USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1085 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 117 THR OG1 : rot -6:sc= -1.1 USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= -6.7! C(o=-12!,f=-7.8!) USER MOD Set 2.1: A 88 SER OG : rot 72:sc= -3.05! USER MOD Set 2.2: A 89 HIS : no HD1:sc= -2.64! C(o=-6.8!,f=-17!) USER MOD Set 2.3: A 142 CYS SG : rot 53:sc= -1.14 USER MOD Single : A 61 GLN : amide:sc= -0.99! C(o=-0.99!,f=-7.6!) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.0906 USER MOD Single : A 73 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.39) USER MOD Single : A 79 MET CE :methyl -147:sc= -0.134 (180deg=-0.798) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -150:sc= -0.1 (180deg=-0.804) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -0.123 (180deg=-0.609) USER MOD Single : A 102 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-6!) USER MOD Single : A 103 SER OG : rot -140:sc= 0.131 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 107 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.024 X(o=-0.024,f=-0.14) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.2) USER MOD Single : A 126 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.3!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -130:sc= -0.0238 USER MOD Single : A 135 TYR OH : rot 146:sc= 0.211 USER MOD Single : A 138 THR OG1 : rot -121:sc= 1.34 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 162:sc= -3.9! (180deg=-4.75!) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 ASN : amide:sc=-0.00711 K(o=-0.0071,f=-1.2) USER MOD Single : A 158 LYS NZ :NH3+ 150:sc= -0.361 (180deg=-1.64!) USER MOD Single : A 187 SER OG : rot -93:sc= 0.977 USER MOD Single : A 192 HIS :FLIP no HD1:sc= -0.0346 F(o=-0.8,f=-0.035) USER MOD Single : A 193 HIS : no HD1:sc= -0.415 K(o=-0.41,f=-1) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 199 HIS : no HE2:sc= -0.286! C(o=-0.29!,f=-4.6!) USER MOD Single : A 202 TYR OH : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 56 8.027 16.081 1.322 1.00 4.61 N ATOM 2 CA ALA A 56 8.529 15.020 0.404 1.00 3.98 C ATOM 3 C ALA A 56 7.408 14.593 -0.544 1.00 3.15 C ATOM 4 O ALA A 56 6.662 15.410 -1.046 1.00 3.23 O ATOM 5 CB ALA A 56 8.991 13.814 1.225 1.00 4.70 C ATOM 0 HA ALA A 56 9.366 15.407 -0.176 1.00 3.98 H new ATOM 0 HB1 ALA A 56 9.359 13.037 0.555 1.00 4.70 H new ATOM 0 HB2 ALA A 56 9.790 14.118 1.901 1.00 4.70 H new ATOM 0 HB3 ALA A 56 8.154 13.426 1.805 