.357 1.00 2.20 C ATOM 1067 CD PRO A 67 -0.946 14.307 17.159 1.00 1.74 C ATOM 0 HA PRO A 67 -2.312 12.782 14.731 1.00 1.86 H new ATOM 0 HB2 PRO A 67 -4.084 14.447 16.056 1.00 2.21 H new ATOM 0 HB3 PRO A 67 -3.454 12.994 16.807 1.00 2.21 H new ATOM 0 HG2 PRO A 67 -2.468 15.868 17.138 1.00 2.20 H new ATOM 0 HG3 PRO A 67 -2.716 14.659 18.382 1.00 2.20 H new ATOM 0 HD2 PRO A 67 -0.223 15.090 17.387 1.00 1.74 H new ATOM 0 HD3 PRO A 67 -0.727 13.469 17.820 1.00 1.74 H new ATOM 1075 N LYS A 68 -1.626 15.746 13.813 1.00 1.86 N ATOM 1076 CA LYS A 68 -1.730 16.658 12.660 1.00 1.96 C ATOM 1077 C LYS A 68 -1.017 16.115 11.402 1.00 1.96 C ATOM 1078 O LYS A 68 -1.427 16.378 10.276 1.00 2.01 O ATOM 1079 CB LYS A 68 -1.152 18.026 13.067 1.00 2.14 C ATOM 1080 CG LYS A 68 -1.980 18.828 14.095 1.00 2.75 C ATOM 1081 CD LYS A 68 -3.230 19.514 13.508 1.00 3.19 C ATOM 1082 CE LYS A 68 -4.506 18.665 13.614 1.00 4.64 C ATOM 1083 NZ LYS A 68 -5.542 19.145 12.671 1.00 4.63 N ATOM 0 H LYS A 68 -0.836 15.953 14.424 1.00 1.86 H new ATOM 0 HA LYS A 68 -2.782 16.753 12.391 1.00 1.96 H new ATOM 0 HB2 LYS A 68 -0.154 17.870 13.476 1.00 2.14 H new ATOM 0 HB3 LYS A 68 -1.038 18.633 12.169 1.00 2.14 H new ATOM 0 HG2 LYS A 68 -2.291 18.157 14.896 1.00 2.75 H new ATOM 0 HG3 LYS A 68 -1.341 19.588 14.545 1.00 2.75 H new ATOM 0 HD2 LYS A 68 -3.390 20.461 14.024 1.00 3.19 H new ATOM 0 HD3 LYS A 68 -3.046 19.749 12.460 1.00 3.19 H new ATOM 0 HE2 LYS A 68 -4.272 17.622 13.402 1.00 4.64 H new ATOM 0 HE3 LYS A 68 -4.890 18.705 14.633 1.00 4.64 H new ATOM 0 HZ1 LYS A 68 -6.129 18.344 12.363 1.00 4.63 H new ATOM 0 HZ2 LYS A 68 -6.141 19.851 13.144 1.00 4.63 H new ATOM 0 HZ3 LYS A 68 -5.084 19.578 11.843 1.00 4.63 H new ATOM 1097 N ALA A 69 0.060 15.340 11.574 1.00 1.43 N ATOM 1098 CA ALA A 69 0.707 14.647 10.457 1.00 1.17 C ATOM 1099 C ALA A 69 -0.089 13.424 9.977 1.00 1.20 C ATOM 1100 O ALA A 69 -0.037 13.116 8.791 1.00 1.25 O ATOM 1101 CB ALA A 69 2.152 14.300 10.813 1.00 1.11 C ATOM 0 H ALA A 69 0.502 15.178 12.479 1.00 1.43 H new ATOM 0 HA ALA A 69 0.725 15.331 9.608 1.00 1.17 H new ATOM 0 HB1 ALA A 69 2.620 13.786 9.974 1.00 1.11 H new ATOM 0 HB2 ALA A 69 2.703 15.215 11.031 1.00 1.11 H new ATOM 0 HB3 ALA A 69 2.165 13.652 11.689 1.00 1.11 H new ATOM 1107 N GLN A 70 -0.875 12.766 10.840 1.00 1.14 N ATOM 1108 CA GLN A 70 -1.735 11.653 10.406 1.00 1.22 C ATOM 1109 C GLN A 70 -2.684 12.102 9.279 1.00 1.34 C ATOM 1110 O GLN A 70 -2.819 11.396 8.290 1.00 1.57 O ATOM 1111 CB GLN A 70 -2.464 11.013 11.605 1.00 1.46 C ATOM 1112 CG GLN A 70 -3.923 11.467 11.776 1.00 2.25 C ATOM 1113 CD GLN A 70 -4.601 10.859 12.995 1.00 2.49 C ATOM 1114 OE1 GLN A 70 -4.935 9.684 13.032 1.00 2.97 O ATOM 1115 NE2 GLN A 70 -4.844 11.640 14.025 1.00 2.97 N ATOM 0 H GLN A 70 -0.934 12.982 11.835 1.00 1.14 H new ATOM 0 HA GLN A 70 -1.109 10.868 9.983 1.00 1.22 H new ATOM 0 HB2 GLN A 70 -2.444 9.929 11.490 1.00 1.46 H new ATOM 0 HB3 GLN A 70 -1.914 11.247 12.516 1.00 1.46 H new ATOM 0 HG2 GLN A 70 -3.952 12.554 11.857 1.00 2.25 H new ATOM 0 HG3 GLN A 70 -4.487 11.199 10.883 1.00 2.25 H new ATOM 0 HE21 GLN A 70 -4.567 12.621 13.998 1.00 2.97 H new ATOM 0 HE22 GLN A 70 -5.310 11.264 14.851 1.00 2.97 H new ATOM 1124 N GLU A 71 -3.244 13.317 9.378 1.00 1.37 N ATOM 1125 CA GLU A 71 -4.134 13.949 8.384 1.00 1.48 C ATOM 1126 C GLU A 71 -3.534 13.945 6.978 1.00 1.43 C ATOM 1127 O GLU A 71 -4.234 13.901 5.970 1.00 1.77 O ATOM 1128 CB GLU A 71 -4.372 15.427 8.752 1.00 1.68 C ATOM 1129 CG GLU A 71 -4.687 15.617 10.232 1.00 2.45 C ATOM 1130 CD GLU A 71 -5.073 17.054 10.563 1.00 2.97 C ATOM 1131 OE1 GLU A 71 -4.177 17.921 10.676 1.00 2.91 O ATOM 1132 OE2 GLU A 71 -6.253 17.307 10.869 1.00 4.22 O ATOM 0 H GLU A 71 -3.084 13.915 10.188 1.00 1.37 H new ATOM 0 HA GLU A 71 -5.057 13.369 8.393 1.00 1.48 H new ATOM 0 HB2 GLU A 71 -3.487 16.009 8.495 1.00 1.68 H new ATOM 0 HB3 GLU A 71 -5.196 15.819 8.155 1.00 1.68 H new ATOM 0 HG2 GLU A 71 -5.501 14.950 10.516 1.00 2.45 H new ATOM 0 HG3 GLU A 71 -3.819 15.331 10.825 1.00 2.45 H new ATOM 1139 N ARG A 72 -2.207 14.022 6.933 1.00 0.91 N ATOM 1140 CA ARG A 72 -1.422 14.008 5.717 1.00 0.89 C ATOM 1141 C ARG A 72 -1.134 12.595 5.195 1.00 1.19 C ATOM 1142 O ARG A 72 -0.879 12.491 4.001 1.00 1.48 O ATOM 1143 CB ARG A 72 -0.126 14.793 5.936 1.00 1.29 C ATOM 1144 CG ARG A 72 -0.374 16.286 6.212 1.00 1.45 C ATOM 1145 CD ARG A 72 0.982 16.972 6.095 1.00 1.50 C ATOM 1146 NE ARG A 72 0.915 18.444 6.195 1.00 2.22 N ATOM 1147 CZ ARG A 72 1.911 19.255 5.841 1.00 2.70 C ATOM 1148 NH1 ARG A 72 2.981 18.803 5.224 1.00 3.23 N ATOM 1149 NH2 ARG A 72 1.852 20.546 6.099 1.00 3.57 N ATOM 0 H ARG A 72 -1.636 14.098 7.774 1.00 0.91 H new ATOM 0 HA ARG A 72 -2.016 14.490 4.941 1.00 0.89 H new ATOM 0 HB2 ARG A 72 0.419 14.359 6.774 1.00 1.29 H new ATOM 0 HB3 ARG A 72 0.508 14.691 5.056 1.00 1.29 H new ATOM 0 HG2 ARG A 72 -1.083 16.701 5.496 1.00 1.45 H new ATOM 0 HG3 ARG A 72 -0.800 16.433 7.205 1.00 1.45 H new ATOM 0 HD2 ARG A 72 1.639 16.593 6.878 1.00 1.50 H new ATOM 0 HD3 ARG A 72 1.434 16.702 5.141 1.00 1.50 H new ATOM 0 HE ARG A 72 0.058 18.863 6.555 1.00 2.22 H new ATOM 0 HH11 ARG A 72 3.062 17.810 5.006 1.00 3.23 H new ATOM 0 HH12 ARG A 72 3.729 19.445 4.964 1.00 3.23 H new ATOM 0 HH21 ARG A 72 1.038 20.934 6.575 1.00 3.57 H new ATOM 0 HH22 ARG A 72 2.621 21.157 5.823 1.00 3.57 H new ATOM 1163 N VAL A 73 -1.159 11.541 6.014 1.00 0.89 N ATOM 1164 CA VAL A 73 -0.747 10.169 5.654 1.00 0.98 C ATOM 1165 C VAL A 73 -1.973 9.252 5.625 1.00 1.15 C ATOM 1166 O VAL A 73 -2.551 8.953 6.667 1.00 1.53 O ATOM 1167 CB VAL A 73 0.317 9.619 6.645 1.00 1.22 C ATOM 1168 CG1 VAL A 73 0.729 8.173 6.309 1.00 1.70 C ATOM 1169 CG2 VAL A 73 1.587 10.490 6.637 1.00 2.32 C ATOM 0 H VAL A 73 -1.476 11.615 6.981 1.00 0.89 H new ATOM 0 HA VAL A 73 -0.293 10.196 4.663 1.00 0.98 H new ATOM 0 HB VAL A 73 -0.149 9.641 7.630 1.00 1.22 H new ATOM 0 HG11 VAL A 73 1.474 7.831 7.027 1.00 1.70 H new ATOM 0 HG12 VAL A 73 -0.146 7.525 6.357 1.00 1.70 H new ATOM 0 HG13 VAL A 73 1.151 8.139 5.305 1.00 1.70 H new ATOM 0 HG21 VAL A 73 2.313 10.081 7.340 1.00 2.32 H new ATOM 0 HG22 VAL A 73 2.016 10.498 5.635 1.00 2.32 H new ATOM 0 HG23 VAL A 73 1.332 11.508 6.931 1.00 2.32 H new ATOM 1179 N GLN A 74 -2.363 8.786 4.435 1.00 0.84 N ATOM 1180 CA GLN A 74 -3.458 7.823 4.257 1.00 0.84 C ATOM 1181 C GLN A 74 -2.919 6.512 3.660 1.00 1.09 C ATOM 1182 O GLN A 74 -2.039 6.545 2.800 1.00 1.35 O ATOM 1183 CB GLN A 74 -4.567 8.462 3.391 1.00 0.94 C ATOM 1184 CG GLN A 74 -5.978 8.182 3.938 1.00 1.32 C ATOM 1185 CD GLN A 74 -6.348 6.708 3.879 1.00 2.78 C ATOM 1186 OE1 GLN A 74 -6.007 5.934 4.759 1.00 4.27 O ATOM 1187 NE2 GLN A 74 -6.956 6.239 2.812 1.00 3.88 N ATOM 0 H GLN A 74 -1.924 9.068 3.559 1.00 0.84 H new ATOM 0 HA GLN A 74 -3.899 7.570 5.221 1.00 0.84 H new ATOM 0 HB2 GLN A 74 -4.408 9.539 3.340 1.00 0.94 H new ATOM 0 HB3 GLN A 74 -4.493 8.080 2.373 1.00 0.94 H new ATOM 0 HG2 GLN A 74 -6.038 8.527 4.970 1.00 1.32 H new ATOM 0 HG3 GLN A 74 -6.706 8.758 3.367 1.00 1.32 H new ATOM 0 HE21 GLN A 74 -7.246 6.875 2.069 1.00 3.88 H new ATOM 0 HE22 GLN A 74 -7.138 5.239 2.727 1.00 3.88 H new ATOM 1196 N VAL A 75 -3.437 5.360 4.111 1.00 0.76 N ATOM 1197 CA VAL A 75 -2.971 4.030 3.702 1.00 0.70 C ATOM 1198 C VAL A 75 -4.057 3.316 2.903 1.00 0.86 C ATOM 1199 O VAL A 75 -5.192 3.152 3.358 1.00 1.10 O ATOM 1200 CB VAL A 75 -2.547 3.144 4.897 1.00 0.76 C ATOM 1201 CG1 VAL A 75 -1.908 1.835 4.390 1.00 0.82 C ATOM 1202 CG2 VAL A 75 -1.541 3.863 5.815 1.00 1.02 C ATOM 0 H VAL A 75 -4.205 5.328 4.782 1.00 0.76 H new ATOM 0 HA VAL A 75 -2.087 4.187 3.084 1.00 0.70 H new ATOM 0 HB VAL A 75 -3.448 2.927 5.471 1.00 0.76 H new ATOM 0 HG11 VAL A 75 -1.614 1.220 5.241 1.00 0.82 H new ATOM 0 HG12 VAL A 75 -2.629 1.290 3.781 1.00 0.82 H new ATOM 0 HG13 VAL A 75 -1.029 2.068 3.790 1.00 0.82 H new ATOM 0 HG21 VAL A 75 -1.269 3.206 6.642 1.00 1.02 H new ATOM 0 HG22 VAL A 75 -0.647 4.119 5.246 1.00 1.02 H new ATOM 0 HG23 VAL A 75 -1.994 4.773 6.208 1.00 1.02 H new ATOM 1212 N ILE A 76 -3.673 2.854 1.712 1.00 0.67 N ATOM 1213 CA ILE A 76 -4.495 2.020 0.837 1.00 0.58 C ATOM 1214 C ILE A 76 -3.879 0.618 0.760 1.00 0.69 C ATOM 1215 O ILE A 76 -2.758 0.419 0.271 1.00 0.96 O ATOM 1216 CB ILE A 76 -4.643 2.643 -0.570 1.00 0.67 C ATOM 1217 CG1 ILE A 76 -5.330 4.032 -0.609 1.00 1.05 C ATOM 1218 CG2 ILE A 76 -5.494 1.719 -1.459 1.00 0.67 C ATOM 1219 CD1 ILE A 76 -4.527 5.178 0.010 1.00 1.95 C ATOM 0 H ILE A 76 -2.754 3.056 1.319 1.00 0.67 H new ATOM 0 HA ILE A 76 -5.499 1.952 1.255 1.00 0.58 H new ATOM 0 HB ILE A 76 -3.618 2.765 -0.920 1.00 0.67 H new ATOM 0 HG12 ILE A 76 -5.547 4.282 -1.647 1.00 1.05 H new ATOM 0 HG13 ILE A 76 -6.287 3.960 -0.092 1.00 1.05 H new ATOM 0 HG21 ILE A 76 -5.596 2.161 -2.450 1.00 0.67 H new ATOM 0 HG22 ILE A 76 -5.008 0.747 -1.544 1.00 0.67 H new ATOM 0 HG23 ILE A 76 -6.481 1.594 -1.014 1.00 0.67 H new ATOM 0 HD11 ILE A 76 -5.096 6.105 -0.068 1.00 1.95 H new ATOM 0 HD12 ILE A 76 -4.332 4.960 1.060 1.00 1.95 H new ATOM 0 HD13 ILE A 76 -3.581 5.287 -0.520 1.00 1.95 H new ATOM 1231 N PHE A 77 -4.663 -0.376 1.172 1.00 0.47 N ATOM 1232 CA PHE A 77 -4.325 -1.786 1.043 1.00 0.48 C ATOM 1233 C PHE A 77 -4.972 -2.282 -0.247 1.00 1.36 C ATOM 1234 O PHE A 77 -6.197 -2.370 -0.351 1.00 1.72 O ATOM 1235 CB PHE A 77 -4.835 -2.571 2.261 1.00 0.55 C ATOM 1236 CG PHE A 77 -4.638 -4.072 2.139 1.00 0.70 C ATOM 1237 CD1 PHE A 77 -3.341 -4.617 2.205 1.00 1.99 C ATOM 1238 CD2 PHE A 77 -5.738 -4.926 1.929 1.00 1.70 C ATOM 1239 CE1 PHE A 77 -3.145 -6.003 2.086 1.00 1.82 C ATOM 1240 CE2 PHE A 77 -5.540 -6.311 1.783 1.00 1.77 C ATOM 1241 CZ PHE A 77 -4.245 -6.852 1.867 1.00 0.92 C ATOM 0 H PHE A 77 -5.569 -0.217 1.613 1.00 0.47 H new ATOM 0 HA PHE A 77 -3.245 -1.931 1.003 1.00 0.48 H new ATOM 0 HB2 PHE A 77 -4.320 -2.216 3.154 1.00 0.55 H new ATOM 0 HB3 PHE A 77 -5.896 -2.362 2.400 1.00 0.55 H new ATOM 0 HD1 PHE A 77 -2.492 -3.965 2.348 1.00 1.99 H new ATOM 0 HD2 PHE A 77 -6.736 -4.516 1.880 1.00 1.70 H new ATOM 0 HE1 PHE A 77 -2.150 -6.416 2.163 1.00 1.82 H new ATOM 0 HE2 PHE A 77 -6.385 -6.960 1.606 1.00 1.77 H new ATOM 0 HZ PHE A 77 -4.095 -7.917 1.764 1.00 0.92 H new ATOM 1251 N VAL A 78 -4.135 -2.581 -1.235 1.00 0.53 N ATOM 1252 CA VAL A 78 -4.580 -3.019 -2.557 1.00 0.60 C ATOM 1253 C VAL A 78 -4.520 -4.539 -2.560 1.00 0.87 C ATOM 1254 O VAL A 78 -3.440 -5.133 -2.506 1.00 1.06 O ATOM 1255 CB VAL A 78 -3.735 -2.404 -3.698 1.00 0.78 C ATOM 1256 CG1 VAL A 78 -4.210 -2.907 -5.072 1.00 1.12 C ATOM 1257 CG2 VAL A 78 -3.866 -0.873 -3.678 1.00 1.14 C ATOM 0 H VAL A 78 -3.121 -2.526 -1.142 1.00 0.53 H new ATOM 0 HA VAL A 78 -5.597 -2.674 -2.745 1.00 0.60 H new ATOM 0 HB VAL A 78 -2.699 -2.704 -3.541 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -3.598 -2.459 -5.855 1.00 1.12 H new ATOM 0 HG12 VAL A 78 -4.116 -3.992 -5.115 1.00 1.12 H new ATOM 0 HG13 VAL A 78 -5.253 -2.627 -5.221 1.00 1.12 H new ATOM 0 HG21 VAL A 78 -3.269 -0.446 -4.484 1.00 1.14 H new ATOM 0 HG22 VAL A 78 -4.911 -0.595 -3.815 1.00 1.14 H new ATOM 0 HG23 VAL A 78 -3.511 -0.490 -2.721 1.00 1.14 H new ATOM 1267 N SER A 79 -5.700 -5.150 -2.576 1.00 0.69 N ATOM 1268 CA SER A 79 -5.846 -6.577 -2.838 1.00 0.67 C ATOM 1269 C SER A 79 -5.622 -6.886 -4.328 1.00 0.81 C ATOM 1270 O SER A 79 -5.862 -6.048 -5.200 1.00 1.19 O ATOM 1271 CB SER A 79 -7.180 -7.082 -2.271 1.00 1.14 C ATOM 1272 OG SER A 79 -7.761 -8.091 -3.075 1.00 2.03 O ATOM 0 H SER A 79 -6.583 -4.669 -2.407 1.00 0.69 H new ATOM 0 HA SER A 79 -5.070 -7.136 -2.315 1.00 0.67 H new ATOM 0 HB2 SER A 79 -7.020 -7.470 -1.265 1.00 1.14 H new ATOM 0 HB3 SER A 79 -7.874 -6.246 -2.184 1.00 1.14 H new ATOM 0 HG SER A 79 -8.641 -8.329 -2.716 1.00 2.03 H new ATOM 1278 N VAL A 80 -5.116 -8.090 -4.613 1.00 0.69 N ATOM 1279 CA VAL A 80 -4.617 -8.478 -5.954 1.00 0.86 C ATOM 1280 C VAL A 80 -5.259 -9.756 -6.502 1.00 1.26 C ATOM 1281 O VAL A 80 -4.965 -10.154 -7.627 1.00 1.38 O ATOM 1282 CB VAL A 80 -3.079 -8.628 -5.983 1.00 1.05 C ATOM 1283 CG1 VAL A 80 -2.366 -7.328 -5.572 1.00 2.38 C ATOM 1284 CG2 VAL A 80 -2.587 -9.789 -5.108 1.00 1.53 C ATOM 0 H VAL A 80 -5.037 -8.835 -3.920 1.00 0.69 H new ATOM 0 HA VAL A 80 -4.912 -7.654 -6.604 1.00 0.86 H new ATOM 0 HB VAL A 80 -2.824 -8.852 -7.019 1.00 1.05 H new ATOM 0 HG11 VAL A 80 -1.287 -7.478 -5.606 1.00 2.38 H new ATOM 0 HG12 VAL A 80 -2.643 -6.528 -6.259 1.00 2.38 H new ATOM 0 HG13 VAL A 80 -2.662 -7.055 -4.559 1.00 2.38 H new ATOM 0 HG21 VAL A 80 -1.500 -9.851 -5.163 1.00 1.53 H new ATOM 0 HG22 VAL A 80 -2.889 -9.619 -4.074 1.00 1.53 H new ATOM 0 HG23 VAL A 80 -3.022 -10.723 -5.464 1.00 1.53 H new ATOM 1294 N ASP A 81 -6.127 -10.407 -5.716 1.00 0.76 N ATOM 1295 CA ASP A 81 -6.955 -11.517 -6.184 1.00 0.84 C ATOM 1296 C ASP A 81 -8.414 -11.023 -6.300 1.00 1.12 C ATOM 1297 O ASP A 81 -9.067 -10.796 -5.274 1.00 1.65 O ATOM 1298 CB ASP A 81 -6.810 -12.741 -5.269 1.00 1.07 C ATOM 1299 CG ASP A 81 -7.510 -13.982 -5.845 1.00 1.77 C ATOM 1300 OD1 ASP A 81 -8.575 -13.805 -6.480 1.00 2.98 O ATOM 1301 OD2 ASP A 81 -7.024 -15.103 -5.584 1.00 2.19 O ATOM 0 H ASP A 81 -6.272 -10.174 -4.734 1.00 0.76 H new ATOM 0 HA ASP A 81 -6.623 -11.847 -7.168 1.00 0.84 H new ATOM 0 HB2 ASP A 81 -5.752 -12.959 -5.121 1.00 1.07 H new ATOM 0 HB3 ASP A 81 -7.229 -12.512 -4.289 1.00 1.07 H new ATOM 1306 N PRO A 82 -8.928 -10.844 -7.535 1.00 0.93 N ATOM 1307 CA PRO A 82 -10.265 -10.315 -7.792 1.00 1.20 C ATOM 1308 C PRO A 82 -11.365 -11.384 -7.701 1.00 1.30 C ATOM 1309 O PRO A 82 -12.543 -11.031 -7.693 1.00 1.78 O ATOM 1310 CB PRO A 82 -10.180 -9.728 -9.204 1.00 1.65 C ATOM 1311 CG PRO A 82 -9.200 -10.670 -9.903 1.00 1.59 C ATOM 1312 CD PRO A 82 -8.218 -11.030 -8.794 1.00 1.25 C ATOM 0 HA PRO A 82 -10.544 -9.577 -7.040 1.00 1.20 H new ATOM 0 HB2 PRO A 82 -11.152 -9.717 -9.697 1.00 1.65 H new ATOM 0 HB3 PRO A 82 -9.816 -8.701 -9.194 1.00 1.65 H new ATOM 0 HG2 PRO A 82 -9.702 -11.553 -10.299 1.00 1.59 H new ATOM 0 HG3 PRO A 82 -8.701 -10.184 -10.741 1.00 1.59 H new ATOM 0 HD2 PRO A 82 -7.876 -12.060 -8.898 1.00 1.25 H new ATOM 0 HD3 PRO A 82 -7.333 -10.395 -8.838 1.00 1.25 H new ATOM 1320 N GLU A 83 -11.016 -12.673 -7.621 1.00 0.92 N ATOM 1321 CA GLU A 83 -11.972 -13.761 -7.385 1.00 1.09 C ATOM 1322 C GLU A 83 -12.243 -13.915 -5.883 1.00 1.43 C ATOM 1323 O GLU A 83 -13.383 -14.116 -5.462 1.00 2.25 O ATOM 1324 CB GLU A 83 -11.394 -15.095 -7.894 1.00 1.24 C ATOM 1325 CG GLU A 83 -11.042 -15.154 -9.387 1.00 1.63 C ATOM 1326 CD GLU A 83 -10.355 -16.475 -9.760 1.00 2.09 C ATOM 1327 OE1 GLU A 83 -9.983 -17.253 -8.853 1.00 2.97 O ATOM 1328 OE2 GLU A 83 -10.144 -16.716 -10.969 1.00 2.59 O ATOM 0 H GLU A 83 -10.053 -12.993 -7.719 1.00 0.92 H new ATOM 0 HA GLU A 83 -12.893 -13.517 -7.914 1.00 1.09 H new ATOM 0 HB2 GLU A 83 -10.495 -15.320 -7.321 1.00 1.24 H new ATOM 0 HB3 GLU A 83 -12.114 -15.885 -7.680 1.00 1.24 H new ATOM 0 HG2 GLU A 83 -11.950 -15.037 -9.979 1.00 1.63 H new ATOM 0 HG3 GLU A 83 -10.387 -14.320 -9.639 1.00 1.63 H new ATOM 1335 N ARG A 84 -11.166 -13.855 -5.086 1.00 0.91 N ATOM 1336 CA ARG A 84 -11.117 -14.439 -3.739 1.00 0.98 C ATOM 1337 C ARG A 84 -10.838 -13.447 -2.612 1.00 1.19 C ATOM 1338 O ARG A 84 -11.101 -13.795 -1.465 1.00 1.44 O ATOM 1339 CB ARG A 84 -10.026 -15.517 -3.737 1.00 1.20 C ATOM 1340 CG ARG A 84 -10.407 -16.740 -4.583 1.00 2.19 C ATOM 1341 CD ARG A 84 -9.193 -17.413 -5.242 1.00 3.03 C ATOM 1342 NE ARG A 84 -9.352 -18.873 -5.193 1.00 3.53 N ATOM 1343 CZ ARG A 84 -10.141 -19.610 -5.958 1.00 4.54 C ATOM 1344 NH1 ARG A 84 -10.612 -19.262 -7.131 1.00 5.53 N ATOM 1345 NH2 ARG A 84 -10.491 -20.782 -5.501 1.00 5.12 N ATOM 0 H ARG A 84 -10.298 -13.396 -5.361 1.00 0.91 H new ATOM 0 HA ARG A 84 -12.111 -14.837 -3.534 1.00 0.98 H new ATOM 0 HB2 ARG A 84 -9.098 -15.091 -4.118 1.00 1.20 H new ATOM 0 HB3 ARG A 84 -9.834 -15.834 -2.712 1.00 1.20 H new ATOM 0 HG2 ARG A 84 -10.921 -17.466 -3.953 1.00 2.19 H new ATOM 0 HG3 ARG A 84 -11.111 -16.435 -5.357 1.00 2.19 H new ATOM 0 HD2 ARG A 84 -9.098 -17.082 -6.276 1.00 3.03 H new ATOM 0 HD3 ARG A 84 -8.278 -17.119 -4.728 1.00 3.03 H new ATOM 0 HE ARG A 84 -8.796 -19.370 -4.497 1.00 3.53 H new ATOM 0 HH11 ARG A 84 -10.375 -18.352 -7.526 1.00 5.53 H new ATOM 0 HH12 ARG A 84 -11.216 -19.901 -7.648 1.00 5.53 H new ATOM 0 HH21 ARG A 84 -10.157 -21.094 -4.589 1.00 5.12 H new ATOM 0 HH22 ARG A 84 -11.098 -21.385 -6.056 1.00 5.12 H new ATOM 1359 N ASP A 85 -10.326 -12.240 -2.880 1.00 0.75 N ATOM 1360 CA ASP A 85 -10.080 -11.226 -1.835 1.00 0.77 C ATOM 1361 C ASP A 85 -10.900 -9.930 -2.062 1.00 1.02 C ATOM 1362 O ASP A 85 -10.317 -8.865 -2.293 1.00 1.41 O ATOM 1363 CB ASP A 85 -8.567 -10.962 -1.714 1.00 0.95 C ATOM 1364 CG ASP A 85 -8.170 -10.319 -0.379 1.00 1.24 C ATOM 1365 OD1 ASP A 85 -8.991 -10.341 0.567 1.00 2.08 O ATOM 1366 OD2 ASP A 85 -6.988 -9.922 -0.244 1.00 2.11 O ATOM 0 H ASP A 85 -10.070 -11.935 -3.819 1.00 0.75 H new ATOM 0 HA ASP A 85 -10.432 -11.620 -0.882 1.00 0.77 H new ATOM 0 HB2 ASP A 85 -8.030 -11.903 -1.830 1.00 0.95 H new ATOM 0 HB3 ASP A 85 -8.252 -10.312 -2.531 1.00 0.95 H new ATOM 1371 N PRO A 86 -12.252 -10.003 -2.039 1.00 0.71 N ATOM 1372 CA PRO A 86 -13.155 -8.928 -2.461 1.00 0.94 C ATOM 1373 C PRO A 86 -13.123 -7.717 -1.509 1.00 0.99 C ATOM 1374 O PRO A 86 -12.781 -7.878 -0.334 1.00 0.73 O ATOM 1375 CB PRO A 86 -14.549 -9.573 -2.519 1.00 1.03 C ATOM 1376 CG PRO A 86 -14.467 -10.679 -1.472 1.00 0.96 C ATOM 1377 CD PRO A 86 -13.033 -11.166 -1.635 1.00 0.78 C ATOM 0 HA PRO A 86 -12.855 -8.520 -3.426 1.00 0.94 H new ATOM 0 HB2 PRO A 86 -15.335 -8.855 -2.285 1.00 1.03 H new ATOM 0 HB3 PRO A 86 -14.767 -9.972 -3.510 1.00 1.03 H new ATOM 0 HG2 PRO A 86 -14.658 -10.304 -0.467 1.00 0.96 H new ATOM 0 HG3 PRO A 86 -15.191 -11.472 -1.659 1.00 0.96 H new ATOM 0 HD2 PRO A 86 -12.655 -11.583 -0.702 1.00 0.78 H new ATOM 0 HD3 PRO A 86 -12.973 -11.955 -2.385 1.00 0.78 H new ATOM 1385 N PRO A 87 -13.521 -6.514 -1.982 1.00 0.60 N ATOM 1386 CA PRO A 87 -13.292 -5.245 -1.283 1.00 0.66 C ATOM 1387 C PRO A 87 -13.872 -5.223 0.127 1.00 0.91 C ATOM 1388 O PRO A 87 -13.240 -4.691 1.027 1.00 0.79 O ATOM 1389 CB PRO A 87 -13.932 -4.151 -2.143 1.00 0.75 C ATOM 1390 CG PRO A 87 -14.879 -4.901 -3.078 1.00 0.79 C ATOM 1391 CD PRO A 87 -14.215 -6.266 -3.238 1.00 0.72 C ATOM 0 HA PRO A 87 -12.220 -5.092 -1.156 1.00 0.66 H new ATOM 0 HB2 PRO A 87 -14.470 -3.429 -1.529 1.00 0.75 H new ATOM 0 HB3 PRO A 87 -13.179 -3.596 -2.703 1.00 0.75 H new ATOM 0 HG2 PRO A 87 -15.878 -4.988 -2.652 1.00 0.79 H new ATOM 0 HG3 PRO A 87 -14.985 -4.391 -4.036 1.00 0.79 H new ATOM 0 HD2 PRO A 87 -14.955 -7.041 -3.436 1.00 0.72 H new ATOM 0 HD3 PRO A 87 -13.519 -6.267 -4.077 1.00 0.72 H new ATOM 1399 N GLU A 88 -15.034 -5.841 0.344 1.00 0.64 N ATOM 1400 CA GLU A 88 -15.658 -5.950 1.662 1.00 0.80 C ATOM 1401 C GLU A 88 -14.803 -6.706 2.690 1.00 1.02 C ATOM 1402 O GLU A 88 -14.759 -6.318 3.851 1.00 1.27 O ATOM 1403 CB GLU A 88 -17.011 -6.670 1.476 1.00 1.10 C ATOM 1404 CG GLU A 88 -18.232 -5.747 1.564 1.00 1.31 C ATOM 1405 CD GLU A 88 -18.672 -5.562 3.011 1.00 2.14 C ATOM 1406 OE1 GLU A 88 -18.961 -6.583 3.667 1.00 2.98 O ATOM 1407 OE2 GLU A 88 -18.659 -4.430 3.526 1.00 3.35 O ATOM 0 H GLU A 88 -15.574 -6.285 -0.399 1.00 0.64 H new ATOM 0 HA GLU A 88 -15.780 -4.944 2.063 1.00 0.80 H new ATOM 0 HB2 GLU A 88 -17.015 -7.167 0.506 1.00 1.10 H new ATOM 0 HB3 GLU A 88 -17.103 -7.448 2.234 1.00 1.10 H new ATOM 0 HG2 GLU A 88 -17.992 -4.778 1.126 1.00 1.31 H new ATOM 0 HG3 GLU A 88 -19.052 -6.166 0.981 1.00 1.31 H new ATOM 1414 N VAL A 89 -14.145 -7.794 2.285 1.00 0.65 N ATOM 1415 CA VAL A 89 -13.229 -8.570 3.143 1.00 0.63 C ATOM 1416 C VAL A 89 -11.896 -7.831 3.305 1.00 0.93 C ATOM 1417 O VAL A 89 -11.385 -7.695 4.417 1.00 0.89 O ATOM 1418 CB VAL A 89 -13.015 -9.999 2.593 1.00 0.61 C ATOM 1419 CG1 VAL A 89 -12.042 -10.813 3.464 1.00 0.76 C ATOM 1420 CG2 VAL A 89 -14.351 -10.761 2.521 1.00 1.00 C ATOM 0 H VAL A 89 -14.230 -8.171 1.341 1.00 0.65 H new ATOM 0 HA VAL A 89 -13.687 -8.669 4.127 1.00 0.63 H new ATOM 0 HB VAL A 89 -12.589 -9.886 1.596 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -11.921 -11.810 3.040 1.00 0.76 H new ATOM 0 HG12 VAL A 89 -11.074 -10.312 3.494 1.00 0.76 H new ATOM 0 HG13 VAL A 89 -12.440 -10.894 4.475 1.00 0.76 H new ATOM 0 HG21 VAL A 89 -14.177 -11.764 2.131 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -14.785 -10.829 3.518 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -15.038 -10.230 1.862 1.00 1.00 H new ATOM 1430 N ALA A 90 -11.344 -7.334 2.189 1.00 0.61 N ATOM 1431 CA ALA A 90 -10.078 -6.613 2.161 1.00 0.61 C ATOM 1432 C ALA A 90 -10.117 -5.305 2.980 1.00 0.83 C ATOM 1433 O ALA A 90 -9.131 -5.009 3.654 1.00 0.92 O ATOM 1434 CB ALA A 90 -9.676 -6.411 0.690 1.00 0.64 C ATOM 0 H ALA A 90 -11.777 -7.427 1.270 1.00 0.61 H new ATOM 0 HA ALA A 90 -9.307 -7.203 2.657 1.00 0.61 H new ATOM 0 HB1 ALA A 90 -8.730 -5.872 0.642 1.00 0.64 H new ATOM 0 HB2 ALA A 90 -9.566 -7.382 0.206 1.00 0.64 H new ATOM 0 HB3 ALA A 90 -10.447 -5.836 0.178 1.00 0.64 H new ATOM 1440 N ASP A 91 -11.242 -4.566 3.019 1.00 0.62 N ATOM 1441 CA ASP A 91 -11.354 -3.373 3.874 1.00 0.62 C ATOM 1442 C ASP A 91 -11.226 -3.756 5.346 1.00 0.96 C ATOM 1443 O ASP A 91 -10.363 -3.215 6.032 1.00 1.09 O ATOM 1444 CB ASP A 91 -12.636 -2.579 3.580 1.00 0.61 C ATOM 1445 CG ASP A 91 -12.656 -1.236 4.330 1.00 0.72 C ATOM 1446 OD1 ASP A 91 -11.801 -0.372 4.018 1.00 1.69 O ATOM 1447 OD2 ASP A 91 -13.512 -1.069 5.230 1.00 1.59 O ATOM 0 H ASP A 91 -12.078 -4.773 2.473 1.00 0.62 H new ATOM 0 HA ASP A 91 -10.526 -2.705 3.638 1.00 0.62 H new ATOM 0 HB2 ASP A 91 -12.715 -2.399 2.508 1.00 0.61 H new ATOM 0 HB3 ASP A 91 -13.505 -3.170 3.869 1.00 0.61 H new ATOM 1452 N ARG A 92 -11.965 -4.775 5.801 1.00 0.63 N ATOM 1453 CA ARG A 92 -11.911 -5.274 7.185 1.00 0.69 C ATOM 1454 C ARG A 92 -10.481 -5.590 7.621 1.00 1.25 C ATOM 1455 O ARG A 92 -10.105 -5.312 8.758 1.00 1.52 O ATOM 1456 CB ARG A 92 -12.762 -6.544 7.344 1.00 0.79 C ATOM 1457 CG ARG A 92 -14.191 -6.402 6.805 1.00 1.11 C ATOM 1458 CD ARG A 92 -15.287 -6.453 7.874 1.00 1.49 C ATOM 1459 NE ARG A 92 -16.505 -5.722 7.470 1.00 2.55 N ATOM 1460 CZ ARG A 92 -17.272 -5.960 6.412 1.00 3.36 C ATOM 1461 NH1 ARG A 92 -17.006 -6.887 5.526 1.00 3.77 N ATOM 1462 NH2 ARG A 92 -18.345 -5.238 6.200 1.00 4.68 N ATOM 0 H ARG A 92 -12.626 -5.284 5.214 1.00 0.63 H new ATOM 0 HA ARG A 92 -12.307 -4.479 7.817 1.00 0.69 H new ATOM 0 HB2 ARG A 92 -12.269 -7.368 6.828 1.00 0.79 H new ATOM 0 HB3 ARG A 92 -12.807 -6.811 8.400 1.00 0.79 H new ATOM 0 HG2 ARG A 92 -14.270 -5.457 6.268 1.00 1.11 H new ATOM 0 HG3 ARG A 92 -14.372 -7.196 6.081 1.00 1.11 H new ATOM 0 HD2 ARG A 92 -15.542 -7.493 8.079 1.00 1.49 H new ATOM 0 HD3 ARG A 92 -14.904 -6.030 8.803 1.00 1.49 H new ATOM 0 HE ARG A 92 -16.789 -4.948 8.070 1.00 2.55 H new ATOM 0 HH11 ARG A 92 -16.175 -7.469 5.630 1.00 3.77 H new ATOM 0 HH12 ARG A 92 -17.630 -7.027 4.731 1.00 3.77 H new ATOM 0 HH21 ARG A 92 -18.593 -4.491 6.848 1.00 4.68 H new ATOM 0 HH22 ARG A 92 -18.932 -5.423 5.387 1.00 4.68 H new ATOM 1476 N TYR A 93 -9.677 -6.154 6.722 1.00 0.81 N ATOM 1477 CA TYR A 93 -8.284 -6.504 7.013 1.00 0.88 C ATOM 1478 C TYR A 93 -7.371 -5.290 7.219 1.00 1.19 C ATOM 1479 O TYR A 93 -6.524 -5.310 8.108 1.00 1.42 O ATOM 1480 