1.00 4.70 H new ATOM 11 N TRP A 57 7.280 13.318 -0.795 1.00 2.75 N ATOM 12 CA TRP A 57 6.203 12.849 -1.711 1.00 2.31 C ATOM 13 C TRP A 57 4.850 13.013 -1.018 1.00 1.71 C ATOM 14 O TRP A 57 3.830 13.180 -1.656 1.00 2.05 O ATOM 15 CB TRP A 57 6.430 11.374 -2.063 1.00 2.59 C ATOM 16 CG TRP A 57 6.267 10.527 -0.840 1.00 2.15 C ATOM 17 CD1 TRP A 57 7.149 10.459 0.183 1.00 2.38 C ATOM 18 CD2 TRP A 57 5.172 9.626 -0.498 1.00 1.56 C ATOM 19 NE1 TRP A 57 6.665 9.575 1.133 1.00 2.03 N ATOM 20 CE2 TRP A 57 5.451 9.036 0.758 1.00 1.45 C ATOM 21 CE3 TRP A 57 3.977 9.267 -1.149 1.00 1.38 C ATOM 22 CZ2 TRP A 57 4.576 8.124 1.346 1.00 1.05 C ATOM 23 CZ3 TRP A 57 3.095 8.348 -0.557 1.00 1.05 C ATOM 24 CH2 TRP A 57 3.394 7.779 0.688 1.00 0.77 C ATOM 0 H TRP A 57 7.872 12.584 -0.407 1.00 2.75 H new ATOM 0 HA TRP A 57 6.218 13.439 -2.627 1.00 2.31 H new ATOM 0 HB2 TRP A 57 5.721 11.061 -2.830 1.00 2.59 H new ATOM 0 HB3 TRP A 57 7.429 11.240 -2.478 1.00 2.59 H new ATOM 0 HD1 TRP A 57 8.079 11.005 0.248 1.00 2.38 H new ATOM 0 HE1 TRP A 57 7.147 9.350 2.003 1.00 2.03 H new ATOM 0 HE3 TRP A 57 3.737 9.700 -2.109 1.00 1.38 H new ATOM 0 HZ2 TRP A 57 4.811 7.687 2.305 1.00 1.05 H new ATOM 0 HZ3 TRP A 57 2.181 8.078 -1.065 1.00 1.05 H new ATOM 0 HH2 TRP A 57 2.711 7.074 1.138 1.00 0.77 H new ATOM 35 N LEU A 58 4.837 12.980 0.287 1.00 1.60 N ATOM 36 CA LEU A 58 3.554 13.148 1.023 1.00 1.99 C ATOM 37 C LEU A 58 3.235 14.641 1.109 1.00 2.51 C ATOM 38 O LEU A 58 2.093 15.050 1.038 1.00 3.09 O ATOM 39 CB LEU A 58 3.700 12.564 2.436 1.00 2.55 C ATOM 40 CG LEU A 58 2.408 12.772 3.243 1.00 2.63 C ATOM 41 CD1 LEU A 58 1.221 12.102 2.530 1.00 2.73 C ATOM 42 CD2 LEU A 58 2.587 12.155 4.634 1.00 3.22 C ATOM 0 H LEU A 58 5.660 12.844 0.874 1.00 1.60 H new ATOM 0 HA LEU A 58 2.749 12.628 0.504 1.00 1.99 H new ATOM 0 HB2 LEU A 58 3.929 11.500 2.374 1.00 2.55 H new ATOM 0 HB3 LEU A 58 4.536 13.041 2.948 1.00 2.55 H new ATOM 0 HG LEU A 58 2.205 13.839 3.331 1.00 2.63 H new ATOM 0 HD11 LEU A 58 0.312 12.257 3.112 1.00 2.73 H new ATOM 0 HD12 LEU A 58 1.097 12.540 1.540 1.00 2.73 H new ATOM 0 HD13 LEU A 58 1.411 11.033 2.432 1.00 2.73 H new ATOM 0 HD21 LEU A 58 1.676 12.297 5.215 1.00 3.22 H new ATOM 0 HD22 LEU A 58 2.792 11.089 4.536 1.00 3.22 H new ATOM 0 HD23 LEU A 58 3.421 12.639 5.142 1.00 3.22 H new ATOM 54 N GLU A 59 4.242 15.458 1.256 1.00 2.68 N ATOM 55 CA GLU A 59 4.012 16.923 1.341 1.00 3.25 C ATOM 56 C GLU A 59 3.749 17.472 -0.065 1.00 3.14 C ATOM 57 O GLU A 59 2.954 16.936 -0.812 1.00 3.52 O ATOM 58 CB GLU A 59 5.255 17.592 1.946 1.00 3.87 C ATOM 59 CG GLU A 59 4.882 18.955 2.538 1.00 4.68 C ATOM 60 CD GLU A 59 6.123 19.596 3.162 1.00 5.43 C ATOM 61 OE1 GLU A 59 6.907 18.870 3.750 1.00 5.81 O ATOM 62 OE2 GLU A 59 6.268 20.801 3.041 1.00 5.92 O ATOM 0 H GLU A 59 5.218 15.169 1.321 1.00 2.68 H new ATOM 0 HA GLU A 59 3.149 17.132 1.973 1.00 3.25 H new ATOM 0 HB2 GLU A 59 5.680 16.954 2.721 1.00 3.87 H new ATOM 0 HB3 GLU A 59 6.020 17.716 1.180 1.00 3.87 H new ATOM 0 HG2 GLU A 59 4.477 19.603 1.761 1.00 4.68 H new ATOM 0 HG3 GLU A 59 4.103 18.836 3.291 1.00 4.68 H new ATOM 69 N ALA A 60 4.414 18.531 -0.430 1.00 3.25 N ATOM 70 CA ALA A 60 4.209 19.112 -1.789 1.00 3.79 C ATOM 71 C ALA A 60 4.918 18.242 -2.829 1.00 3.93 C ATOM 72 O ALA A 60 6.053 17.846 -2.649 1.00 4.34 O ATOM 73 CB ALA A 60 4.782 20.529 -1.832 1.00 4.57 C ATOM 0 H ALA A 60 5.092 19.021 0.153 1.00 3.25 H new ATOM 0 HA ALA A 60 3.142 19.146 -2.011 1.00 3.79 H new ATOM 0 HB1 ALA A 60 4.632 20.952 -2.825 1.00 4.57 H new ATOM 0 HB2 ALA A 60 4.275 21.149 -1.093 1.00 4.57 H new ATOM 0 HB3 ALA A 60 5.848 20.497 -1.609 1.00 4.57 H new ATOM 79 N GLN A 61 4.264 17.946 -3.919 1.00 4.11 N ATOM 80 CA GLN A 61 4.909 17.108 -4.969 1.00 4.74 C ATOM 81 C GLN A 61 5.817 17.988 -5.830 1.00 4.98 C ATOM 82 O GLN A 61 6.428 17.529 -6.776 1.00 5.45 O ATOM 83 CB GLN A 61 3.833 16.470 -5.851 1.00 5.31 C ATOM 84 CG GLN A 61 2.895 15.621 -4.987 1.00 5.77 C ATOM 85 CD GLN A 61 1.942 16.536 -4.214 1.00 6.31 C ATOM 86 OE1 GLN A 61 1.796 17.697 -4.542 1.00 6.59 O ATOM 87 NE2 GLN A 61 1.284 16.059 -3.193 1.00 6.81 N ATOM 0 H GLN A 61 3.312 18.248 -4.128 1.00 4.11 H new ATOM 0 HA GLN A 61 5.499 16.323 -4.496 1.00 4.74 H new ATOM 0 HB2 GLN A 61 3.266 17.244 -6.368 1.00 5.31 H new ATOM 0 HB3 GLN A 61 4.298 15.850 -6.618 1.00 5.31 H new ATOM 0 HG2 GLN A 61 2.327 14.935 -5.615 1.00 5.77 H new ATOM 0 HG3 GLN A 61 3.475 15.013 -4.293 1.00 5.77 H new ATOM 0 HE21 GLN A 61 1.406 15.085 -2.918 1.00 6.81 H new ATOM 0 HE22 GLN A 61 0.647 16.661 -2.670 1.00 6.81 H new ATOM 96 N GLU A 62 5.910 19.251 -5.512 1.00 5.00 N ATOM 97 CA GLU A 62 6.775 20.160 -6.313 1.00 5.58 C ATOM 98 C GLU A 62 8.239 19.958 -5.916 1.00 5.55 C ATOM 99 O GLU A 62 9.062 19.566 -6.719 1.00 5.67 O ATOM 100 CB GLU A 62 6.374 21.613 -6.048 1.00 6.14 C ATOM 101 CG GLU A 62 7.014 22.519 -7.101 1.00 6.74 C ATOM 102 CD GLU A 62 6.581 23.966 -6.862 1.00 7.42 C ATOM 103 OE1 GLU A 62 5.486 24.161 -6.362 1.00 7.91 O ATOM 104 OE2 GLU A 62 7.352 24.855 -7.183 1.00 7.69 O ATOM 0 H GLU A 62 5.423 19.692 -4.731 1.00 5.00 H new ATOM 0 HA GLU A 62 6.651 19.934 -7.372 1.00 5.58 H new ATOM 0 HB2 GLU A 62 5.289 21.713 -6.078 1.00 6.14 H new ATOM 0 HB3 GLU A 62 6.695 21.914 -5.051 1.00 6.14 H new ATOM 0 HG2 GLU A 62 8.100 22.441 -7.052 1.00 6.74 H new ATOM 0 HG3 GLU A 62 6.716 22.200 -8.100 1.00 6.74 H new ATOM 111 N GLU A 63 8.572 20.224 -4.682 1.00 5.72 N ATOM 112 CA GLU A 63 9.983 20.049 -4.237 1.00 6.01 C ATOM 113 C GLU A 63 10.444 18.622 -4.539 1.00 5.97 C ATOM 114 O GLU A 63 9.669 17.783 -4.956 1.00 6.17 O ATOM 115 CB GLU A 63 10.083 20.311 -2.732 1.00 6.54 C ATOM 116 CG GLU A 63 9.027 19.483 -1.995 1.00 6.72 C ATOM 117 CD GLU A 63 9.271 19.573 -0.487 1.00 7.22 C ATOM 118 OE1 GLU A 63 9.299 20.679 0.023 1.00 7.44 O ATOM 119 OE2 GLU A 63 9.427 18.532 0.130 1.00 7.67 O ATOM 0 H GLU A 63 7.928 20.555 -3.964 1.00 5.72 H new ATOM 0 HA GLU A 63 10.619 20.755 -4.771 1.00 6.01 H new ATOM 0 HB2 GLU A 63 11.079 20.051 -2.373 1.00 6.54 H new ATOM 0 HB3 GLU A 63 9.937 21.371 -2.527 1.00 6.54 H new ATOM 0 HG2 GLU A 63 8.029 19.849 -2.235 1.00 6.72 H new ATOM 0 HG3 GLU A 63 9.072 18.444 -2.320 1.00 6.72 H new ATOM 126 N GLU A 64 11.702 18.339 -4.332 1.00 6.07 N ATOM 127 CA GLU A 64 12.223 16.967 -4.604 1.00 6.34 C ATOM 128 C GLU A 64 13.411 16.685 -3.681 1.00 6.12 C ATOM 129 O GLU A 64 14.430 17.343 -3.748 1.00 6.31 O ATOM 130 CB GLU A 64 12.678 16.877 -6.063 1.00 6.85 C ATOM 131 CG GLU A 64 12.868 15.408 -6.450 1.00 7.36 C ATOM 132 CD GLU A 64 13.590 15.325 -7.795 1.00 8.01 C ATOM 133 OE1 GLU A 64 13.186 16.028 -8.707 1.00 8.36 O ATOM 134 OE2 GLU A 64 14.535 14.560 -7.891 1.00 8.39 O ATOM 0 H GLU A 64 12.395 19.002 -3.985 1.00 6.07 H new ATOM 0 HA GLU A 64 11.437 16.234 -4.422 1.00 6.34 H new ATOM 0 HB2 GLU A 64 11.939 17.343 -6.715 1.00 6.85 H new ATOM 0 HB3 GLU A 64 13.612 17.423 -6.198 1.00 6.85 H new ATOM 0 HG2 GLU A 64 13.444 14.890 -5.683 1.00 7.36 H new ATOM 0 HG3 GLU A 64 11.901 14.909 -6.513 1.00 7.36 H new ATOM 141 N GLU A 65 13.288 15.714 -2.817 1.00 6.04 N ATOM 142 CA GLU A 65 14.410 15.396 -1.888 1.00 6.09 C ATOM 143 C GLU A 65 14.252 13.966 -1.367 1.00 5.38 C ATOM 144 O GLU A 65 13.625 13.730 -0.354 1.00 5.46 O ATOM 145 CB GLU A 65 14.386 16.375 -0.711 1.00 6.80 C ATOM 146 CG GLU A 65 15.670 16.229 0.106 1.00 7.45 C ATOM 147 CD GLU A 65 15.682 17.269 1.229 1.00 7.99 C ATOM 148 OE1 GLU A 65 14.672 17.929 1.407 1.00 