CB TYR A 93 -7.750 -7.407 5.897 1.00 0.95 C ATOM 1481 CG TYR A 93 -6.615 -8.337 6.287 1.00 1.15 C ATOM 1482 CD1 TYR A 93 -6.712 -9.107 7.465 1.00 1.73 C ATOM 1483 CD2 TYR A 93 -5.543 -8.556 5.396 1.00 2.46 C ATOM 1484 CE1 TYR A 93 -5.816 -10.164 7.695 1.00 2.00 C ATOM 1485 CE2 TYR A 93 -4.642 -9.613 5.623 1.00 2.65 C ATOM 1486 CZ TYR A 93 -4.812 -10.455 6.745 1.00 1.81 C ATOM 1487 OH TYR A 93 -4.064 -11.582 6.890 1.00 2.40 O ATOM 0 H TYR A 93 -9.970 -6.382 5.772 1.00 0.81 H new ATOM 0 HA TYR A 93 -8.276 -7.034 7.965 1.00 0.88 H new ATOM 0 HB2 TYR A 93 -8.575 -8.010 5.517 1.00 0.95 H new ATOM 0 HB3 TYR A 93 -7.412 -6.776 5.075 1.00 0.95 H new ATOM 0 HD1 TYR A 93 -7.478 -8.883 8.193 1.00 1.73 H new ATOM 0 HD2 TYR A 93 -5.414 -7.912 4.539 1.00 2.46 H new ATOM 0 HE1 TYR A 93 -5.895 -10.753 8.597 1.00 2.00 H new ATOM 0 HE2 TYR A 93 -3.822 -9.780 4.941 1.00 2.65 H new ATOM 0 HH TYR A 93 -4.069 -12.088 6.051 1.00 2.40 H new ATOM 1497 N ALA A 94 -7.579 -4.215 6.457 1.00 0.77 N ATOM 1498 CA ALA A 94 -6.913 -2.932 6.670 1.00 0.77 C ATOM 1499 C ALA A 94 -7.441 -2.226 7.941 1.00 0.87 C ATOM 1500 O ALA A 94 -6.665 -1.777 8.787 1.00 0.93 O ATOM 1501 CB ALA A 94 -7.106 -2.112 5.387 1.00 0.84 C ATOM 0 H ALA A 94 -8.223 -4.212 5.666 1.00 0.77 H new ATOM 0 HA ALA A 94 -5.847 -3.062 6.855 1.00 0.77 H new ATOM 0 HB1 ALA A 94 -6.623 -1.141 5.500 1.00 0.84 H new ATOM 0 HB2 ALA A 94 -6.661 -2.643 4.545 1.00 0.84 H new ATOM 0 HB3 ALA A 94 -8.171 -1.969 5.204 1.00 0.84 H new ATOM 1507 N LYS A 95 -8.765 -2.210 8.132 1.00 0.64 N ATOM 1508 CA LYS A 95 -9.453 -1.627 9.295 1.00 0.69 C ATOM 1509 C LYS A 95 -9.068 -2.285 10.632 1.00 0.90 C ATOM 1510 O LYS A 95 -9.085 -1.601 11.655 1.00 1.08 O ATOM 1511 CB LYS A 95 -10.980 -1.760 9.131 1.00 0.88 C ATOM 1512 CG LYS A 95 -11.630 -0.985 7.975 1.00 1.65 C ATOM 1513 CD LYS A 95 -11.606 0.534 8.132 1.00 1.19 C ATOM 1514 CE LYS A 95 -12.451 1.103 6.989 1.00 1.28 C ATOM 1515 NZ LYS A 95 -12.263 2.557 6.824 1.00 1.93 N ATOM 0 H LYS A 95 -9.413 -2.617 7.457 1.00 0.64 H new ATOM 0 HA LYS A 95 -9.140 -0.583 9.327 1.00 0.69 H new ATOM 0 HB2 LYS A 95 -11.216 -2.817 9.005 1.00 0.88 H new ATOM 0 HB3 LYS A 95 -11.449 -1.438 10.060 1.00 0.88 H new ATOM 0 HG2 LYS A 95 -11.122 -1.249 7.048 1.00 1.65 H new ATOM 0 HG3 LYS A 95 -12.666 -1.310 7.875 1.00 1.65 H new ATOM 0 HD2 LYS A 95 -12.012 0.830 9.099 1.00 1.19 H new ATOM 0 HD3 LYS A 95 -10.585 0.913 8.085 1.00 1.19 H new ATOM 0 HE2 LYS A 95 -12.189 0.597 6.060 1.00 1.28 H new ATOM 0 HE3 LYS A 95 -13.504 0.894 7.180 1.00 1.28 H new ATOM 0 HZ1 LYS A 95 -13.132 2.978 6.436 1.00 1.93 H new ATOM 0 HZ2 LYS A 95 -12.052 2.987 7.747 1.00 1.93 H new ATOM 0 HZ3 LYS A 95 -11.472 2.733 6.172 1.00 1.93 H new ATOM 1529 N ALA A 96 -8.735 -3.584 10.641 1.00 0.70 N ATOM 1530 CA ALA A 96 -8.405 -4.352 11.850 1.00 0.76 C ATOM 1531 C ALA A 96 -7.152 -3.830 12.567 1.00 0.93 C ATOM 1532 O ALA A 96 -7.007 -3.996 13.775 1.00 1.10 O ATOM 1533 CB ALA A 96 -8.225 -5.823 11.447 1.00 0.91 C ATOM 0 H ALA A 96 -8.687 -4.142 9.789 1.00 0.70 H new ATOM 0 HA ALA A 96 -9.223 -4.242 12.563 1.00 0.76 H new ATOM 0 HB1 ALA A 96 -7.979 -6.414 12.329 1.00 0.91 H new ATOM 0 HB2 ALA A 96 -9.150 -6.195 11.007 1.00 0.91 H new ATOM 0 HB3 ALA A 96 -7.418 -5.905 10.719 1.00 0.91 H new ATOM 1539 N PHE A 97 -6.272 -3.158 11.822 1.00 0.81 N ATOM 1540 CA PHE A 97 -5.155 -2.403 12.374 1.00 0.92 C ATOM 1541 C PHE A 97 -5.609 -1.081 12.968 1.00 2.05 C ATOM 1542 O PHE A 97 -5.219 -0.733 14.089 1.00 2.43 O ATOM 1543 CB PHE A 97 -4.135 -2.181 11.253 1.00 1.17 C ATOM 1544 CG PHE A 97 -3.548 -3.504 10.847 1.00 1.29 C ATOM 1545 CD1 PHE A 97 -2.649 -4.140 11.713 1.00 1.65 C ATOM 1546 CD2 PHE A 97 -4.061 -4.176 9.728 1.00 2.70 C ATOM 1547 CE1 PHE A 97 -2.279 -5.474 11.473 1.00 1.66 C ATOM 1548 CE2 PHE A 97 -3.696 -5.512 9.492 1.00 2.80 C ATOM 1549 CZ PHE A 97 -2.819 -6.162 10.374 1.00 1.87 C ATOM 0 H PHE A 97 -6.320 -3.125 10.804 1.00 0.81 H new ATOM 0 HA PHE A 97 -4.702 -2.966 13.190 1.00 0.92 H new ATOM 0 HB2 PHE A 97 -4.615 -1.705 10.398 1.00 1.17 H new ATOM 0 HB3 PHE A 97 -3.347 -1.509 11.591 1.00 1.17 H new ATOM 0 HD1 PHE A 97 -2.243 -3.608 12.560 1.00 1.65 H new ATOM 0 HD2 PHE A 97 -4.733 -3.669 9.051 1.00 2.70 H new ATOM 0 HE1 PHE A 97 -1.581 -5.969 12.132 1.00 1.66 H new ATOM 0 HE2 PHE A 97 -4.089 -6.037 8.634 1.00 2.80 H new ATOM 0 HZ PHE A 97 -2.558 -7.197 10.207 1.00 1.87 H new ATOM 1559 N HIS A 98 -6.380 -0.315 12.195 1.00 0.96 N ATOM 1560 CA HIS A 98 -6.793 1.036 12.535 1.00 1.07 C ATOM 1561 C HIS A 98 -7.925 1.493 11.585 1.00 1.36 C ATOM 1562 O HIS A 98 -7.799 1.271 10.379 1.00 1.39 O ATOM 1563 CB HIS A 98 -5.550 1.931 12.417 1.00 1.22 C ATOM 1564 CG HIS A 98 -5.716 3.246 13.123 1.00 1.98 C ATOM 1565 ND1 HIS A 98 -5.939 4.475 12.550 1.00 2.63 N ATOM 1566 CD2 HIS A 98 -5.773 3.419 14.480 1.00 2.75 C ATOM 1567 CE1 HIS A 98 -6.149 5.363 13.536 1.00 3.47 C ATOM 1568 NE2 HIS A 98 -6.072 4.760 14.730 1.00 3.61 N ATOM 0 H HIS A 98 -6.740 -0.630 11.294 1.00 0.96 H new ATOM 0 HA HIS A 98 -7.189 1.093 13.549 1.00 1.07 H new ATOM 0 HB2 HIS A 98 -4.689 1.407 12.831 1.00 1.22 H new ATOM 0 HB3 HIS A 98 -5.336 2.113 11.364 1.00 1.22 H new ATOM 0 HD2 HIS A 98 -5.615 2.654 15.225 1.00 2.75 H new ATOM 0 HE1 HIS A 98 -6.351 6.413 13.387 1.00 3.47 H new ATOM 0 HE2 HIS A 98 -6.206 5.195 15.643 1.00 3.61 H new ATOM 1577 N PRO A 99 -9.012 2.128 12.069 1.00 1.21 N ATOM 1578 CA PRO A 99 -10.230 2.347 11.275 1.00 1.46 C ATOM 1579 C PRO A 99 -10.085 3.391 10.155 1.00 1.74 C ATOM 1580 O PRO A 99 -10.921 3.438 9.252 1.00 1.79 O ATOM 1581 CB PRO A 99 -11.303 2.758 12.291 1.00 1.84 C ATOM 1582 CG PRO A 99 -10.499 3.404 13.415 1.00 1.88 C ATOM 1583 CD PRO A 99 -9.225 2.565 13.442 1.00 1.41 C ATOM 0 HA PRO A 99 -10.485 1.436 10.734 1.00 1.46 H new ATOM 0 HB2 PRO A 99 -12.020 3.456 11.858 1.00 1.84 H new ATOM 0 HB3 PRO A 99 -11.870 1.898 12.646 1.00 1.84 H new ATOM 0 HG2 PRO A 99 -10.288 4.454 13.210 1.00 1.88 H new ATOM 0 HG3 PRO A 99 -11.030 3.365 14.366 1.00 1.88 H new ATOM 0 HD2 PRO A 99 -8.379 3.150 13.803 1.00 1.41 H new ATOM 0 HD3 PRO A 99 -9.332 1.712 14.112 1.00 1.41 H new ATOM 1591 N SER A 100 -9.025 4.202 10.184 1.00 1.64 N ATOM 1592 CA SER A 100 -8.680 5.184 9.141 1.00 1.83 C ATOM 1593 C SER A 100 -8.360 4.581 7.770 1.00 1.95 C ATOM 1594 O SER A 100 -8.338 5.318 6.790 1.00 2.48 O ATOM 1595 CB SER A 100 -7.443 5.995 9.558 1.00 1.91 C ATOM 1596 OG SER A 100 -7.511 6.443 10.896 1.00 2.66 O ATOM 0 H SER A 100 -8.359 4.197 10.957 1.00 1.64 H new ATOM 0 HA SER A 100 -9.577 5.796 9.044 1.00 1.83 H new ATOM 0 HB2 SER A 100 -6.551 5.382 9.429 1.00 1.91 H new ATOM 0 HB3 SER A 100 -7.337 6.855 8.896 1.00 1.91 H new ATOM 0 HG SER A 100 -6.756 7.040 11.080 1.00 2.66 H new ATOM 1602 N PHE A 101 -8.131 3.267 7.673 1.00 1.37 N ATOM 1603 CA PHE A 101 -7.504 2.636 6.513 1.00 1.13 C ATOM 1604 C PHE A 101 -8.578 2.245 5.483 1.00 2.01 C ATOM 1605 O PHE A 101 -9.745 2.081 5.825 1.00 2.48 O ATOM 1606 CB PHE A 101 -6.782 1.351 6.978 1.00 1.07 C ATOM 1607 CG PHE A 101 -5.389 1.484 7.572 1.00 1.38 C ATOM 1608 CD1 PHE A 101 -5.138 2.302 8.690 1.00 2.70 C ATOM 1609 CD2 PHE A 101 -4.333 0.728 7.031 1.00 1.86 C ATOM 1610 CE1 PHE A 101 -3.829 2.446 9.191 1.00 3.00 C ATOM 1611 CE2 PHE A 101 -3.036 0.822 7.566 1.00 1.86 C ATOM 1612 CZ PHE A 101 -2.778 1.707 8.624 1.00 2.18 C ATOM 0 H PHE A 101 -8.380 2.606 8.409 1.00 1.37 H new ATOM 0 HA PHE A 101 -6.800 3.334 6.060 1.00 1.13 H new ATOM 0 HB2 PHE A 101 -7.415 0.863 7.720 1.00 1.07 H new ATOM 0 HB3 PHE A 101 -6.716 0.678 6.123 1.00 1.07 H new ATOM 0 HD1 PHE A 101 -5.955 2.823 9.167 1.00 2.70 H new ATOM 0 HD2 PHE A 101 -4.520 0.069 6.196 1.00 1.86 H new ATOM 0 HE1 PHE A 101 -3.634 3.123 10.009 1.00 3.00 H new ATOM 0 HE2 PHE A 101 -2.240 0.214 7.163 1.00 1.86 H new ATOM 0 HZ PHE A 101 -1.773 1.820 9.002 1.00 2.18 H new ATOM 1622 N LEU A 102 -8.166 2.084 4.223 1.00 0.79 N ATOM 1623 CA LEU A 102 -8.999 1.620 3.100 1.00 0.71 C ATOM 1624 C LEU A 102 -8.475 0.280 2.571 1.00 0.85 C ATOM 1625 O LEU A 102 -7.274 0.172 2.315 1.00 1.14 O ATOM 1626 CB LEU A 102 -8.937 2.661 1.956 1.00 0.87 C ATOM 1627 CG LEU A 102 -9.999 3.776 1.949 1.00 1.27 C ATOM 1628 CD1 LEU A 102 -11.377 3.232 1.540 1.00 1.46 C ATOM 1629 CD2 LEU A 102 -10.117 4.537 3.276 1.00 2.33 C ATOM 0 H LEU A 102 -7.205 2.280 3.941 1.00 0.79 H new ATOM 0 HA LEU A 102 -10.025 1.497 3.448 1.00 0.71 H new ATOM 0 HB2 LEU A 102 -7.955 3.133 1.984 1.00 0.87 H new ATOM 0 HB3 LEU A 102 -9.006 2.125 1.010 1.00 0.87 H new ATOM 0 HG LEU A 102 -9.649 4.493 1.206 1.00 1.27 H new ATOM 0 HD11 LEU A 102 -12.105 4.044 1.545 1.00 1.46 H new ATOM 0 HD12 LEU A 102 -11.317 2.804 0.539 1.00 1.46 H new ATOM 0 HD13 LEU A 102 -11.688 2.462 2.246 1.00 1.46 H new ATOM 0 HD21 LEU A 102 -10.886 5.305 3.188 1.00 2.33 H new ATOM 0 HD22 LEU A 102 -10.387 3.842 4.071 1.00 2.33 H new ATOM 0 HD23 LEU A 102 -9.162 5.006 3.513 1.00 2.33 H new ATOM 1641 N GLY A 103 -9.366 -0.684 2.326 1.00 0.50 N ATOM 1642 CA GLY A 103 -9.077 -1.880 1.515 1.00 0.47 C ATOM 1643 C GLY A 103 -9.847 -1.894 0.195 1.00 0.59 C ATOM 1644 O GLY A 103 -11.064 -1.693 0.165 1.00 0.73 O ATOM 0 H GLY A 103 -10.320 -0.660 2.687 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -8.008 -1.925 1.308 1.00 0.47 H new ATOM 0 HA3 GLY A 103 -9.329 -2.773 2.088 1.00 0.47 H new ATOM 1648 N LEU A 104 -9.125 -2.134 -0.904 1.00 0.43 N ATOM 1649 CA LEU A 104 -9.628 -2.084 -2.278 1.00 0.46 C ATOM 1650 C LEU A 104 -9.376 -3.422 -2.990 1.00 1.08 C ATOM 1651 O LEU A 104 -8.253 -3.917 -3.039 1.00 1.32 O ATOM 1652 CB LEU A 104 -8.953 -0.926 -3.039 1.00 0.52 C ATOM 1653 CG LEU A 104 -9.044 0.476 -2.396 1.00 0.63 C ATOM 1654 CD1 LEU A 104 -8.352 1.515 -3.294 1.00 0.78 C ATOM 1655 CD2 LEU A 104 -10.483 0.954 -2.150 1.00 1.08 C ATOM 0 H LEU A 104 -8.136 -2.378 -0.858 1.00 0.43 H new ATOM 0 HA LEU A 104 -10.704 -1.909 -2.257 1.00 0.46 H new ATOM 0 HB2 LEU A 104 -7.899 -1.173 -3.168 1.00 0.52 H new ATOM 0 HB3 LEU A 104 -9.392 -0.872 -4.035 1.00 0.52 H new ATOM 0 HG LEU A 104 -8.551 0.384 -1.428 1.00 0.63 H new ATOM 0 HD11 LEU A 104 -8.422 2.500 -2.832 1.00 0.78 H new ATOM 0 HD12 LEU A 104 -7.303 1.247 -3.419 1.00 0.78 H new ATOM 0 HD13 LEU A 104 -8.840 1.536 -4.268 1.00 0.78 H new ATOM 0 HD21 LEU A 104 -10.465 1.945 -1.697 1.00 1.08 H new ATOM 0 HD22 LEU A 104 -11.019 0.998 -3.098 1.00 1.08 H new ATOM 0 HD23 LEU A 104 -10.988 0.258 -1.480 1.00 1.08 H new ATOM 1667 N SER A 105 -10.433 -4.012 -3.537 1.00 0.52 N ATOM 1668 CA SER A 105 -10.392 -5.013 -4.613 1.00 0.54 C ATOM 1669 C SER A 105 -11.674 -4.898 -5.440 1.00 0.78 C ATOM 1670 O SER A 105 -12.553 -4.121 -5.075 1.00 1.09 O ATOM 1671 CB SER A 105 -10.264 -6.433 -4.071 1.00 0.81 C ATOM 1672 OG SER A 105 -9.783 -7.293 -5.092 1.00 1.19 O ATOM 0 H SER A 105 -11.384 -3.802 -3.235 1.00 0.52 H new ATOM 0 HA SER A 105 -9.513 -4.816 -5.227 1.00 0.54 H new ATOM 0 HB2 SER A 105 -9.584 -6.448 -3.219 1.00 0.81 H new ATOM 0 HB3 SER A 105 -11.231 -6.784 -3.712 1.00 0.81 H new ATOM 0 HG SER A 105 -9.008 -7.793 -4.760 1.00 1.19 H new ATOM 1678 N GLY A 106 -11.858 -5.729 -6.464 1.00 0.90 N ATOM 1679 CA GLY A 106 -13.067 -5.724 -7.286 1.00 1.19 C ATOM 1680 C GLY A 106 -12.777 -6.145 -8.710 1.00 0.93 C ATOM 1681 O GLY A 106 -12.175 -7.187 -8.958 1.00 1.04 O ATOM 0 H GLY A 106 -11.171 -6.427 -6.748 1.00 0.90 H new ATOM 0 HA2 GLY A 106 -13.806 -6.397 -6.851 1.00 1.19 H new ATOM 0 HA3 GLY A 106 -13.505 -4.726 -7.284 1.00 1.19 H new ATOM 1685 N SER A 107 -13.201 -5.293 -9.633 1.00 0.78 N ATOM 1686 CA SER A 107 -12.899 -5.341 -11.057 1.00 0.89 C ATOM 1687 C SER A 107 -11.424 -5.733 -11.360 1.00 0.93 C ATOM 1688 O SER A 107 -10.484 -5.034 -10.941 1.00 