8.49 O ATOM 149 OE2 GLU A 65 16.700 17.385 1.891 1.00 8.13 O ATOM 0 H GLU A 65 12.460 15.128 -2.714 1.00 6.04 H new ATOM 0 HA GLU A 65 15.359 15.485 -2.417 1.00 6.09 H new ATOM 0 HB2 GLU A 65 14.291 17.397 -1.077 1.00 6.80 H new ATOM 0 HB3 GLU A 65 13.518 16.180 -0.081 1.00 6.80 H new ATOM 0 HG2 GLU A 65 15.735 15.225 0.525 1.00 7.45 H new ATOM 0 HG3 GLU A 65 16.540 16.363 -0.537 1.00 7.45 H new ATOM 156 N VAL A 66 14.820 13.007 -2.051 1.00 4.95 N ATOM 157 CA VAL A 66 14.705 11.591 -1.592 1.00 4.48 C ATOM 158 C VAL A 66 15.741 11.332 -0.497 1.00 4.72 C ATOM 159 O VAL A 66 16.494 10.380 -0.549 1.00 5.03 O ATOM 160 CB VAL A 66 14.960 10.652 -2.773 1.00 4.18 C ATOM 161 CG1 VAL A 66 14.517 9.228 -2.416 1.00 3.90 C ATOM 162 CG2 VAL A 66 14.167 11.137 -3.989 1.00 4.35 C ATOM 0 H VAL A 66 15.358 13.143 -2.907 1.00 4.95 H new ATOM 0 HA VAL A 66 13.705 11.411 -1.197 1.00 4.48 H new ATOM 0 HB VAL A 66 16.025 10.650 -3.003 1.00 4.18 H new ATOM 0 HG11 VAL A 66 14.702 8.566 -3.262 1.00 3.90 H new ATOM 0 HG12 VAL A 66 15.081 8.878 -1.551 1.00 3.90 H new ATOM 0 HG13 VAL A 66 13.453 9.226 -2.180 1.00 3.90 H new ATOM 0 HG21 VAL A 66 14.348 10.469 -4.831 1.00 4.35 H new ATOM 0 HG22 VAL A 66 13.103 11.142 -3.751 1.00 4.35 H new ATOM 0 HG23 VAL A 66 14.485 12.146 -4.252 1.00 4.35 H new ATOM 172 N GLY A 67 15.787 12.175 0.494 1.00 4.94 N ATOM 173 CA GLY A 67 16.772 11.982 1.594 1.00 5.45 C ATOM 174 C GLY A 67 18.171 11.796 1.006 1.00 5.43 C ATOM 175 O GLY A 67 18.716 12.684 0.380 1.00 5.79 O ATOM 0 H GLY A 67 15.184 12.992 0.591 1.00 4.94 H new ATOM 0 HA2 GLY A 67 16.759 12.843 2.262 1.00 5.45 H new ATOM 0 HA3 GLY A 67 16.499 11.112 2.191 1.00 5.45 H new ATOM 179 N PHE A 68 18.763 10.647 1.204 1.00 5.26 N ATOM 180 CA PHE A 68 20.131 10.403 0.658 1.00 5.45 C ATOM 181 C PHE A 68 20.020 9.868 -0.785 1.00 4.79 C ATOM 182 O PHE A 68 19.231 8.981 -1.047 1.00 4.49 O ATOM 183 CB PHE A 68 20.835 9.359 1.528 1.00 6.13 C ATOM 184 CG PHE A 68 20.614 9.689 2.985 1.00 6.37 C ATOM 185 CD1 PHE A 68 19.434 9.286 3.622 1.00 6.59 C ATOM 186 CD2 PHE A 68 21.588 10.397 3.699 1.00 6.71 C ATOM 187 CE1 PHE A 68 19.228 9.590 4.973 1.00 7.13 C ATOM 188 CE2 PHE A 68 21.382 10.701 5.051 1.00 7.20 C ATOM 189 CZ PHE A 68 20.202 10.297 5.687 1.00 7.40 C ATOM 0 H PHE A 68 18.358 9.866 1.721 1.00 5.26 H new ATOM 0 HA PHE A 68 20.699 11.333 0.659 1.00 5.45 H new ATOM 0 HB2 PHE A 68 20.448 8.364 1.306 1.00 6.13 H new ATOM 0 HB3 PHE A 68 21.902 9.343 1.305 1.00 6.13 H new ATOM 0 HD1 PHE A 68 18.682 8.740 3.071 1.00 6.59 H new ATOM 0 HD2 PHE A 68 22.498 10.709 3.208 1.00 6.71 H new ATOM 0 HE1 PHE A 68 18.318 9.279 5.464 1.00 7.13 H new ATOM 0 HE2 PHE A 68 22.133 11.247 5.602 1.00 7.20 H new ATOM 0 HZ PHE A 68 20.043 10.531 6.729 1.00 7.40 H new ATOM 199 N PRO A 69 20.797 10.381 -1.720 1.00 4.86 N ATOM 200 CA PRO A 69 20.752 9.907 -3.134 1.00 4.45 C ATOM 201 C PRO A 69 20.600 8.383 -3.239 1.00 4.09 C ATOM 202 O PRO A 69 21.536 7.642 -3.014 1.00 4.61 O ATOM 203 CB PRO A 69 22.105 10.353 -3.694 1.00 5.21 C ATOM 204 CG PRO A 69 22.435 11.604 -2.943 1.00 5.88 C ATOM 205 CD PRO A 69 21.795 11.459 -1.552 1.00 5.67 C ATOM 0 HA PRO A 69 19.895 10.310 -3.674 1.00 4.45 H new ATOM 0 HB2 PRO A 69 22.867 9.588 -3.543 1.00 5.21 H new ATOM 0 HB3 PRO A 69 22.048 10.539 -4.767 1.00 5.21 H new ATOM 0 HG2 PRO A 69 23.514 11.735 -2.862 1.00 5.88 H new ATOM 0 HG3 PRO A 69 22.046 12.481 -3.460 1.00 5.88 H new ATOM 0 HD2 PRO A 69 22.538 11.200 -0.797 1.00 5.67 H new ATOM 0 HD3 PRO A 69 21.326 12.389 -1.231 1.00 5.67 H new ATOM 213 N VAL A 70 19.432 7.910 -3.583 1.00 3.53 N ATOM 214 CA VAL A 70 19.234 6.436 -3.704 1.00 3.48 C ATOM 215 C VAL A 70 19.725 5.971 -5.076 1.00 3.20 C ATOM 216 O VAL A 70 19.840 6.752 -6.000 1.00 3.15 O ATOM 217 CB VAL A 70 17.749 6.103 -3.555 1.00 3.52 C ATOM 218 CG1 VAL A 70 17.267 6.539 -2.171 1.00 4.19 C ATOM 219 CG2 VAL A 70 16.947 6.839 -4.630 1.00 3.47 C ATOM 0 H VAL A 70 18.609 8.478 -3.785 1.00 3.53 H new ATOM 0 HA VAL A 70 19.798 5.928 -2.921 1.00 3.48 H new ATOM 0 HB VAL A 70 17.605 5.029 -3.670 1.00 3.52 H new ATOM 0 HG11 VAL A 70 16.208 6.302 -2.063 1.00 4.19 H new ATOM 0 HG12 VAL A 70 17.836 6.013 -1.405 1.00 4.19 H new ATOM 0 HG13 VAL A 70 17.412 7.613 -2.057 1.00 4.19 H new ATOM 0 HG21 VAL A 70 15.889 6.600 -4.522 1.00 3.47 H new ATOM 0 HG22 VAL A 70 17.090 7.914 -4.518 1.00 3.47 H new ATOM 0 HG23 VAL A 70 17.290 6.528 -5.617 1.00 3.47 H new ATOM 229 N THR A 71 20.020 4.707 -5.217 1.00 3.33 N ATOM 230 CA THR A 71 20.511 4.196 -6.530 1.00 3.19 C ATOM 231 C THR A 71 19.308 3.844 -7.421 1.00 2.33 C ATOM 232 O THR A 71 18.259 3.483 -6.927 1.00 2.20 O ATOM 233 CB THR A 71 21.355 2.939 -6.297 1.00 3.92 C ATOM 234 OG1 THR A 71 20.700 2.100 -5.356 1.00 4.10 O ATOM 235 CG2 THR A 71 22.730 3.336 -5.758 1.00 4.65 C ATOM 0 H THR A 71 19.942 4.006 -4.480 1.00 3.33 H new ATOM 0 HA THR A 71 21.116 4.959 -7.019 1.00 3.19 H new ATOM 0 HB THR A 71 21.478 2.404 -7.239 1.00 3.92 H new ATOM 0 HG1 THR