0.97 O ATOM 1689 CB SER A 107 -13.304 -3.989 -11.666 1.00 1.46 C ATOM 1690 OG SER A 107 -12.569 -3.632 -12.817 1.00 1.86 O ATOM 0 H SER A 107 -13.800 -4.503 -9.394 1.00 0.78 H new ATOM 0 HA SER A 107 -13.476 -6.139 -11.524 1.00 0.89 H new ATOM 0 HB2 SER A 107 -14.364 -4.020 -11.920 1.00 1.46 H new ATOM 0 HB3 SER A 107 -13.179 -3.211 -10.913 1.00 1.46 H new ATOM 0 HG SER A 107 -12.929 -4.106 -13.595 1.00 1.86 H new ATOM 1696 N PRO A 108 -11.192 -6.834 -12.111 1.00 0.89 N ATOM 1697 CA PRO A 108 -9.853 -7.309 -12.453 1.00 0.98 C ATOM 1698 C PRO A 108 -9.096 -6.330 -13.356 1.00 1.19 C ATOM 1699 O PRO A 108 -7.877 -6.224 -13.243 1.00 1.03 O ATOM 1700 CB PRO A 108 -10.061 -8.660 -13.148 1.00 1.17 C ATOM 1701 CG PRO A 108 -11.471 -8.564 -13.720 1.00 1.19 C ATOM 1702 CD PRO A 108 -12.193 -7.746 -12.657 1.00 1.06 C ATOM 0 HA PRO A 108 -9.236 -7.401 -11.559 1.00 0.98 H new ATOM 0 HB2 PRO A 108 -9.322 -8.824 -13.932 1.00 1.17 H new ATOM 0 HB3 PRO A 108 -9.970 -9.489 -12.446 1.00 1.17 H new ATOM 0 HG2 PRO A 108 -11.484 -8.071 -14.692 1.00 1.19 H new ATOM 0 HG3 PRO A 108 -11.924 -9.546 -13.855 1.00 1.19 H new ATOM 0 HD2 PRO A 108 -13.030 -7.196 -13.088 1.00 1.06 H new ATOM 0 HD3 PRO A 108 -12.602 -8.390 -11.878 1.00 1.06 H new ATOM 1710 N GLU A 109 -9.796 -5.582 -14.221 1.00 0.87 N ATOM 1711 CA GLU A 109 -9.191 -4.483 -14.978 1.00 0.88 C ATOM 1712 C GLU A 109 -8.818 -3.305 -14.082 1.00 1.11 C ATOM 1713 O GLU A 109 -7.696 -2.814 -14.186 1.00 1.32 O ATOM 1714 CB GLU A 109 -9.967 -4.075 -16.228 1.00 0.98 C ATOM 1715 CG GLU A 109 -11.440 -3.788 -16.017 1.00 2.23 C ATOM 1716 CD GLU A 109 -12.214 -5.084 -15.808 1.00 2.49 C ATOM 1717 OE1 GLU A 109 -12.266 -5.892 -16.754 1.00 2.76 O ATOM 1718 OE2 GLU A 109 -12.604 -5.327 -14.643 1.00 3.57 O ATOM 0 H GLU A 109 -10.788 -5.722 -14.413 1.00 0.87 H new ATOM 0 HA GLU A 109 -8.256 -4.882 -15.372 1.00 0.88 H new ATOM 0 HB2 GLU A 109 -9.499 -3.186 -16.651 1.00 0.98 H new ATOM 0 HB3 GLU A 109 -9.872 -4.869 -16.969 1.00 0.98 H new ATOM 0 HG2 GLU A 109 -11.569 -3.137 -15.152 1.00 2.23 H new ATOM 0 HG3 GLU A 109 -11.839 -3.255 -16.880 1.00 2.23 H new ATOM 1725 N ALA A 110 -9.681 -2.912 -13.142 1.00 0.75 N ATOM 1726 CA ALA A 110 -9.365 -1.880 -12.146 1.00 0.71 C ATOM 1727 C ALA A 110 -8.117 -2.249 -11.323 1.00 0.81 C ATOM 1728 O ALA A 110 -7.175 -1.454 -11.257 1.00 0.82 O ATOM 1729 CB ALA A 110 -10.599 -1.629 -11.270 1.00 0.74 C ATOM 0 H ALA A 110 -10.620 -3.299 -13.048 1.00 0.75 H new ATOM 0 HA ALA A 110 -9.115 -0.950 -12.656 1.00 0.71 H new ATOM 0 HB1 ALA A 110 -10.369 -0.863 -10.529 1.00 0.74 H new ATOM 0 HB2 ALA A 110 -11.426 -1.293 -11.895 1.00 0.74 H new ATOM 0 HB3 ALA A 110 -10.879 -2.552 -10.763 1.00 0.74 H new ATOM 1735 N VAL A 111 -8.059 -3.471 -10.777 1.00 0.64 N ATOM 1736 CA VAL A 111 -6.842 -3.999 -10.111 1.00 0.60 C ATOM 1737 C VAL A 111 -5.616 -3.918 -11.045 1.00 1.04 C ATOM 1738 O VAL A 111 -4.532 -3.495 -10.634 1.00 0.92 O ATOM 1739 CB VAL A 111 -7.061 -5.455 -9.624 1.00 0.59 C ATOM 1740 CG1 VAL A 111 -5.761 -6.150 -9.172 1.00 1.06 C ATOM 1741 CG2 VAL A 111 -8.063 -5.501 -8.457 1.00 1.06 C ATOM 0 H VAL A 111 -8.843 -4.123 -10.780 1.00 0.64 H new ATOM 0 HA VAL A 111 -6.646 -3.374 -9.240 1.00 0.60 H new ATOM 0 HB VAL A 111 -7.452 -5.992 -10.488 1.00 0.59 H new ATOM 0 HG11 VAL A 111 -5.986 -7.165 -8.844 1.00 1.06 H new ATOM 0 HG12 VAL A 111 -5.059 -6.185 -10.005 1.00 1.06 H new ATOM 0 HG13 VAL A 111 -5.318 -5.592 -8.347 1.00 1.06 H new ATOM 0 HG21 VAL A 111 -8.199 -6.533 -8.134 1.00 1.06 H new ATOM 0 HG22 VAL A 111 -7.681 -4.908 -7.626 1.00 1.06 H new ATOM 0 HG23 VAL A 111 -9.020 -5.094 -8.783 1.00 1.06 H new ATOM 1751 N ARG A 112 -5.792 -4.284 -12.320 1.00 0.65 N ATOM 1752 CA ARG A 112 -4.736 -4.285 -13.334 1.00 0.66 C ATOM 1753 C ARG A 112 -4.210 -2.877 -13.677 1.00 0.97 C ATOM 1754 O ARG A 112 -2.995 -2.753 -13.825 1.00 1.08 O ATOM 1755 CB ARG A 112 -5.229 -5.110 -14.534 1.00 0.77 C ATOM 1756 CG ARG A 112 -4.300 -5.145 -15.756 1.00 1.31 C ATOM 1757 CD ARG A 112 -4.738 -4.129 -16.815 1.00 2.83 C ATOM 1758 NE ARG A 112 -5.981 -4.542 -17.506 1.00 3.91 N ATOM 1759 CZ ARG A 112 -6.694 -3.759 -18.310 1.00 5.54 C ATOM 1760 NH1 ARG A 112 -6.283 -2.556 -18.624 1.00 6.36 N ATOM 1761 NH2 ARG A 112 -7.840 -4.167 -18.809 1.00 6.79 N ATOM 0 H ARG A 112 -6.694 -4.594 -12.682 1.00 0.65 H new ATOM 0 HA ARG A 112 -3.842 -4.766 -12.938 1.00 0.66 H new ATOM 0 HB2 ARG A 112 -5.397 -6.134 -14.201 1.00 0.77 H new ATOM 0 HB3 ARG A 112 -6.195 -4.715 -14.848 1.00 0.77 H new ATOM 0 HG2 ARG A 112 -3.277 -4.932 -15.445 1.00 1.31 H new ATOM 0 HG3 ARG A 112 -4.300 -6.146 -16.187 1.00 1.31 H new ATOM 0 HD2 ARG A 112 -4.892 -3.158 -16.343 1.00 2.83 H new ATOM 0 HD3 ARG A 112 -3.941 -4.004 -17.548 1.00 2.83 H new ATOM 0 HE ARG A 112 -6.314 -5.494 -17.354 1.00 3.91 H new ATOM 0 HH11 ARG A 112 -5.401 -2.204 -18.250 1.00 6.36 H new ATOM 0 HH12 ARG A 112 -6.844 -1.971 -19.242 1.00 6.36 H new ATOM 0 HH21 ARG A 112 -8.194 -5.096 -18.581 1.00 6.79 H new ATOM 0 HH22 ARG A 112 -8.375 -3.554 -19.424 1.00 6.79 H new ATOM 1775 N GLU A 113 -5.043 -1.830 -13.746 1.00 0.64 N ATOM 1776 CA GLU A 113 -4.556 -0.461 -14.025 1.00 0.65 C ATOM 1777 C GLU A 113 -3.617 0.069 -12.933 1.00 1.02 C ATOM 1778 O GLU A 113 -2.530 0.578 -13.220 1.00 1.08 O ATOM 1779 CB GLU A 113 -5.665 0.548 -14.272 1.00 0.82 C ATOM 1780 CG GLU A 113 -6.643 0.195 -15.392 1.00 1.04 C ATOM 1781 CD GLU A 113 -6.139 -0.206 -16.784 1.00 2.04 C ATOM 1782 OE1 GLU A 113 -5.066 -0.842 -16.919 1.00 2.86 O ATOM 1783 OE2 GLU A 113 -6.920 -0.034 -17.746 1.00 3.08 O ATOM 0 H GLU A 113 -6.052 -1.898 -13.614 1.00 0.64 H new ATOM 0 HA GLU A 113 -3.994 -0.567 -14.953 1.00 0.65 H new ATOM 0 HB2 GLU A 113 -6.229 0.674 -13.348 1.00 0.82 H new ATOM 0 HB3 GLU A 113 -5.210 1.512 -14.502 1.00 0.82 H new ATOM 0 HG2 GLU A 113 -7.262 -0.625 -15.028 1.00 1.04 H new ATOM 0 HG3 GLU A 113 -7.299 1.055 -15.526 1.00 1.04 H new ATOM 1790 N ALA A 114 -4.015 -0.077 -11.665 1.00 0.60 N ATOM 1791 CA ALA A 114 -3.214 0.353 -10.517 1.00 0.62 C ATOM 1792 C ALA A 114 -1.891 -0.424 -10.432 1.00 0.85 C ATOM 1793 O ALA A 114 -0.819 0.177 -10.351 1.00 0.98 O ATOM 1794 CB ALA A 114 -4.069 0.189 -9.255 1.00 0.71 C ATOM 0 H ALA A 114 -4.907 -0.499 -11.406 1.00 0.60 H new ATOM 0 HA ALA A 114 -2.932 1.400 -10.626 1.00 0.62 H new ATOM 0 HB1 ALA A 114 -3.495 0.503 -8.383 1.00 0.71 H new ATOM 0 HB2 ALA A 114 -4.965 0.804 -9.340 1.00 0.71 H new ATOM 0 HB3 ALA A 114 -4.356 -0.857 -9.143 1.00 0.71 H new ATOM 1800 N ALA A 115 -1.949 -1.759 -10.500 1.00 0.57 N ATOM 1801 CA ALA A 115 -0.772 -2.628 -10.454 1.00 0.58 C ATOM 1802 C ALA A 115 0.240 -2.274 -11.554 1.00 0.79 C ATOM 1803 O ALA A 115 1.411 -2.027 -11.264 1.00 0.87 O ATOM 1804 CB ALA A 115 -1.243 -4.082 -10.567 1.00 0.66 C ATOM 0 H ALA A 115 -2.827 -2.271 -10.590 1.00 0.57 H new ATOM 0 HA ALA A 115 -0.251 -2.484 -9.508 1.00 0.58 H new ATOM 0 HB1 ALA A 115 -0.380 -4.747 -10.535 1.00 0.66 H new ATOM 0 HB2 ALA A 115 -1.911 -4.314 -9.737 1.00 0.66 H new ATOM 0 HB3 ALA A 115 -1.773 -4.221 -11.509 1.00 0.66 H new ATOM 1810 N GLN A 116 -0.218 -2.175 -12.807 1.00 0.59 N ATOM 1811 CA GLN A 116 0.624 -1.802 -13.946 1.00 0.66 C ATOM 1812 C GLN A 116 1.275 -0.428 -13.764 1.00 1.10 C ATOM 1813 O GLN A 116 2.432 -0.264 -14.139 1.00 1.21 O ATOM 1814 CB GLN A 116 -0.217 -1.814 -15.235 1.00 0.78 C ATOM 1815 CG GLN A 116 -0.530 -3.234 -15.727 1.00 1.17 C ATOM 1816 CD GLN A 116 0.693 -3.893 -16.358 1.00 2.05 C ATOM 1817 OE1 GLN A 116 1.526 -4.485 -15.698 1.00 2.84 O ATOM 1818 NE2 GLN A 116 0.871 -3.796 -17.660 1.00 2.97 N ATOM 0 H GLN A 116 -1.190 -2.353 -13.059 1.00 0.59 H new ATOM 0 HA GLN A 116 1.428 -2.535 -14.014 1.00 0.66 H new ATOM 0 HB2 GLN A 116 -1.151 -1.281 -15.059 1.00 0.78 H new ATOM 0 HB3 GLN A 116 0.316 -1.273 -16.017 1.00 0.78 H new ATOM 0 HG2 GLN A 116 -0.880 -3.840 -14.891 1.00 1.17 H new ATOM 0 HG3 GLN A 116 -1.340 -3.197 -16.455 1.00 1.17 H new ATOM 0 HE21 GLN A 116 0.185 -3.304 -18.233 1.00 2.97 H new ATOM 0 HE22 GLN A 116 1.694 -4.213 -18.095 1.00 2.97 H new ATOM 1827 N THR A 117 0.568 0.538 -13.162 1.00 0.65 N ATOM 1828 CA THR A 117 1.052 1.921 -13.018 1.00 0.70 C ATOM 1829 C THR A 117 2.247 2.009 -12.073 1.00 1.02 C ATOM 1830 O THR A 117 3.219 2.703 -12.384 1.00 0.98 O ATOM 1831 CB THR A 117 -0.101 2.838 -12.590 1.00 0.81 C ATOM 1832 OG1 THR A 117 -1.048 2.830 -13.631 1.00 1.10 O ATOM 1833 CG2 THR A 117 0.348 4.288 -12.404 1.00 1.00 C ATOM 0 H THR A 117 -0.357 0.384 -12.760 1.00 0.65 H new ATOM 0 HA THR A 117 1.412 2.265 -13.988 1.00 0.70 H new ATOM 0 HB THR A 117 -0.495 2.473 -11.641 1.00 0.81 H new ATOM 0 HG1 THR A 117 -1.610 2.031 -13.556 1.00 1.10 H new ATOM 0 HG21 THR A 117 -0.504 4.897 -12.101 1.00 1.00 H new ATOM 0 HG22 THR A 117 1.119 4.334 -11.635 1.00 1.00 H new ATOM 0 HG23 THR A 117 0.750 4.668 -13.343 1.00 1.00 H new ATOM 1841 N PHE A 118 2.197 1.324 -10.931 1.00 0.68 N ATOM 1842 CA PHE A 118 3.324 1.193 -10.005 1.00 0.73 C ATOM 1843 C PHE A 118 4.433 0.236 -10.479 1.00 1.78 C ATOM 1844 O PHE A 118 5.552 0.329 -9.973 1.00 2.14 O ATOM 1845 CB PHE A 118 2.770 0.835 -8.617 1.00 0.77 C ATOM 1846 CG PHE A 118 2.101 2.030 -7.965 1.00 0.93 C ATOM 1847 CD1 PHE A 118 2.883 3.024 -7.347 1.00 2.31 C ATOM 1848 CD2 PHE A 118 0.710 2.204 -8.055 1.00 1.82 C ATOM 1849 CE1 PHE A 118 2.278 4.173 -6.814 1.00 2.44 C ATOM 1850 CE2 PHE A 118 0.110 3.369 -7.554 1.00 1.64 C ATOM 1851 CZ PHE A 118 0.889 4.352 -6.926 1.00 1.18 C ATOM 0 H PHE A 118 1.358 0.836 -10.617 1.00 0.68 H new ATOM 0 HA PHE A 118 3.838 2.153 -9.959 1.00 0.73 H new ATOM 0 HB2 PHE A 118 2.053 0.019 -8.709 1.00 0.77 H new ATOM 0 HB3 PHE A 118 3.580 0.477 -7.981 1.00 0.77 H new ATOM 0 HD1 PHE A 118 3.954 2.902 -7.283 1.00 2.31 H new ATOM 0 HD2 PHE A 118 0.100 1.438 -8.511 1.00 1.82 H new ATOM 0 HE1 PHE A 118 2.880 4.920 -6.318 1.00 2.44 H new ATOM 0 HE2 PHE A 118 -0.956 3.510 -7.652 1.00 1.64 H new ATOM 0 HZ PHE A 118 0.423 5.242 -6.530 1.00 1.18 H new ATOM 1861 N GLY A 119 4.150 -0.669 -11.430 1.00 0.68 N ATOM 1862 CA GLY A 119 5.077 -1.727 -11.880 1.00 0.69 C ATOM 1863 C GLY A 119 4.923 -3.065 -11.150 1.00 0.73 C ATOM 1864 O GLY A 119 5.877 -3.833 -11.081 1.00 0.84 O ATOM 0 H GLY A 119 3.255 -0.688 -11.918 1.00 0.68 H new ATOM 0 HA2 GLY A 119 4.929 -1.892 -12.947 1.00 0.69 H new ATOM 0 HA3 GLY A 119 6.100 -1.374 -11.751 1.00 0.69 H new ATOM 1868 N VAL A 120 3.745 -3.345 -10.590 1.00 0.54 N ATOM 1869 CA VAL A 120 3.418 -4.591 -9.879 1.00 0.50 C ATOM 1870 C VAL A 120 3.004 -5.679 -10.867 1.00 0.73 C ATOM 1871 O VAL A 120 1.950 -5.614 -11.505 1.00 0.99 O ATOM 1872 CB VAL A 120 2.327 -4.370 -8.807 1.00 0.59 C ATOM 1873 CG1 VAL A 120 1.695 -5.675 -8.274 1.00 0.81 C ATOM 1874 CG2 VAL A 120 2.931 -3.566 -7.648 1.00 1.15 C ATOM 0 H VAL A 120 2.963 -2.691 -10.618 1.00 0.54 H new ATOM 0 HA VAL A 120 4.317 -4.921 -9.359 1.00 0.50 H new ATOM 0 HB VAL A 120 1.514 -3.824 -9.286 1.00 0.59 H new ATOM 0 HG11 VAL A 120 0.939 -5.434 -7.526 1.00 0.81 H new ATOM 0 HG12 VAL A 120 1.231 -6.217 -9.098 1.00 0.81 H new ATOM 0 HG13 VAL A 120 2.469 -6.296 -7.822 1.00 0.81 H new ATOM 0 HG21 VAL A 120 2.171 -3.403 -6.884 1.00 1.15 H new ATOM 0 HG22 VAL A 120 3.766 -4.119 -7.218 1.00 1.15 H new ATOM 0 HG23 VAL A 120 3.286 -2.604 -8.018 1.00 1.15 H new ATOM 1884 N PHE A 121 3.847 -6.706 -10.929 1.00 0.83 N ATOM 1885 CA PHE A 121 3.645 -7.959 -11.647 1.00 0.92 C ATOM 1886 C PHE A 121 3.033 -9.027 -10.724 1.00 1.56 C ATOM 1887 O PHE A 121 3.362 -9.117 -9.537 1.00 1.58 O ATOM 1888 CB PHE A 121 4.994 -8.404 -12.233 1.00 1.05 C ATOM 1889 CG PHE A 121 6.129 -8.483 -11.223 1.00 1.08 C ATOM 1890 CD1 PHE A 121 6.879 -7.333 -10.901 1.00 2.28 C ATOM 1891 CD2 