A 71 21.348 1.476 -4.967 1.00 4.10 H new ATOM 0 HG21 THR A 71 23.329 2.440 -5.593 1.00 4.65 H new ATOM 0 HG22 THR A 71 23.232 3.980 -6.480 1.00 4.65 H new ATOM 0 HG23 THR A 71 22.611 3.871 -4.816 1.00 4.65 H new ATOM 243 N PRO A 72 19.453 3.938 -8.724 1.00 2.04 N ATOM 244 CA PRO A 72 18.351 3.615 -9.682 1.00 1.36 C ATOM 245 C PRO A 72 18.103 2.105 -9.789 1.00 1.25 C ATOM 246 O PRO A 72 18.460 1.346 -8.916 1.00 1.81 O ATOM 247 CB PRO A 72 18.858 4.189 -11.013 1.00 1.84 C ATOM 248 CG PRO A 72 20.346 4.111 -10.909 1.00 2.59 C ATOM 249 CD PRO A 72 20.677 4.361 -9.436 1.00 2.69 C ATOM 0 HA PRO A 72 17.394 4.032 -9.369 1.00 1.36 H new ATOM 0 HB2 PRO A 72 18.488 3.612 -11.861 1.00 1.84 H new ATOM 0 HB3 PRO A 72 18.523 5.216 -11.156 1.00 1.84 H new ATOM 0 HG2 PRO A 72 20.709 3.135 -11.231 1.00 2.59 H new ATOM 0 HG3 PRO A 72 20.822 4.855 -11.548 1.00 2.59 H new ATOM 0 HD2 PRO A 72 21.545 3.784 -9.117 1.00 2.69 H new ATOM 0 HD3 PRO A 72 20.906 5.410 -9.250 1.00 2.69 H new ATOM 257 N GLN A 73 17.476 1.674 -10.851 1.00 1.10 N ATOM 258 CA GLN A 73 17.181 0.225 -11.023 1.00 1.44 C ATOM 259 C GLN A 73 18.395 -0.616 -10.625 1.00 1.16 C ATOM 260 O GLN A 73 19.293 -0.852 -11.408 1.00 1.32 O ATOM 261 CB GLN A 73 16.833 -0.051 -12.491 1.00 2.13 C ATOM 262 CG GLN A 73 15.931 1.065 -13.025 1.00 2.59 C ATOM 263 CD GLN A 73 15.356 0.648 -14.381 1.00 3.31 C ATOM 264 OE1 GLN A 73 14.329 1.147 -14.797 1.00 3.76 O ATOM 265 NE2 GLN A 73 15.981 -0.247 -15.095 1.00 3.98 N ATOM 0 H GLN A 73 17.153 2.271 -11.613 1.00 1.10 H new ATOM 0 HA GLN A 73 16.340 -0.043 -10.384 1.00 1.44 H new ATOM 0 HB2 GLN A 73 17.744 -0.111 -13.086 1.00 2.13 H new ATOM 0 HB3 GLN A 73 16.329 -1.013 -12.581 1.00 2.13 H new ATOM 0 HG2 GLN A 73 15.123 1.263 -12.320 1.00 2.59 H new ATOM 0 HG3 GLN A 73 16.499 1.990 -13.127 1.00 2.59 H new ATOM 0 HE21 GLN A 73 16.843 -0.666 -14.747 1.00 3.98 H new ATOM 0 HE22 GLN A 73 15.608 -0.528 -16.002 1.00 3.98 H new ATOM 274 N VAL A 74 18.403 -1.088 -9.413 1.00 1.04 N ATOM 275 CA VAL A 74 19.529 -1.948 -8.931 1.00 0.93 C ATOM 276 C VAL A 74 19.145 -3.413 -9.180 1.00 0.86 C ATOM 277 O VAL A 74 17.974 -3.740 -9.210 1.00 0.89 O ATOM 278 CB VAL A 74 19.732 -1.730 -7.423 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.395 -0.370 -7.150 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.370 -1.786 -6.729 1.00 1.38 C ATOM 0 H VAL A 74 17.671 -0.916 -8.724 1.00 1.04 H new ATOM 0 HA VAL A 74 20.450 -1.696 -9.457 1.00 0.93 H new ATOM 0 HB VAL A 