PHE A 121 6.411 -9.703 -10.578 1.00 2.08 C ATOM 1892 CE1 PHE A 121 7.893 -7.404 -9.933 1.00 2.26 C ATOM 1893 CE2 PHE A 121 7.433 -9.773 -9.612 1.00 2.15 C ATOM 1894 CZ PHE A 121 8.174 -8.623 -9.290 1.00 1.39 C ATOM 0 H PHE A 121 4.746 -6.683 -10.448 1.00 0.83 H new ATOM 0 HA PHE A 121 2.936 -7.816 -12.462 1.00 0.92 H new ATOM 0 HB2 PHE A 121 4.869 -9.383 -12.696 1.00 1.05 H new ATOM 0 HB3 PHE A 121 5.278 -7.711 -13.025 1.00 1.05 H new ATOM 0 HD1 PHE A 121 6.673 -6.397 -11.399 1.00 2.28 H new ATOM 0 HD2 PHE A 121 5.842 -10.587 -10.825 1.00 2.08 H new ATOM 0 HE1 PHE A 121 8.459 -6.520 -9.681 1.00 2.26 H new ATOM 0 HE2 PHE A 121 7.647 -10.710 -9.119 1.00 2.15 H new ATOM 0 HZ PHE A 121 8.958 -8.675 -8.550 1.00 1.39 H new ATOM 1904 N TYR A 122 2.130 -9.838 -11.274 1.00 0.89 N ATOM 1905 CA TYR A 122 1.532 -11.009 -10.617 1.00 0.87 C ATOM 1906 C TYR A 122 1.290 -12.149 -11.619 1.00 1.25 C ATOM 1907 O TYR A 122 0.907 -11.897 -12.764 1.00 1.31 O ATOM 1908 CB TYR A 122 0.246 -10.613 -9.873 1.00 0.90 C ATOM 1909 CG TYR A 122 -0.861 -10.045 -10.742 1.00 1.06 C ATOM 1910 CD1 TYR A 122 -0.843 -8.681 -11.099 1.00 2.33 C ATOM 1911 CD2 TYR A 122 -1.913 -10.870 -11.192 1.00 2.07 C ATOM 1912 CE1 TYR A 122 -1.865 -8.140 -11.897 1.00 2.48 C ATOM 1913 CE2 TYR A 122 -2.941 -10.334 -11.994 1.00 2.22 C ATOM 1914 CZ TYR A 122 -2.919 -8.966 -12.352 1.00 1.57 C ATOM 1915 OH TYR A 122 -3.913 -8.451 -13.123 1.00 1.94 O ATOM 0 H TYR A 122 1.780 -9.697 -12.222 1.00 0.89 H new ATOM 0 HA TYR A 122 2.238 -11.385 -9.877 1.00 0.87 H new ATOM 0 HB2 TYR A 122 -0.138 -11.491 -9.353 1.00 0.90 H new ATOM 0 HB3 TYR A 122 0.500 -9.877 -9.110 1.00 0.90 H new ATOM 0 HD1 TYR A 122 -0.038 -8.048 -10.757 1.00 2.33 H new ATOM 0 HD2 TYR A 122 -1.931 -11.915 -10.921 1.00 2.07 H new ATOM 0 HE1 TYR A 122 -1.846 -7.093 -12.163 1.00 2.48 H new ATOM 0 HE2 TYR A 122 -3.746 -10.968 -12.335 1.00 2.22 H new ATOM 0 HH TYR A 122 -4.553 -9.158 -13.347 1.00 1.94 H new ATOM 1925 N GLN A 123 1.499 -13.401 -11.215 1.00 0.99 N ATOM 1926 CA GLN A 123 1.512 -14.562 -12.106 1.00 1.32 C ATOM 1927 C GLN A 123 0.632 -15.670 -11.533 1.00 1.33 C ATOM 1928 O GLN A 123 0.774 -16.036 -10.371 1.00 1.53 O ATOM 1929 CB GLN A 123 2.962 -15.067 -12.273 1.00 1.58 C ATOM 1930 CG GLN A 123 3.638 -14.607 -13.575 1.00 2.26 C ATOM 1931 CD GLN A 123 3.625 -13.096 -13.790 1.00 3.02 C ATOM 1932 OE1 GLN A 123 4.104 -12.304 -12.993 1.00 4.13 O ATOM 1933 NE2 GLN A 123 3.051 -12.634 -14.879 1.00 4.09 N ATOM 0 H GLN A 123 1.668 -13.643 -10.238 1.00 0.99 H new ATOM 0 HA GLN A 123 1.119 -14.273 -13.081 1.00 1.32 H new ATOM 0 HB2 GLN A 123 3.556 -14.723 -11.426 1.00 1.58 H new ATOM 0 HB3 GLN A 123 2.962 -16.157 -12.241 1.00 1.58 H new ATOM 0 HG2 GLN A 123 4.671 -14.953 -13.576 1.00 2.26 H new ATOM 0 HG3 GLN A 123 3.140 -15.086 -14.418 1.00 2.26 H new ATOM 0 HE21 GLN A 123 2.646 -13.281 -15.556 1.00 4.09 H new ATOM 0 HE22 GLN A 123 3.011 -11.629 -15.047 1.00 4.09 H new ATOM 1942 N LYS A 124 -0.249 -16.240 -12.363 1.00 1.38 N ATOM 1943 CA LYS A 124 -1.087 -17.375 -11.971 1.00 1.46 C ATOM 1944 C LYS A 124 -0.507 -18.697 -12.482 1.00 1.60 C ATOM 1945 O LYS A 124 -0.125 -18.812 -13.643 1.00 2.14 O ATOM 1946 CB LYS A 124 -2.562 -17.109 -12.338 1.00 2.00 C ATOM 1947 CG LYS A 124 -3.047 -17.464 -13.762 1.00 2.97 C ATOM 1948 CD LYS A 124 -3.957 -18.707 -13.800 1.00 3.81 C ATOM 1949 CE LYS A 124 -3.275 -19.934 -13.179 1.00 5.08 C ATOM 1950 NZ LYS A 124 -4.167 -21.102 -13.032 1.00 6.38 N ATOM 0 H LYS A 124 -0.400 -15.927 -13.322 1.00 1.38 H new ATOM 0 HA LYS A 124 -1.081 -17.484 -10.886 1.00 1.46 H new ATOM 0 HB2 LYS A 124 -3.183 -17.658 -11.631 1.00 2.00 H new ATOM 0 HB3 LYS A 124 -2.757 -16.049 -12.177 1.00 2.00 H new ATOM 0 HG2 LYS A 124 -3.587 -16.613 -14.178 1.00 2.97 H new ATOM 0 HG3 LYS A 124 -2.181 -17.636 -14.402 1.00 2.97 H new ATOM 0 HD2 LYS A 124 -4.883 -18.496 -13.264 1.00 3.81 H new ATOM 0 HD3 LYS A 124 -4.229 -18.926 -14.832 1.00 3.81 H new ATOM 0 HE2 LYS A 124 -2.422 -20.215 -13.797 1.00 5.08 H new ATOM 0 HE3 LYS A 124 -2.883 -19.663 -12.199 1.00 5.08 H new ATOM 0 HZ1 LYS A 124 -3.596 -21.959 -12.885 1.00 6.38 H new ATOM 0 HZ2 LYS A 124 -4.794 -20.960 -12.214 1.00 6.38 H new ATOM 0 HZ3 LYS A 124 -4.740 -21.211 -13.893 1.00 6.38 H new ATOM 1964 N SER A 125 -0.477 -19.731 -11.651 1.00 1.39 N ATOM 1965 CA SER A 125 0.197 -20.996 -11.975 1.00 1.57 C ATOM 1966 C SER A 125 -0.606 -22.220 -11.479 1.00 1.71 C ATOM 1967 O SER A 125 -1.816 -22.270 -11.721 1.00 2.63 O ATOM 1968 CB SER A 125 1.644 -20.920 -11.468 1.00 1.89 C ATOM 1969 OG SER A 125 2.411 -21.934 -12.090 1.00 2.83 O ATOM 0 H SER A 125 -0.918 -19.723 -10.731 1.00 1.39 H new ATOM 0 HA SER A 125 0.241 -21.143 -13.054 1.00 1.57 H new ATOM 0 HB2 SER A 125 2.068 -19.940 -11.689 1.00 1.89 H new ATOM 0 HB3 SER A 125 1.669 -21.042 -10.385 1.00 1.89 H new ATOM 0 HG SER A 125 2.851 -22.478 -11.404 1.00 2.83 H new ATOM 1975 N GLN A 126 0.072 -23.190 -10.839 1.00 1.75 N ATOM 1976 CA GLN A 126 -0.372 -24.397 -10.151 1.00 1.97 C ATOM 1977 C GLN A 126 -1.875 -24.474 -9.932 1.00 2.25 C ATOM 1978 O GLN A 126 -2.448 -23.742 -9.134 1.00 3.02 O ATOM 1979 CB GLN A 126 0.356 -24.535 -8.795 1.00 2.28 C ATOM 1980 CG GLN A 126 1.685 -25.315 -8.819 1.00 2.78 C ATOM 1981 CD GLN A 126 2.894 -24.563 -9.381 1.00 3.89 C ATOM 1982 OE1 GLN A 126 2.797 -23.587 -10.108 1.00 4.60 O ATOM 1983 NE2 GLN A 126 4.102 -25.002 -9.090 1.00 4.90 N ATOM 0 H GLN A 126 1.089 -23.126 -10.792 1.00 1.75 H new ATOM 0 HA GLN A 126 -0.116 -25.224 -10.813 1.00 1.97 H new ATOM 0 HB2 GLN A 126 0.551 -23.536 -8.406 1.00 2.28 H new ATOM 0 HB3 GLN A 126 -0.317 -25.025 -8.092 1.00 2.28 H new ATOM 0 HG2 GLN A 126 1.918 -25.628 -7.801 1.00 2.78 H new ATOM 0 HG3 GLN A 126 1.541 -26.222 -9.407 1.00 2.78 H new ATOM 0 HE21 GLN A 126 4.217 -25.815 -8.485 1.00 4.90 H new ATOM 0 HE22 GLN A 126 4.922 -24.528 -9.469 1.00 4.90 H new ATOM 1992 N TYR A 127 -2.473 -25.463 -10.582 1.00 2.51 N ATOM 1993 CA TYR A 127 -3.719 -26.072 -10.107 1.00 3.29 C ATOM 1994 C TYR A 127 -3.531 -26.666 -8.695 1.00 4.54 C ATOM 1995 O TYR A 127 -2.573 -27.399 -8.463 1.00 6.00 O ATOM 1996 CB TYR A 127 -4.234 -27.109 -11.123 1.00 4.72 C ATOM 1997 CG TYR A 127 -3.194 -28.054 -11.714 1.00 6.15 C ATOM 1998 CD1 TYR A 127 -2.758 -29.186 -10.997 1.00 7.72 C ATOM 1999 CD2 TYR A 127 -2.666 -27.800 -12.995 1.00 6.54 C ATOM 2000 CE1 TYR A 127 -1.799 -30.054 -11.552 1.00 9.38 C ATOM 2001 CE2 TYR A 127 -1.707 -28.667 -13.558 1.00 8.25 C ATOM 2002 CZ TYR A 127 -1.273 -29.802 -12.835 1.00 9.57 C ATOM 2003 OH TYR A 127 -0.349 -30.651 -13.362 1.00 11.36 O ATOM 0 H TYR A 127 -2.116 -25.867 -11.448 1.00 2.51 H new ATOM 0 HA TYR A 127 -4.484 -25.300 -10.025 1.00 3.29 H new ATOM 0 HB2 TYR A 127 -5.004 -27.709 -10.638 1.00 4.72 H new ATOM 0 HB3 TYR A 127 -4.715 -26.575 -11.942 1.00 4.72 H new ATOM 0 HD1 TYR A 127 -3.162 -29.389 -10.016 1.00 7.72 H new ATOM 0 HD2 TYR A 127 -2.998 -26.935 -13.550 1.00 6.54 H new ATOM 0 HE1 TYR A 127 -1.465 -30.916 -10.993 1.00 9.38 H new ATOM 0 HE2 TYR A 127 -1.305 -28.465 -14.540 1.00 8.25 H new ATOM 0 HH TYR A 127 -0.088 -30.338 -14.253 1.00 11.36 H new ATOM 2013 N ARG A 128 -4.460 -26.351 -7.779 1.00 4.35 N ATOM 2014 CA ARG A 128 -4.437 -26.500 -6.312 1.00 5.92 C ATOM 2015 C ARG A 128 -3.787 -25.261 -5.679 1.00 7.07 C ATOM 2016 O ARG A 128 -2.600 -24.995 -5.864 1.00 8.44 O ATOM 2017 CB ARG A 128 -3.763 -27.770 -5.741 1.00 6.55 C ATOM 2018 CG ARG A 128 -4.547 -29.083 -5.907 1.00 6.96 C ATOM 2019 CD ARG A 128 -4.568 -29.658 -7.324 1.00 6.46 C ATOM 2020 NE ARG A 128 -5.099 -31.036 -7.311 1.00 7.04 N ATOM 2021 CZ ARG A 128 -5.511 -31.753 -8.351 1.00 7.31 C ATOM 2022 NH1 ARG A 128 -5.526 -31.272 -9.576 1.00 7.14 N ATOM 2023 NH2 ARG A 128 -5.917 -32.994 -8.172 1.00 8.22 N ATOM 0 H ARG A 128 -5.344 -25.940 -8.080 1.00 4.35 H new ATOM 0 HA ARG A 128 -5.488 -26.608 -6.046 1.00 5.92 H new ATOM 0 HB2 ARG A 128 -2.791 -27.888 -6.220 1.00 6.55 H new ATOM 0 HB3 ARG A 128 -3.578 -27.612 -4.678 1.00 6.55 H new ATOM 0 HG2 ARG A 128 -4.120 -29.829 -5.236 1.00 6.96 H new ATOM 0 HG3 ARG A 128 -5.575 -28.916 -5.585 1.00 6.96 H new ATOM 0 HD2 ARG A 128 -5.183 -29.030 -7.969 1.00 6.46 H new ATOM 0 HD3 ARG A 128 -3.561 -29.653 -7.741 1.00 6.46 H new ATOM 0 HE ARG A 128 -5.156 -31.489 -6.399 1.00 7.04 H new ATOM 0 HH11 ARG A 128 -5.214 -30.317 -9.753 1.00 7.14 H new ATOM 0 HH12 ARG A 128 -5.850 -31.854 -10.349 1.00 7.14 H new ATOM 0 HH21 ARG A 128 -5.914 -33.402 -7.237 1.00 8.22 H new ATOM 0 HH22 ARG A 128 -6.234 -33.547 -8.968 1.00 8.22 H new ATOM 2037 N GLY A 129 -4.579 -24.520 -4.905 1.00 7.01 N ATOM 2038 CA GLY A 129 -4.168 -23.389 -4.065 1.00 8.69 C ATOM 2039 C GLY A 129 -5.193 -23.144 -2.953 1.00 8.95 C ATOM 2040 O GLY A 129 -5.646 -24.121 -2.354 1.00 8.77 O ATOM 0 H GLY A 129 -5.581 -24.701 -4.842 1.00 7.01 H new ATOM 0 HA2 GLY A 129 -3.190 -23.590 -3.628 1.00 8.69 H new ATOM 0 HA3 GLY A 129 -4.066 -22.493 -4.677 1.00 8.69 H new ATOM 2044 N PRO A 130 -5.595 -21.882 -2.674 1.00 9.73 N ATOM 2045 CA PRO A 130 -6.795 -21.572 -1.894 1.00 9.91 C ATOM 2046 C PRO A 130 -8.042 -21.891 -2.741 1.00 7.78 C ATOM 2047 O PRO A 130 -8.750 -20.998 -3.201 1.00 7.92 O ATOM 2048 CB PRO A 130 -6.648 -20.092 -1.511 1.00 11.79 C ATOM 2049 CG PRO A 130 -5.893 -19.502 -2.701 1.00 11.94 C ATOM 2050 CD PRO A 130 -4.962 -20.643 -3.117 1.00 11.12 C ATOM 0 HA PRO A 130 -6.910 -22.165 -0.987 1.00 9.91 H new ATOM 0 HB2 PRO A 130 -7.617 -19.613 -1.371 1.00 11.79 H new ATOM 0 HB3 PRO A 130 -6.094 -19.969 -0.580 1.00 11.79 H new ATOM 0 HG2 PRO A 130 -6.569 -19.218 -3.508 1.00 11.94 H new ATOM 0 HG3 PRO A 130 -5.336 -18.608 -2.422 1.00 11.94 H new ATOM 0 HD2 PRO A 130 -4.814 -20.648 -4.197 1.00 11.12 H new ATOM 0 HD3 PRO A 130 -3.979 -20.526 -2.661 1.00 11.12 H new ATOM 2058 N GLY A 131 -8.256 -23.185 -2.994 1.00 6.03 N ATOM 2059 CA GLY A 131 -9.175 -23.725 -3.996 1.00 4.20 C ATOM 2060 C GLY A 131 -8.425 -24.170 -5.255 1.00 2.97 C ATOM 2061 O GLY A 131 -7.439 -24.901 -5.166 1.00 3.47 O ATOM 0 H GLY A 131 -7.769 -23.919 -2.480 1.00 6.03 H new ATOM 0 HA2 GLY A 131 -9.719 -24.571 -3.576 1.00 4.20 H new ATOM 0 HA3 GLY A 131 -9.915 -22.969 -4.259 1.00 4.20 H new ATOM 2065 N GLU A 132 -8.916 -23.761 -6.421 1.00 2.88 N ATOM 2066 CA GLU A 132 -8.638 -24.410 -7.706 1.00 3.52 C ATOM 2067 C GLU A 132 -7.214 -24.205 -8.223 1.00 3.02 C ATOM 2068 O GLU A 132 -6.689 -25.048 -8.952 1.00 3.14 O ATOM 2069 CB GLU A 132 -9.646 -23.963 -8.792 1.00 5.66 C ATOM 2070 CG GLU A 132 -11.139 -24.076 -8.445 1.00 6.91 C ATOM 2071 CD GLU A 132 -11.560 -22.979 -7.470 1.00 7.87 C ATOM 2072 OE1 GLU A 132 -11.599 -21.800 -7.868 1.00 9.07 O ATOM 2073 OE2 GLU A 132 -11.630 -23.267 -6.258 1.00 7.75 O ATOM 0 H GLU A 132 -9.532 -22.952 -6.505 1.00 2.88 H new ATOM 0 HA GLU A 132 -8.749 -25.475 -7.505 1.00 3.52 H new ATOM 0 HB2 GLU A 132 -9.434 -22.924 -9.044 1.00 5.66 H new ATOM 0 HB3 GLU A 132 -9.461 -24.553 -9.690 1.00 5.66 H new ATOM 0 HG2 GLU A 132 -11.734 -24.006 -9.356 1.00 6.91 H new ATOM 0 HG3 GLU A 132 -11.341 -25.054 -8.007 1.00 6.91 H new ATOM 2080 N TYR A 133 -6.567 -23.115 -7.828 1.00 2.62 N ATOM 2081 CA TYR A 133 -5.254 -22.699 -8.343 1.00 2.20 C ATOM 2082 C TYR A 133 -4.519 -21.636 -7.496 1.00 2.27 C ATOM 2083 O TYR A 133 -5.099 -21.063 -6.574 1.00 2.60 O ATOM 2084 CB TYR A 133 -5.381 -22.267 -9.821 1.00 2.15 C ATOM 2085 CG TYR A 133 -6.002 -20.903 -10.070 1.00 2.51 C ATOM 2086 CD1 TYR A 133 -7.398 -20.729 -10.155 1.00 3.23 C ATOM 2087 CD2 TYR A 133 -5.157 -19.799 -10.270 1.00 3.34 C ATOM 2088 CE1 TYR A 133 -7.941 -19.460 -10.449 1.00 3.68 C ATOM 2089 CE2 TYR A 133 -5.694 -18.531 -10.550 1.00 4.11 C ATOM 2090 CZ TYR A 133 -7.085 -18.355 -10.656 1.00 3.91 C ATOM 2091 OH TYR A 133 -7.560 -17.127 -10.993 1.00 4.78 O ATOM 0 H TYR A 133 -6.943 -22.477 -7.126 1.00 2.62 H new ATOM 0 HA TYR A 133 -4.613 -23.578 -8.268 1.00 2.20 H new ATOM 0 HB2 TYR A 133 -4.387 -22.278 -10.268 1.00 2.15 H new ATOM 0 HB3 TYR A 133 -5.975 -23.015 -10.347 1.00 2.15 H new ATOM 0 HD1 TYR A 133 -8.055 -21.571 -9.994 1.00 3.23 H new ATOM 0 HD2 TYR A 133 -4.086 -19.926 -10.208 1.00 3.34 H new ATOM 0 HE1 TYR A 133 -9.011 -19.333 -10.516 1.00 3.68 H new ATOM 0 HE2 TYR A 133 -5.034 -17.687 -10.685 1.00 4.11 H new ATOM 0 HH TYR A 133 -8.485 -17.209 -11.306 1.00 4.78 H new ATOM 2101 N LEU A 134 -3.238 -21.375 -7.798 1.00 2.03 N ATOM 2102 CA LEU A 134 -2.411 -20.313 -7.192 1.00 2.09 C ATOM 2103 C LEU A 134 -2.181 -19.118 -8.135 1.00 2.19 C ATOM 2104 O LEU A 134 -1.981 -19.287 -9.336 1.00 2.07 O ATOM 2105 CB LEU A 134 -1.057 -20.897 -6.743 1.00 2.18 C ATOM 2106 CG LEU A 134 -1.123 -21.694 -5.427 1.00 2.51 C ATOM 2107 CD1 LEU A 134 0.178 -22.478 -5.214 1.00 2.66 C ATOM 2108 CD2 LEU A 134 -1.358 -20.783 -4.209 1.00 3.96 C ATOM 0 H LEU A 134 -2.728 -21.916 -8.496 1.00 2.03 H new ATOM 0 HA LEU A 134 -2.961 -19.934 -6.331 1.00 2.09 H new ATOM 0 HB2 LEU A 134 -0.674 -21.547 -7.530 1.00 2.18 H new ATOM 0 HB3 LEU A 134 -0.342 -20.082 -6.627 1.00 2.18 H new ATOM 0 HG LEU A 134 -1.967 -22.378 -5.514 1.00 2.51 H new ATOM 0 HD11 LEU A 134 0.117 -23.037 -4.280 1.00 2.66 H new ATOM 0 HD12 LEU A 134 0.325 -23.171 -6.042 1.00 2.66 H new ATOM 0 HD13 LEU A 134 1.017 -21.784 -5.168 1.00 2.66 H new ATOM 0 HD21 LEU A 134 -1.397 -21.389 -3.304 1.00 3.96 H new ATOM 0 HD22 LEU A 134 -0.542 -20.064 -4.129 1.00 3.96 H new ATOM 0 HD23 LEU A 134 -2.301 -20.250 -4.330 1.00 3.96 H new ATOM 2120 N VAL A 135 -2.164 -17.922 -7.551 1.00 2.15 N ATOM 2121 CA VAL A 135 -1.840 -16.638 -8.191 1.00 1.98 C ATOM 2122 C VAL A 135 -1.113 -15.747 -7.189 1.00 2.19 C ATOM 2123 O VAL A 135 -1.620 -15.521 -6.091 1.00 2.96 O ATOM 2124 CB VAL A 135 -3.067 -15.934 -8.817 1.00 2.77 C ATOM 2125 CG1 VAL A 135 -4.234 -15.699 -7.842 1.00 3.18 C ATOM 2126 CG2 VAL A 135 -2.670 -14.609 -9.496 1.00 3.28 C ATOM 0 H VAL A 135 -2.388 -17.811 -6.562 1.00 2.15 H new ATOM 0 HA VAL A 135 -1.181 -16.842 -9.035 1.00 1.98 H new ATOM 0 HB VAL A 135 -3.434 -16.634 -9.567 1.00 2.77 H new ATOM 0 HG11 VAL A 135 -5.050 -15.201 -8.365 1.00 3.18 H new ATOM 0 HG12 VAL A 135 -4.582 -16.656 -7.454 1.00 3.18 H new ATOM 0 HG13 VAL A 135 -3.897 -15.073 -7.016 1.00 3.18 H new ATOM 0 HG21 VAL A 135 -3.556 -14.141 -9.925 1.00 3.28 H new ATOM 0 HG22 VAL A 135 -2.227 -13.940 -8.758 1.00 3.28 H new ATOM 0 HG23 VAL A 135 -1.946 -14.808 -10.286 1.00 3.28 H new ATOM 2136 N ASP A 136 0.089 -15.305 -7.541 1.00 1.44 N ATOM 2137 CA ASP A 136 1.060 -14.737 -6.602 1.00 1.73 C ATOM 2138 C ASP A 136 1.722 -13.477 -7.184 1.00 1.20 C ATOM 2139 O ASP A 136 1.759 -13.277 -8.398 1.00 1.14 O ATOM 2140 CB ASP A 136 2.057 -15.837 -6.193 1.00 2.62 C ATOM 2141 CG ASP A 136 1.400 -16.830 -5.222 1.00 4.53 C ATOM 2142 OD1 ASP A 136 0.620 -17.720 -5.636 1.00 5.41 O ATOM 2143 OD2 ASP A 136 1.566 -16.644 -3.995 1.00 5.66 O ATOM 0 H ASP A 136 0.426 -15.330 -8.503 1.00 1.44 H new ATOM 0 HA ASP A 136 0.560 -14.397 -5.695 1.00 1.73 H new ATOM 0 HB2 ASP A 136 2.408 -16.365 -7.080 1.00 2.62 H new ATOM 0 HB3 ASP A 136 2.932 -15.386 -5.724 1.00 2.62 H new ATOM 2148 N HIS A 137 2.184 -12.581 -6.313 1.00 0.89 N ATOM 2149 CA HIS A 137 2.412 -11.166 -6.616 1.00 0.78 C ATOM 2150 C HIS A 137 3.694 -10.624 -5.961 1.00 1.03 C ATOM 2151 O HIS A 137 4.175 -11.184 -4.970 1.00 1.15 O ATOM 2152 CB HIS A 137 1.195 -10.370 -6.106 1.00 1.22 C ATOM 2153 CG HIS A 137 1.069 -10.335 -4.596 1.00 1.59 C ATOM 2154 ND1 HIS A 137 1.603 -9.380 -3.757 1.00 2.67 N ATOM 2155 CD2 HIS A 137 0.415 -11.238 -3.796 1.00 1.83 C ATOM 2156 CE1 HIS A 137 1.297 -9.714 -2.494 1.00 2.96 C ATOM 2157 NE2 HIS A 137 0.558 -10.837 -2.459 1.00 2.39 N ATOM 0 H HIS A 137 2.417 -12.825 -5.350 1.00 0.89 H new ATOM 0 HA HIS A 137 2.537 -11.058 -7.693 1.00 0.78 H new ATOM 0 HB2 HIS A 137 1.261 -9.348 -6.478 1.00 1.22 H new ATOM 0 HB3 HIS A 137 0.288 -10.805 -6.526 1.00 1.22 H new ATOM 0 HD1 HIS A 137 2.138 -8.561 -4.046 1.00 2.67 H new ATOM 0 HD2 HIS A 137 -0.120 -12.111 -4.138 1.00 1.83 H new ATOM 0 HE1 HIS A 137 1.603 -9.155 -1.622 1.00 2.96 H new ATOM 2166 N THR A 138 4.204 -9.477 -6.446 1.00 0.67 N ATOM 2167 CA THR A 138 5.238 -8.736 -5.711 1.00 0.75 C ATOM 2168 C THR A 138 4.644 -8.132 -4.439 1.00 1.11 C ATOM 2169 O THR A 138 3.627 -7.439 -4.475 1.00 1.93 O ATOM 2170 CB THR A 138 5.964 -7.722 -6.608 1.00 1.06 C ATOM 2171 OG1 THR A 138 7.252 -7.547 -6.070 1.00 2.85 O ATOM 2172 CG2 THR A 138 5.324 -6.349 -6.739 1.00 1.36 C ATOM 0 H THR A 138 3.921 -9.051 -7.329 1.00 0.67 H new ATOM 0 HA THR A 138 6.018 -9.429 -5.394 1.00 0.75 H new ATOM 0 HB THR A 138 5.939 -8.142 -7.614 1.00 1.06 H new ATOM 0 HG1 THR A 138 7.245 -6.793 -5.444 1.00 2.85 H new ATOM 0 HG21 THR A 138 5.930 -5.726 -7.397 1.00 1.36 H new ATOM 0 HG22 THR A 138 4.323 -6.453 -7.158 1.00 1.36 H new ATOM 0 HG23 THR A 138 5.259 -5.882 -5.756 1.00 1.36 H new ATOM 2180 N ALA A 139 5.250 -8.419 -3.289 1.00 0.85 N ATOM 2181 CA ALA A 139 4.875 -7.823 -2.004 1.00 0.78 C ATOM 2182 C ALA A 139 5.681 -6.531 -1.823 1.00 0.89 C ATOM 2183 O ALA A 139 6.874 -6.573 -1.512 1.00 1.47 O ATOM 2184 CB ALA A 139 5.119 -8.861 -0.896 1.00 1.00 C ATOM 0 H ALA A 139 6.024 -9.079 -3.220 1.00 0.85 H new ATOM 0 HA ALA A 139 3.819 -7.554 -1.961 1.00 0.78 H new ATOM 0 HB1 ALA A 139 4.845 -8.434 0.069 1.00 1.00 H new ATOM 0 HB2 ALA A 139 4.512 -9.746 -1.087 1.00 1.00 H new ATOM 0 HB3 ALA A 139 6.173 -9.139 -0.884 1.00 1.00 H new ATOM 2190 N THR A 140 5.086 -5.374 -2.134 1.00 0.76 N ATOM 2191 CA THR A 140 5.831 -4.105 -2.247 1.00 0.62 C ATOM 2192 C THR A 140 4.996 -2.932 -1.740 1.00 0.78 C ATOM 2193 O THR A 140 3.777 -2.912 -1.928 1.00 1.07 O ATOM 2194 CB THR A 140 6.341 -3.918 -3.688 1.00 0.61 C ATOM 2195 OG1 THR A 140 7.116 -5.050 -4.024 1.00 0.99 O ATOM 2196 CG2 THR A 140 7.251 -2.702 -3.867 1.00 0.62 C ATOM 0 H THR A 140 4.086 -5.285 -2.314 1.00 0.76 H new ATOM 0 HA THR A 140 6.710 -4.142 -1.604 1.00 0.62 H new ATOM 0 HB THR A 140 5.461 -3.780 -4.317 1.00 0.61 H new ATOM 0 HG1 THR A 140 7.556 -4.901 -4.887 1.00 0.99 H new ATOM 0 HG21 THR A 140 7.570 -2.636 -4.907 1.00 0.62 H new ATOM 0 HG22 THR A 140 6.707 -1.797 -3.597 1.00 0.62 H new ATOM 0 HG23 THR A 140 8.126 -2.805 -3.225 1.00 0.62 H new ATOM 2204 N THR A 141 5.670 -1.960 -1.115 1.00 0.58 N ATOM 2205 CA THR A 141 5.100 -0.699 -0.631 1.00 0.59 C ATOM 2206 C THR A 141 5.616 0.453 -1.490 1.00 0.89 C ATOM 2207 O THR A 141 6.807 0.525 -1.809 1.00 0.93 O ATOM 2208 CB THR A 141 5.430 -0.459 0.849 1.00 0.69 C ATOM 2209 OG1 THR A 141 5.269 -1.643 1.590 1.00 1.04 O ATOM 2210 CG2 THR A 141 4.526 0.592 1.490 1.00 1.18 C ATOM 0 H THR A 141 6.669 -2.034 -0.925 1.00 0.58 H new ATOM 0 HA THR A 141 4.015 -0.757 -0.713 1.00 0.59 H new ATOM 0 HB THR A 141 6.463 -0.111 0.868 1.00 0.69 H new ATOM 0 HG1 THR A 141 5.485 -1.472 2.531 1.00 1.04 H new ATOM 0 HG21 THR A 141 4.804 0.721 2.536 1.00 1.18 H new ATOM 0 HG22 THR A 141 4.640 1.540 0.964 1.00 1.18 H new ATOM 0 HG23 THR A 141 3.488 0.266 1.428 1.00 1.18 H new ATOM 2218 N PHE A 142 4.709 1.360 -1.846 1.00 0.57 N ATOM 2219 CA PHE A 142 4.940 2.469 -2.768 1.00 0.55 C ATOM 2220 C PHE A 142 4.561 3.800 -2.111 1.00 1.81 C ATOM 2221 O PHE A 142 3.437 3.958 -1.625 1.00 2.15 O ATOM 2222 CB PHE A 142 4.097 2.234 -4.030 1.00 0.54 C ATOM 2223 CG PHE A 142 4.460 0.974 -4.791 1.00 0.69 C ATOM 2224 CD1 PHE A 142 3.862 -0.255 -4.450 1.00 2.05 C ATOM 2225 CD2 PHE A 142 5.407 1.020 -5.827 1.00 2.09 C ATOM 2226 CE1 PHE A 142 4.213 -1.425 -5.145 1.00 1.93 C ATOM 2227 CE2 PHE A 142 5.763 -0.152 -6.517 1.00 2.10 C ATOM 2228 CZ PHE A 142 5.166 -1.376 -6.176 1.00 0.79 C ATOM 0 H PHE A 142 3.755 1.341 -1.485 1.00 0.57 H new ATOM 0 HA PHE A 142 5.996 2.517 -3.032 1.00 0.55 H new ATOM 0 HB2 PHE A 142 3.045 2.185 -3.748 1.00 0.54 H new ATOM 0 HB3 PHE A 142 4.209 3.091 -4.694 1.00 0.54 H new ATOM 0 HD1 PHE A 142 3.133 -0.298 -3.654 1.00 2.05 H new ATOM 0 HD2 PHE A 142 5.864 1.961 -6.095 1.00 2.09 H new ATOM 0 HE1 PHE A 142 3.749 -2.365 -4.886 1.00 1.93 H new ATOM 0 HE2 PHE A 142 6.496 -0.111 -7.309 1.00 2.10 H new ATOM 0 HZ PHE A 142 5.439 -2.277 -6.705 1.00 0.79 H new ATOM 2238 N VAL A 143 5.476 4.771 -2.113 1.00 0.56 N ATOM 2239 CA VAL A 143 5.272 6.060 -1.427 1.00 0.58 C ATOM 2240 C VAL A 143 5.022 7.164 -2.442 1.00 0.83 C ATOM 2241 O VAL A 143 5.887 7.488 -3.262 1.00 1.02 O ATOM 2242 CB VAL A 143 6.470 6.425 -0.539 1.00 0.65 C ATOM 2243 CG1 VAL A 143 6.321 7.804 0.123 1.00 0.91 C ATOM 2244 CG2 VAL A 143 6.656 5.376 0.564 1.00 0.91 C ATOM 0 H VAL A 143 6.376 4.693 -2.586 1.00 0.56 H new ATOM 0 HA VAL A 143 4.398 5.956 -0.784 1.00 0.58 H new ATOM 0 HB VAL A 143 7.339 6.453 -1.196 1.00 0.65 H new ATOM 0 HG11 VAL A 143 7.197 8.009 0.739 1.00 0.91 H new ATOM 0 HG12 VAL A 143 6.232 8.570 -0.648 1.00 0.91 H new ATOM 0 HG13 VAL A 143 5.428 7.813 0.748 1.00 0.91 H new ATOM 0 HG21 VAL A 143 7.509 5.649 1.185 1.00 0.91 H new ATOM 0 HG22 VAL A 143 5.758 5.332 1.180 1.00 0.91 H new ATOM 0 HG23 VAL A 143 6.834 4.400 0.112 1.00 0.91 H new ATOM 2254 N VAL A 144 3.826 7.741 -2.362 1.00 0.56 N ATOM 2255 CA VAL A 144 3.362 8.814 -3.250 1.00 0.60 C ATOM 2256 C VAL A 144 3.205 10.130 -2.484 1.00 1.07 C ATOM 2257 O VAL A 144 2.639 10.171 -1.389 1.00 1.07 O ATOM 2258 CB VAL A 144 2.051 8.420 -3.967 1.00 0.63 C ATOM 2259 CG1 VAL A 144 1.405 9.575 -4.753 1.00 1.61 C ATOM 2260 CG2 VAL A 144 2.324 7.263 -4.940 1.00 1.64 C ATOM 0 H VAL A 144 3.133 7.472 -1.663 1.00 0.56 H new ATOM 0 HA VAL A 144 4.121 8.965 -4.017 1.00 0.60 H new ATOM 0 HB VAL A 144 1.352 8.129 -3.183 1.00 0.63 H new ATOM 0 HG11 VAL A 144 0.490 9.224 -5.229 1.00 1.61 H new ATOM 0 HG12 VAL A 144 1.169 10.392 -4.071 1.00 1.61 H new ATOM 0 HG13 VAL A 144 2.098 9.928 -5.516 1.00 1.61 H new ATOM 0 HG21 VAL A 144 1.399 6.986 -5.445 1.00 1.64 H new ATOM 0 HG22 VAL A 144 3.061 7.576 -5.679 1.00 1.64 H new ATOM 0 HG23 VAL A 144 2.706 6.405 -4.387 1.00 1.64 H new ATOM 2270 N LYS A 145 3.682 11.207 -3.117 1.00 0.80 N ATOM 2271 CA LYS A 145 3.534 12.610 -2.711 1.00 1.00 C ATOM 2272 C LYS A 145 2.972 13.404 -3.904 1.00 1.06 C ATOM 2273 O LYS A 145 3.408 13.157 -5.025 1.00 1.26 O ATOM 2274 CB LYS A 145 4.928 13.151 -2.341 1.00 1.41 C ATOM 2275 CG LYS A 145 4.897 14.325 -1.352 1.00 1.59 C ATOM 2276 CD LYS A 145 4.728 13.808 0.079 1.00 1.67 C ATOM 2277 CE LYS A 145 4.990 14.889 1.132 1.00 1.98 C ATOM 2278 NZ LYS A 145 3.914 15.884 1.319 1.00 2.00 N ATOM 0 H LYS A 145 4.216 11.117 -3.982 1.00 0.80 H new ATOM 0 HA LYS A 145 2.861 12.703 -1.859 1.00 1.00 H new ATOM 0 HB2 LYS A 145 5.519 12.342 -1.911 1.00 1.41 H new ATOM 0 HB3 LYS A 145 5.437 13.469 -3.251 1.00 1.41 H new ATOM 0 HG2 LYS A 145 5.819 14.901 -1.432 1.00 1.59 H new ATOM 0 HG3 LYS A 145 4.077 14.999 -1.602 1.00 1.59 H new ATOM 0 HD2 LYS A 145 3.716 13.422 0.204 1.00 1.67 H new ATOM 0 HD3 LYS A 145 5.410 12.974 0.243 1.00 1.67 H new ATOM 0 HE2 LYS A 145 5.176 14.400 2.088 1.00 1.98 H new ATOM 0 HE3 LYS A 145 5.904 15.418 0.862 1.00 1.98 H new ATOM 0 HZ1 LYS A 145 4.233 16.810 0.969 1.00 2.00 H new ATOM 0 HZ2 LYS A 145 3.070 15.586 0.790 1.00 2.00 H new ATOM 0 HZ3 LYS A 145 3.681 15.957 2.330 1.00 2.00 H new ATOM 2292 N GLU A 146 1.980 14.282 -3.721 1.00 0.89 N ATOM 2293 CA GLU A 146 1.414 15.176 -4.763 1.00 0.91 C ATOM 2294 C GLU A 146 0.581 14.446 -5.844 1.00 1.24 C ATOM 2295 O GLU A 146 -0.183 15.085 -6.560 1.00 1.88 O ATOM 2296 CB GLU A 146 2.510 15.973 -5.512 1.00 1.11 C ATOM 2297 CG GLU A 146 3.577 16.668 -4.650 1.00 1.60 C ATOM 2298 CD GLU A 146 4.802 16.963 -5.512 1.00 1.92 C ATOM 2299 OE1 GLU A 146 5.676 16.080 -5.628 1.00 2.65 O ATOM 2300 OE2 GLU A 146 4.839 18.027 -6.163 1.00 2.29 O ATOM 0 H GLU A 146 1.526 14.402 -2.815 1.00 0.89 H new ATOM 0 HA GLU A 146 0.762 15.838 -4.194 1.00 0.91 H new ATOM 0 HB2 GLU A 146 3.017 15.292 -6.196 1.00 1.11 H new ATOM 0 HB3 GLU A 146 2.020 16.732 -6.123 1.00 1.11 H new ATOM 0 HG2 GLU A 146 3.179 17.593 -4.233 1.00 1.60 H new ATOM 0 HG3 GLU A 146 3.853 16.032 -3.809 1.00 1.60 H new ATOM 2307 N GLY A 147 0.755 13.126 -6.011 1.00 0.95 N ATOM 2308 CA GLY A 147 0.389 12.379 -7.223 1.00 1.00 C ATOM 2309 C GLY A 147 1.584 11.848 -8.034 1.00 1.03 C ATOM 2310 O GLY A 147 1.381 11.401 -9.160 1.00 1.09 O ATOM 0 H GLY A 147 1.165 12.534 -5.288 1.00 0.95 H new ATOM 0 HA2 GLY A 147 -0.243 11.537 -6.938 1.00 1.00 H new ATOM 0 HA3 GLY A 147 -0.210 13.025 -7.865 1.00 1.00 H new ATOM 2314 N ARG A 148 2.816 11.858 -7.498 1.00 0.93 N ATOM 2315 CA ARG A 148 3.995 11.193 -8.082 1.00 0.86 C ATOM 2316 C ARG A 148 4.729 10.279 -7.087 1.00 1.12 C ATOM 2317 O ARG A 148 4.731 10.504 -5.878 1.00 1.31 O ATOM 2318 CB ARG A 148 4.961 12.192 -8.752 1.00 0.99 C ATOM 2319 CG ARG A 148 5.203 13.512 -8.026 1.00 1.36 C ATOM 2320 CD ARG A 148 6.180 14.351 -8.855 1.00 1.53 C ATOM 2321 NE ARG A 148 6.310 15.705 -8.308 1.00 1.93 N ATOM 2322 CZ ARG A 148 6.692 16.813 -8.919 1.00 2.67 C ATOM 2323 NH1 ARG A 148 7.207 16.811 -10.133 1.00 3.56 N ATOM 2324 NH2 ARG A 148 6.550 17.956 -8.295 1.00 3.04 N ATOM 0 H ARG A 148 3.026 12.341 -6.624 1.00 0.93 H new ATOM 0 HA ARG A 148 3.604 10.544 -8.866 1.00 0.86 H new ATOM 0 HB2 ARG A 148 5.923 11.697 -8.885 1.00 0.99 H new ATOM 0 HB3 ARG A 148 4.579 12.418 -9.748 1.00 0.99 H new ATOM 0 HG2 ARG A 148 4.263 14.048 -7.891 1.00 1.36 H new ATOM 0 HG3 ARG A 148 5.611 13.328 -7.032 1.00 1.36 H new ATOM 0 HD2 ARG A 148 7.156 13.867 -8.871 1.00 1.53 H new ATOM 0 HD3 ARG A 148 5.833 14.404 -9.887 1.00 1.53 H new ATOM 0 HE ARG A 148 6.073 15.806 -7.321 1.00 1.93 H new ATOM 0 HH11 ARG A 148 7.323 15.931 -10.636 1.00 3.56 H new ATOM 0 HH12 ARG A 148 7.489 17.689 -10.569 1.00 3.56 H new ATOM 0 HH21 ARG A 148 6.151 17.979 -7.356 1.00 3.04 H new ATOM 0 HH22 ARG A 148 6.838 18.823 -8.748 1.00 3.04 H new ATOM 2338 N LEU A 149 5.329 9.208 -7.609 1.00 0.73 N ATOM 2339 CA LEU A 149 6.087 8.216 -6.834 1.00 0.68 C ATOM 2340 C LEU A 149 7.399 8.853 -6.349 1.00 1.02 C ATOM 2341 O LEU A 149 8.095 9.447 -7.167 1.00 1.33 O ATOM 2342 CB LEU A 149 6.383 6.981 -7.725 1.00 0.83 C ATOM 2343 CG LEU A 149 5.915 5.605 -7.209 1.00 0.76 C ATOM 2344 CD1 LEU A 149 6.576 4.506 -8.051 1.00 2.03 C ATOM 2345 CD2 LEU A 149 6.243 5.347 -5.733 1.00 2.01 C ATOM 0 H LEU A 149 5.302 8.998 -8.607 1.00 0.73 H new ATOM 0 HA LEU A 149 5.506 7.893 -5.970 1.00 0.68 H new ATOM 0 HB2 LEU A 149 5.923 7.150 -8.699 1.00 0.83 H new ATOM 0 HB3 LEU A 149 7.460 6.932 -7.886 1.00 0.83 H new ATOM 0 HG LEU A 149 4.829 5.596 -7.299 1.00 0.76 H new ATOM 0 HD11 LEU A 149 6.251 3.529 -7.694 1.00 2.03 H new ATOM 0 HD12 LEU A 149 6.287 4.625 -9.095 1.00 2.03 H new ATOM 0 HD13 LEU A 149 7.660 4.583 -7.963 1.00 2.03 H new ATOM 0 HD21 LEU A 149 5.881 4.359 -5.447 1.00 2.01 H new ATOM 0 HD22 LEU A 149 7.322 5.395 -5.586 1.00 2.01 H new ATOM 0 HD23 LEU A 149 5.759 6.103 -5.115 1.00 2.01 H new ATOM 2357 N VAL A 150 7.760 8.697 -5.070 1.00 0.70 N ATOM 2358 CA VAL A 150 9.006 9.278 -4.501 1.00 0.79 C ATOM 2359 C VAL A 150 9.869 8.296 -3.687 1.00 1.08 C ATOM 2360 O VAL A 150 11.034 8.594 -3.406 1.00 1.27 O ATOM 2361 CB VAL A 150 8.734 10.561 -3.670 1.00 0.95 C ATOM 2362 CG1 VAL A 150 8.063 11.654 -4.515 1.00 1.61 C ATOM 2363 CG2 VAL A 150 7.885 10.319 -2.407 1.00 1.21 C ATOM 0 H VAL A 150 7.208 8.169 -4.394 1.00 0.70 H new ATOM 0 HA VAL A 150 9.591 9.539 -5.383 1.00 0.79 H new ATOM 0 HB VAL A 150 9.721 10.891 -3.347 1.00 0.95 H new ATOM 0 HG11 VAL A 150 7.889 12.536 -3.898 1.00 1.61 H new ATOM 0 HG12 VAL A 150 8.712 11.918 -5.350 1.00 1.61 H new ATOM 0 HG13 VAL A 150 7.111 11.285 -4.897 1.00 1.61 H new ATOM 0 HG21 VAL A 150 7.739 11.262 -1.881 1.00 1.21 H new ATOM 0 HG22 VAL A 150 6.916 9.909 -2.693 1.00 1.21 H new ATOM 0 HG23 VAL A 150 8.399 9.614 -1.753 1.00 1.21 H new ATOM 2373 N LEU A 151 9.347 7.113 -3.331 1.00 0.66 N ATOM 2374 CA LEU A 151 10.014 6.183 -2.405 1.00 0.68 C ATOM 2375 C LEU A 151 9.437 4.756 -2.502 1.00 1.07 C ATOM 2376 O LEU A 151 8.237 4.584 -2.732 1.00 1.21 O ATOM 2377 CB LEU A 151 9.922 6.762 -0.968 1.00 0.65 C ATOM 2378 CG LEU A 151 11.269 7.174 -0.365 1.00 0.95 C ATOM 2379 CD1 LEU A 151 11.092 8.091 0.843 1.00 1.17 C ATOM 2380 CD2 LEU A 151 12.030 5.910 0.025 1.00 0.92 C ATOM 0 H LEU A 151 8.450 6.773 -3.677 1.00 0.66 H new ATOM 0 HA LEU A 151 11.064 6.089 -2.682 1.00 0.68 H new ATOM 0 HB2 LEU A 151 9.262 7.630 -0.980 1.00 0.65 H new ATOM 0 HB3 LEU A 151 9.459 6.019 -0.319 1.00 0.65 H new ATOM 0 HG LEU A 151 11.833 7.738 -1.107 1.00 0.95 H new ATOM 0 HD11 LEU A 151 12.070 8.361 1.242 1.00 1.17 H new ATOM 0 HD12 LEU A 151 10.562 8.994 0.540 1.00 1.17 H new ATOM 0 HD13 LEU A 151 10.517 7.574 1.611 1.00 1.17 H new ATOM 0 HD21 LEU A 151 12.993 6.184 0.457 1.00 0.92 H new ATOM 0 HD22 LEU A 151 11.451 5.348 0.757 1.00 0.92 H new ATOM 0 HD23 LEU A 151 12.191 5.295 -0.860 1.00 0.92 H new ATOM 2392 N LEU A 152 10.298 3.742 -2.327 1.00 0.82 N ATOM 2393 CA LEU A 152 9.968 2.311 -2.473 1.00 0.72 C ATOM 2394 C LEU A 152 10.528 1.441 -1.333 1.00 1.20 C ATOM 2395 O LEU A 152 11.578 1.740 -0.749 1.00 1.29 O ATOM 2396 CB LEU A 152 10.496 1.781 -3.824 1.00 0.68 C ATOM 2397 CG LEU A 152 9.963 2.471 -5.093 1.00 0.80 C ATOM 2398 CD1 LEU A 152 10.718 1.924 -6.313 1.00 0.88 C ATOM 2399 CD2 LEU A 152 8.463 2.222 -5.279 1.00 1.02 C ATOM 0 H LEU A 152 11.273 3.897 -2.072 1.00 0.82 H new ATOM 0 HA LEU A 152 8.881 2.239 -2.432 1.00 0.72 H new ATOM 0 HB2 LEU A 152 11.583 1.866 -3.822 1.00 0.68 H new ATOM 0 HB3 LEU A 152 10.259 0.719 -3.889 1.00 0.68 H new ATOM 0 HG LEU A 152 10.120 3.545 -4.991 1.00 0.80 H new ATOM 0 HD11 LEU A 152 10.347 2.407 -7.217 1.00 0.88 H new ATOM 0 HD12 LEU A 152 11.783 2.128 -6.203 1.00 0.88 H new ATOM 0 HD13 LEU A 152 10.560 0.848 -6.386 1.00 0.88 H new ATOM 0 HD21 LEU A 152 8.120 2.723 -6.184 1.00 1.02 H new ATOM 0 HD22 LEU A 152 8.280 1.151 -5.366 1.00 1.02 H new ATOM 0 HD23 LEU A 152 7.920 2.614 -4.419 1.00 1.02 H new ATOM 2411 N TYR A 153 9.825 0.337 -1.054 1.00 0.78 N ATOM 2412 CA TYR A 153 10.006 -0.533 0.115 1.00 0.73 C ATOM 2413 C TYR A 153 9.592 -2.003 -0.145 1.00 1.20 C ATOM 2414 O TYR A 153 8.504 -2.293 -0.634 1.00 1.46 O ATOM 2415 CB TYR A 153 9.153 0.034 1.266 1.00 0.66 C ATOM 2416 CG TYR A 153 9.879 0.872 2.298 1.00 1.03 C ATOM 2417 CD1 TYR A 153 10.016 2.260 2.118 1.00 1.56 C ATOM 2418 CD2 TYR A 153 10.329 0.268 3.485 1.00 2.60 C ATOM 2419 CE1 TYR A 153 10.591 3.049 3.131 1.00 1.58 C ATOM 2420 CE2 TYR A 153 10.920 1.048 4.495 1.00 2.90 C ATOM 2421 CZ TYR A 153 11.047 2.442 4.324 1.00 1.68 C ATOM 2422 OH TYR A 153 11.593 3.196 5.312 1.00 2.13 O ATOM 0 H TYR A 153 9.078 0.010 -1.667 1.00 0.78 H new ATOM 0 HA TYR A 153 11.068 -0.546 0.359 1.00 0.73 H new ATOM 0 HB2 TYR A 153 8.357 0.640 0.834 1.00 0.66 H new ATOM 0 HB3 TYR A 153 8.675 -0.800 1.779 1.00 0.66 H new ATOM 0 HD1 TYR A 153 9.679 2.721 1.201 1.00 1.56 H new ATOM 0 HD2 TYR A 153 10.221 -0.798 3.622 1.00 2.60 H new ATOM 0 HE1 TYR A 153 10.684 4.117 2.998 1.00 1.58 H new ATOM 0 HE2 TYR A 153 11.276 0.580 5.401 1.00 2.90 H new ATOM 0 HH TYR A 153 11.851 2.618 6.060 1.00 2.13 H new ATOM 2432 N SER A 154 10.439 -2.947 0.270 1.00 1.00 N ATOM 2433 CA SER A 154 10.061 -4.344 0.538 1.00 0.92 C ATOM 2434 C SER A 154 9.442 -4.467 1.953 1.00 1.02 C ATOM 2435 O SER A 154 9.691 -3.573 2.777 1.00 1.15 O ATOM 2436 CB SER A 154 11.315 -5.242 0.466 1.00 1.20 C ATOM 2437 OG SER A 154 12.351 -4.764 -0.384 1.00 1.53 O ATOM 0 H SER A 154 11.429 -2.762 0.434 1.00 1.00 H new ATOM 0 HA SER A 154 9.331 -4.658 -0.208 1.00 0.92 H new ATOM 0 HB2 SER A 154 11.717 -5.360 1.472 1.00 1.20 H new ATOM 0 HB3 SER A 154 11.014 -6.233 0.125 1.00 1.20 H new ATOM 0 HG SER A 154 13.103 -5.392 -0.367 1.00 1.53 H new ATOM 2443 N PRO A 155 8.725 -5.562 2.288 1.00 0.77 N ATOM 2444 CA PRO A 155 8.320 -5.849 3.665 1.00 0.92 C ATOM 2445 C PRO A 155 9.541 -5.991 4.582 1.00 1.14 C ATOM 2446 O PRO A 155 9.533 -5.461 5.689 1.00 1.11 O ATOM 2447 CB PRO A 155 7.485 -7.134 3.598 1.00 1.12 C ATOM 2448 CG PRO A 155 7.977 -7.824 2.329 1.00 1.02 C ATOM 2449 CD PRO A 155 8.304 -6.647 1.412 1.00 0.85 C ATOM 0 HA PRO A 155 7.734 -5.035 4.093 1.00 0.92 H new ATOM 0 HB2 PRO A 155 7.640 -7.758 4.478 1.00 1.12 H new ATOM 0 HB3 PRO A 155 6.418 -6.915 3.546 1.00 1.12 H new ATOM 0 HG2 PRO A 155 8.853 -8.445 2.519 1.00 1.02 H new ATOM 0 HG3 PRO A 155 7.214 -8.473 1.899 1.00 1.02 H new ATOM 0 HD2 PRO A 155 9.093 -6.909 0.707 1.00 0.85 H new ATOM 0 HD3 PRO A 155 7.434 -6.358 0.823 1.00 0.85 H new ATOM 2457 N ASP A 156 10.629 -6.588 4.083 1.00 0.87 N ATOM 2458 CA ASP A 156 11.936 -6.753 4.742 1.00 1.01 C ATOM 2459 C ASP A 156 12.509 -5.451 5.320 1.00 1.25 C ATOM 2460 O ASP A 156 13.226 -5.417 6.321 1.00 1.72 O ATOM 2461 CB ASP A 156 12.940 -7.319 3.711 1.00 1.13 C ATOM 2462 CG ASP A 156 12.343 -8.328 2.718 1.00 2.11 C ATOM 2463 OD1 ASP A 156 11.599 -7.861 1.818 1.00 3.01 O ATOM 2464 OD2 ASP A 156 12.647 -9.531 2.852 1.00 3.38 O ATOM 0 H ASP A 156 10.623 -6.996 3.148 1.00 0.87 H new ATOM 0 HA ASP A 156 11.782 -7.430 5.582 1.00 1.01 H new ATOM 0 HB2 ASP A 156 13.370 -6.489 3.150 1.00 1.13 H new ATOM 0 HB3 ASP A 156 13.758 -7.799 4.247 1.00 1.13 H new ATOM 2469 N LYS A 157 12.171 -4.354 4.653 1.00 0.94 N ATOM 2470 CA LYS A 157 12.504 -3.000 5.037 1.00 0.97 C ATOM 2471 C LYS A 157 11.404 -2.344 5.896 1.00 1.32 C ATOM 2472 O LYS A 157 11.726 -1.550 6.775 1.00 1.34 O ATOM 2473 CB LYS A 157 12.774 -2.219 3.744 1.00 0.99 C ATOM 2474 CG LYS A 157 13.951 -2.806 2.932 1.00 1.37 C ATOM 2475 CD LYS A 157 14.218 -2.062 1.618 1.00 2.02 C ATOM 2476 CE LYS A 157 14.279 -0.569 1.925 1.00 3.56 C ATOM 2477 NZ LYS A 157 14.976 0.232 0.890 1.00 5.36 N ATOM 0 H LYS A 157 11.631 -4.393 3.789 1.00 0.94 H new ATOM 0 HA LYS A 157 13.389 -2.998 5.673 1.00 0.97 H new ATOM 0 HB2 LYS A 157 11.875 -2.221 3.128 1.00 0.99 H new ATOM 0 HB3 LYS A 157 12.989 -1.179 3.990 1.00 0.99 H new ATOM 0 HG2 LYS A 157 14.853 -2.781 3.544 1.00 1.37 H new ATOM 0 HG3 LYS A 157 13.744 -3.853 2.712 1.00 1.37 H new ATOM 0 HD2 LYS A 157 15.155 -2.398 1.173 1.00 2.02 H new ATOM 0 HD3 LYS A 157 13.429 -2.270 0.895 1.00 2.02 H new ATOM 0 HE2 LYS A 157 13.263 -0.190 2.040 1.00 3.56 H new ATOM 0 HE3 LYS A 157 14.783 -0.425 2.881 1.00 3.56 H new ATOM 0 HZ1 LYS A 157 15.232 1.160 1.283 1.00 5.36 H new ATOM 0 HZ2 LYS A 157 15.838 -0.266 0.588 1.00 5.36 H new ATOM 0 HZ3 LYS A 157 14.348 0.365 0.072 1.00 5.36 H new ATOM 2491 N ALA A 158 10.128 -2.651 5.631 1.00 0.96 N ATOM 2492 CA ALA A 158 8.955 -2.024 6.250 1.00 0.95 C ATOM 2493 C ALA A 158 8.693 -2.477 7.698 1.00 1.21 C ATOM 2494 O ALA A 158 8.292 -1.647 8.512 1.00 1.21 O ATOM 2495 CB ALA A 158 7.744 -2.299 5.354 1.00 0.93 C ATOM 0 H ALA A 158 9.875 -3.371 4.954 1.00 0.96 H new ATOM 0 HA ALA A 158 9.147 -0.954 6.329 1.00 0.95 H new ATOM 0 HB1 ALA A 158 6.856 -1.843 5.792 1.00 0.93 H new ATOM 0 HB2 ALA A 158 7.919 -1.875 4.365 1.00 0.93 H new ATOM 0 HB3 ALA A 158 7.593 -3.375 5.266 1.00 0.93 H new ATOM 2501 N GLU A 159 8.985 -3.743 8.031 1.00 0.93 N ATOM 2502 CA GLU A 159 8.806 -4.294 9.385 1.00 0.96 C ATOM 2503 C GLU A 159 9.534 -3.459 10.460 1.00 1.26 C ATOM 2504 O GLU A 159 9.078 -3.328 11.598 1.00 1.41 O ATOM 2505 CB GLU A 159 9.311 -5.749 9.427 1.00 1.03 C ATOM 2506 CG GLU A 159 8.451 -6.757 8.645 1.00 1.39 C ATOM 2507 CD GLU A 159 7.006 -6.859 9.129 1.00 1.98 C ATOM 2508 OE1 GLU A 159 6.728 -6.410 10.260 1.00 3.26 O ATOM 2509 OE2 GLU A 159 6.172 -7.326 8.323 1.00 2.62 O ATOM 0 H GLU A 159 9.355 -4.420 7.364 1.00 0.93 H new ATOM 0 HA GLU A 159 7.740 -4.260 9.611 1.00 0.96 H new ATOM 0 HB2 GLU A 159 10.327 -5.777 9.032 1.00 1.03 H new ATOM 0 HB3 GLU A 159 9.364 -6.070 10.467 1.00 1.03 H new ATOM 0 HG2 GLU A 159 8.450 -6.476 7.592 1.00 1.39 H new ATOM 0 HG3 GLU A 159 8.915 -7.741 8.712 1.00 1.39 H new ATOM 2516 N ALA A 160 10.652 -2.828 10.086 1.00 1.04 N ATOM 2517 CA ALA A 160 11.342 -1.840 10.913 1.00 1.05 C ATOM 2518 C ALA A 160 10.515 -0.542 11.073 1.00 1.21 C ATOM 2519 O ALA A 160 10.824 0.489 10.463 1.00 1.16 O ATOM 2520 CB ALA A 160 12.749 -1.622 10.340 1.00 1.09 C ATOM 0 H ALA A 160 11.107 -2.993 9.188 1.00 1.04 H new ATOM 0 HA ALA A 160 11.451 -2.212 11.932 1.00 1.05 H new ATOM 0 HB1 ALA A 160 13.279 -0.887 10.946 1.00 1.09 H new ATOM 0 HB2 ALA A 160 13.297 -2.564 10.352 1.00 1.09 H new ATOM 0 HB3 ALA A 160 12.672 -1.260 9.315 1.00 1.09 H new ATOM 2526 N THR A 161 9.500 -0.577 11.946 1.00 1.06 N ATOM 2527 CA THR A 161 8.587 0.540 12.284 1.00 1.08 C ATOM 2528 C THR A 161 9.299 1.888 12.355 1.00 1.16 C ATOM 2529 O THR A 161 8.981 2.791 11.591 1.00 1.31 O ATOM 2530 CB THR A 161 7.877 0.227 13.606 1.00 1.15 C ATOM 2531 OG1 THR A 161 6.930 -0.789 13.366 1.00 1.24 O ATOM 2532 CG2 THR A 161 7.117 1.416 14.200 1.00 1.25 C ATOM 0 H THR A 161 9.276 -1.425 12.466 1.00 1.06 H new ATOM 0 HA THR A 161 7.856 0.628 11.480 1.00 1.08 H new ATOM 0 HB THR A 161 8.653 -0.059 14.316 1.00 1.15 H new ATOM 0 HG1 THR A 161 6.465 -1.006 14.201 1.00 1.24 H new ATOM 0 HG21 THR A 161 6.642 1.115 15.134 1.00 1.25 H new ATOM 0 HG22 THR A 161 7.813 2.232 14.394 1.00 1.25 H new ATOM 0 HG23 THR A 161 6.354 1.749 13.496 1.00 1.25 H new ATOM 2540 N ASP A 162 10.276 2.045 13.245 1.00 1.12 N ATOM 2541 CA ASP A 162 10.949 3.329 13.446 1.00 1.14 C ATOM 2542 C ASP A 162 11.913 3.723 12.309 1.00 1.36 C ATOM 2543 O ASP A 162 12.168 4.910 12.109 1.00 1.42 O ATOM 2544 CB ASP A 162 11.553 3.358 14.851 1.00 1.31 C ATOM 2545 CG ASP A 162 10.411 3.327 15.879 1.00 2.08 C ATOM 2546 OD1 ASP A 162 9.859 4.414 16.182 1.00 2.94 O ATOM 2547 OD2 ASP A 162 10.056 2.214 16.323 1.00 2.96 O ATOM 0 H ASP A 162 10.622 1.295 13.843 1.00 1.12 H new ATOM 0 HA ASP A 162 10.208 4.126 13.388 1.00 1.14 H new ATOM 0 HB2 ASP A 162 12.215 2.504 14.996 1.00 1.31 H new ATOM 0 HB3 ASP A 162 12.157 4.255 14.984 1.00 1.31 H new ATOM 2552 N ARG A 163 12.354 2.771 11.471 1.00 1.25 N ATOM 2553 CA ARG A 163 12.892 3.097 10.146 1.00 1.29 C ATOM 2554 C ARG A 163 11.815 3.687 9.230 1.00 1.37 C ATOM 2555 O ARG A 163 12.084 4.702 8.597 1.00 1.56 O ATOM 2556 CB ARG A 163 13.508 1.871 9.463 1.00 1.35 C ATOM 2557 CG ARG A 163 14.725 1.272 10.172 1.00 1.52 C ATOM 2558 CD ARG A 163 15.881 2.262 10.206 1.00 1.45 C ATOM 2559 NE ARG A 163 17.143 1.583 10.549 1.00 1.76 N ATOM 2560 CZ ARG A 163 18.352 1.811 10.044 1.00 2.67 C ATOM 2561 NH1 ARG A 163 18.588 2.722 9.124 1.00 3.76 N ATOM 2562 NH2 ARG A 163 19.372 1.099 10.480 1.00 3.30 N ATOM 0 H ARG A 163 12.348 1.775 11.689 1.00 1.25 H new ATOM 0 HA ARG A 163 13.672 3.841 10.310 1.00 1.29 H new ATOM 0 HB2 ARG A 163 12.742 1.100 9.377 1.00 1.35 H new ATOM 0 HB3 ARG A 163 13.798 2.147 8.449 1.00 1.35 H new ATOM 0 HG2 ARG A 163 14.454 0.989 11.189 1.00 1.52 H new ATOM 0 HG3 ARG A 163 15.037 0.362 9.660 1.00 1.52 H new ATOM 0 HD2 ARG A 163 15.977 2.749 9.236 1.00 1.45 H new ATOM 0 HD3 ARG A 163 15.674 3.044 10.936 1.00 1.45 H new ATOM 0 HE ARG A 163 17.082 0.852 11.257 1.00 1.76 H new ATOM 0 HH11 ARG A 163 17.824 3.294 8.765 1.00 3.76 H new ATOM 0 HH12 ARG A 163 19.535 2.856 8.770 1.00 3.76 H new ATOM 0 HH21 ARG A 163 19.228 0.385 11.194 1.00 3.30 H new ATOM 0 HH22 ARG A 163 20.306 1.262 10.103 1.00 3.30 H new ATOM 2576 N VAL A 164 10.606 3.119 9.196 1.00 1.17 N ATOM 2577 CA VAL A 164 9.491 3.682 8.414 1.00 1.11 C ATOM 2578 C VAL A 164 9.085 5.064 8.946 1.00 1.26 C ATOM 2579 O VAL A 164 8.922 5.967 8.132 1.00 1.30 O ATOM 2580 CB VAL A 164 8.285 2.719 8.332 1.00 1.04 C ATOM 2581 CG1 VAL A 164 7.066 3.333 7.626 1.00 1.03 C ATOM 2582 CG2 VAL A 164 8.685 1.453 7.559 1.00 1.15 C ATOM 0 H VAL A 164 10.370 2.266 9.702 1.00 1.17 H new ATOM 0 HA VAL A 164 9.848 3.812 7.392 1.00 1.11 H new ATOM 0 HB VAL A 164 8.005 2.494 9.361 1.00 1.04 H new ATOM 0 HG11 VAL A 164 6.255 2.605 7.602 1.00 1.03 H new ATOM 0 HG12 VAL A 164 6.741 4.221 8.168 1.00 1.03 H new ATOM 0 HG13 VAL A 164 7.336 3.608 6.607 1.00 1.03 H new ATOM 0 HG21 VAL A 164 7.832 0.776 7.503 1.00 1.15 H new ATOM 0 HG22 VAL A 164 8.998 1.726 6.551 1.00 1.15 H new ATOM 0 HG23 VAL A 164 9.508 0.958 8.073 1.00 1.15 H new ATOM 2592 N VAL A 165 9.003 5.260 10.271 1.00 1.13 N ATOM 2593 CA VAL A 165 8.748 6.589 10.873 1.00 1.13 C ATOM 2594 C VAL A 165 9.713 7.639 10.316 1.00 1.27 C ATOM 2595 O VAL A 165 9.257 8.663 9.813 1.00 1.36 O ATOM 2596 CB VAL A 165 8.845 6.592 12.418 1.00 1.13 C ATOM 2597 CG1 VAL A 165 8.752 8.009 13.031 1.00 1.14 C ATOM 2598 CG2 VAL A 165 7.729 5.743 13.036 1.00 1.41 C ATOM 0 H VAL A 165 9.110 4.511 10.956 1.00 1.13 H new ATOM 0 HA VAL A 165 7.722 6.838 10.603 1.00 1.13 H new ATOM 0 HB VAL A 165 9.826 6.177 12.647 1.00 1.13 H new ATOM 0 HG11 VAL A 165 8.827 7.942 14.116 1.00 1.14 H new ATOM 0 HG12 VAL A 165 9.566 8.625 12.649 1.00 1.14 H new ATOM 0 HG13 VAL A 165 7.798 8.461 12.760 1.00 1.14 H new ATOM 0 HG21 VAL A 165 7.818 5.760 14.122 1.00 1.41 H new ATOM 0 HG22 VAL A 165 6.760 6.148 12.745 1.00 1.41 H new ATOM 0 HG23 VAL A 165 7.814 4.716 12.681 1.00 1.41 H new ATOM 2608 N ALA A 166 11.029 7.411 10.391 1.00 1.16 N ATOM 2609 CA ALA A 166 12.016 8.405 9.964 1.00 1.18 C ATOM 2610 C ALA A 166 11.947 8.704 8.453 1.00 1.28 C ATOM 2611 O ALA A 166 12.003 9.865 8.051 1.00 1.37 O ATOM 2612 CB ALA A 166 13.394 7.910 10.411 1.00 1.20 C ATOM 0 H ALA A 166 11.434 6.544 10.744 1.00 1.16 H new ATOM 0 HA ALA A 166 11.801 9.364 10.435 1.00 1.18 H new ATOM 0 HB1 ALA A 166 14.155 8.629 10.108 1.00 1.20 H new ATOM 0 HB2 ALA A 166 13.408 7.803 11.496 1.00 1.20 H new ATOM 0 HB3 ALA A 166 13.602 6.945 9.948 1.00 1.20 H new ATOM 2618 N ASP A 167 11.757 7.677 7.622 1.00 1.19 N ATOM 2619 CA ASP A 167 11.649 7.823 6.167 1.00 1.24 C ATOM 2620 C ASP A 167 10.350 8.542 5.738 1.00 1.46 C ATOM 2621 O ASP A 167 10.389 9.334 4.801 1.00 1.49 O ATOM 2622 CB ASP A 167 11.777 6.430 5.533 1.00 1.36 C ATOM 2623 CG ASP A 167 12.613 6.406 4.252 1.00 1.45 C ATOM 2624 OD1 ASP A 167 13.859 6.504 4.345 1.00 2.39 O ATOM 2625 OD2 ASP A 167 12.030 6.129 3.187 1.00 2.04 O ATOM 0 H ASP A 167 11.673 6.712 7.942 1.00 1.19 H new ATOM 0 HA ASP A 167 12.456 8.462 5.810 1.00 1.24 H new ATOM 0 HB2 ASP A 167 12.223 5.751 6.259 1.00 1.36 H new ATOM 0 HB3 ASP A 167 10.780 6.049 5.312 1.00 1.36 H new ATOM 2630 N LEU A 168 9.230 8.332 6.454 1.00 1.20 N ATOM 2631 CA LEU A 168 7.969 9.073 6.267 1.00 1.23 C ATOM 2632 C LEU A 168 8.053 10.525 6.753 1.00 1.48 C ATOM 2633 O LEU A 168 7.495 11.425 6.129 1.00 1.60 O ATOM 2634 CB LEU A 168 6.821 8.374 7.026 1.00 1.27 C ATOM 2635 CG LEU A 168 6.305 7.053 6.428 1.00 1.43 C ATOM 2636 CD1 LEU A 168 5.216 6.496 7.361 1.00 1.91 C ATOM 2637 CD2 LEU A 168 5.731 7.227 5.015 1.00 1.58 C ATOM 0 H LEU A 168 9.175 7.630 7.192 1.00 1.20 H new ATOM 0 HA LEU A 168 7.778 9.083 5.194 1.00 1.23 H new ATOM 0 HB2 LEU A 168 7.155 8.179 8.045 1.00 1.27 H new ATOM 0 HB3 LEU A 168 5.983 9.068 7.092 1.00 1.27 H new ATOM 0 HG LEU A 168 7.147 6.366 6.344 1.00 1.43 H new ATOM 0 HD11 LEU A 168 4.835 5.558 6.956 1.00 1.91 H new ATOM 0 HD12 LEU A 168 5.639 6.319 8.350 1.00 1.91 H new ATOM 0 HD13 LEU A 168 4.401 7.215 7.439 1.00 1.91 H new ATOM 0 HD21 LEU A 168 5.382 6.264 4.643 1.00 1.58 H new ATOM 0 HD22 LEU A 168 4.897 7.928 5.045 1.00 1.58 H new ATOM 0 HD23 LEU A 168 6.506 7.613 4.353 1.00 1.58 H new ATOM 2649 N GLN A 169 8.732 10.746 7.880 1.00 1.26 N ATOM 2650 CA GLN A 169 8.899 12.053 8.529 1.00 1.41 C ATOM 2651 C GLN A 169 9.626 13.067 7.639 1.00 1.57 C ATOM 2652 O GLN A 169 9.382 14.266 7.748 1.00 1.71 O ATOM 2653 CB GLN A 169 9.668 11.844 9.845 1.00 1.47 C ATOM 2654 CG GLN A 169 8.752 11.414 11.006 1.00 1.70 C ATOM 2655 CD GLN A 169 8.099 12.598 11.711 1.00 2.03 C ATOM 2656 OE1 GLN A 169 6.890 12.771 11.727 1.00 3.02 O ATOM 2657 NE2 GLN A 169 8.878 13.443 12.352 1.00 2.09 N ATOM 0 H GLN A 169 9.199 9.994 8.387 1.00 1.26 H new ATOM 0 HA GLN A 169 7.911 12.471 8.721 1.00 1.41 H new ATOM 0 HB2 GLN A 169 10.438 11.087 9.695 1.00 1.47 H new ATOM 0 HB3 GLN A 169 10.179 12.769 10.114 1.00 1.47 H new ATOM 0 HG2 GLN A 169 7.976 10.751 10.624 1.00 1.70 H new ATOM 0 HG3 GLN A 169 9.333 10.842 11.729 1.00 1.70 H new ATOM 0 HE21 GLN A 169 9.889 13.309 12.346 1.00 2.09 H new ATOM 0 HE22 GLN A 169 8.471 14.232 12.855 1.00 2.09 H new ATOM 2666 N ALA A 170 10.484 12.587 6.739 1.00 1.37 N ATOM 2667 CA ALA A 170 11.171 13.383 5.727 1.00 1.46 C ATOM 2668 C ALA A 170 10.281 13.908 4.588 1.00 1.55 C ATOM 2669 O ALA A 170 10.717 14.776 3.829 1.00 1.74 O ATOM 2670 CB ALA A 170 12.228 12.468 5.136 1.00 1.47 C ATOM 0 H ALA A 170 10.727 11.597 6.695 1.00 1.37 H new ATOM 0 HA ALA A 170 11.563 14.278 6.211 1.00 1.46 H new ATOM 0 HB1 ALA A 170 12.784 13.004 4.366 1.00 1.47 H new ATOM 0 HB2 ALA A 170 12.913 12.148 5.921 1.00 1.47 H new ATOM 0 HB3 ALA A 170 11.748 11.594 4.695 1.00 1.47 H new ATOM 2676 N LEU A 171 9.099 13.309 4.399 1.00 1.32 N ATOM 2677 CA LEU A 171 8.179 13.615 3.303 1.00 1.35 C ATOM 2678 C LEU A 171 7.342 14.857 3.612 1.00 1.78 C ATOM 2679 O LEU A 171 7.108 15.657 2.714 1.00 2.32 O ATOM 2680 CB LEU A 171 7.226 12.424 3.089 1.00 1.66 C ATOM 2681 CG LEU A 171 7.891 11.063 2.827 1.00 1.85 C ATOM 2682 CD1 LEU A 171 6.813 9.976 2.798 1.00 2.40 C ATOM 2683 CD2 LEU A 171 8.655 11.061 1.499 1.00 1.92 C ATOM 0 H LEU A 171 8.750 12.580 5.021 1.00 1.32 H new ATOM 0 HA LEU A 171 8.771 13.803 2.408 1.00 1.35 H new ATOM 0 HB2 LEU A 171 6.590 12.331 3.969 1.00 1.66 H new ATOM 0 HB3 LEU A 171 6.573 12.654 2.247 1.00 1.66 H new ATOM 0 HG LEU A 171 8.605 10.868 3.627 1.00 1.85 H new ATOM 0 HD11 LEU A 171 7.278 9.008 2.613 1.00 2.40 H new ATOM 0 HD12 LEU A 171 6.295 9.952 3.757 1.00 2.40 H new ATOM 0 HD13 LEU A 171 6.098 10.193 2.004 1.00 2.40 H new ATOM 0 HD21 LEU A 171 9.113 10.084 1.344 1.00 1.92 H new ATOM 0 HD22 LEU A 171 7.965 11.272 0.682 1.00 1.92 H new ATOM 0 HD23 LEU A 171 9.431 11.826 1.525 1.00 1.92 H new ATOM 2695 N LEU A 172 6.853 14.935 4.853 1.00 1.37 N ATOM 2696 CA LEU A 172 5.711 15.721 5.366 1.00 1.45 C ATOM 2697 C LEU A 172 4.907 16.618 4.395 1.00 1.67 C ATOM 2698 O LEU A 172 3.752 16.244 4.077 1.00 2.19 O ATOM 2699 CB LEU A 172 6.212 16.407 6.661 1.00 1.72 C ATOM 2700 CG LEU A 172 5.623 15.874 7.973 1.00 1.92 C ATOM 2701 CD1 LEU A 172 4.158 16.284 8.103 1.00 2.90 C ATOM 2702 CD2 LEU A 172 5.724 14.358 8.138 1.00 2.01 C ATOM 2703 OXT LEU A 172 5.289 17.754 4.054 1.00 2.33 O ATOM 0 H LEU A 172 7.286 14.398 5.604 1.00 1.37 H new ATOM 0 HA LEU A 172 4.895 15.026 5.562 1.00 1.45 H new ATOM 0 HB2 LEU A 172 7.297 16.308 6.705 1.00 1.72 H new ATOM 0 HB3 LEU A 172 5.992 17.472 6.593 1.00 1.72 H new ATOM 0 HG LEU A 172 6.229 16.321 8.761 1.00 1.92 H new ATOM 0 HD11 LEU A 172 3.754 15.898 9.039 1.00 2.90 H new ATOM 0 HD12 LEU A 172 4.082 17.371 8.096 1.00 2.90 H new ATOM 0 HD13 LEU A 172 3.590 15.875 7.267 1.00 2.90 H new ATOM 0 HD21 LEU A 172 5.284 14.066 9.092 1.00 2.01 H new ATOM 0 HD22 LEU A 172 5.188 13.867 7.326 1.00 2.01 H new ATOM 0 HD23 LEU A 172 6.772 14.058 8.114 1.00 2.01 H new TER 2715 LEU A 172