74 20.386 -2.511 -7.036 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.528 -0.239 -6.076 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.366 -0.333 -7.643 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.761 0.428 -7.537 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.501 -1.633 -5.658 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.724 -1.005 -7.131 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.913 -2.760 -6.903 1.00 1.38 H new ATOM 290 N PRO A 75 20.104 -4.295 -9.351 1.00 0.93 N ATOM 291 CA PRO A 75 19.827 -5.738 -9.589 1.00 1.00 C ATOM 292 C PRO A 75 18.596 -6.232 -8.817 1.00 0.88 C ATOM 293 O PRO A 75 18.391 -5.888 -7.670 1.00 0.84 O ATOM 294 CB PRO A 75 21.104 -6.409 -9.089 1.00 1.18 C ATOM 295 CG PRO A 75 22.192 -5.431 -9.414 1.00 1.37 C ATOM 296 CD PRO A 75 21.557 -4.027 -9.345 1.00 1.13 C ATOM 0 HA PRO A 75 19.595 -5.957 -10.631 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.055 -6.608 -8.018 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.270 -7.366 -9.584 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.016 -5.519 -8.706 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.602 -5.623 -10.406 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.862 -3.494 -8.444 1.00 1.13 H new ATOM 0 HD3 PRO A 75 21.854 -3.412 -10.195 1.00 1.13 H new ATOM 304 N LEU A 76 17.767 -7.020 -9.447 1.00 0.86 N ATOM 305 CA LEU A 76 16.538 -7.519 -8.762 1.00 0.77 C ATOM 306 C LEU A 76 16.915 -8.393 -7.564 1.00 0.77 C ATOM 307 O LEU A 76 17.195 -9.567 -7.702 1.00 0.85 O ATOM 308 CB LEU A 76 15.706 -8.351 -9.745 1.00 0.84 C ATOM 309 CG LEU A 76 15.202 -7.470 -10.898 1.00 0.87 C ATOM 310 CD1 LEU A 76 14.588 -8.366 -11.980 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.139 -6.474 -10.390 1.00 0.76 C ATOM 0 H LEU A 76 17.887 -7.341 -10.408 1.00 0.86 H new ATOM 0 HA LEU A 76 15.960 -6.663 -8.414 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.309 -9.169 -10.140 1.00 0.84 H new ATOM 0 HB3 LEU A 76 14.860 -8.801 -9.226 1.00 0.84 H new ATOM 0 HG LEU A 76 16.039 -6.907 -11.309 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.228 -7.748 -12.803 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.343 -9.059 -12.351 1.00 1.01 H new ATOM 0 HD13 LEU A 76 13.756 -8.929 -11.557 1.00 1.01 H new ATOM 0 HD21 LEU A 76 13.792 -5.857 -11.219 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.297 -7.024 -9.970 1.00 0.76 H new ATOM 0 HD23 LEU A 76 14.576 -5.836 -9.622 1.00 0.76 H new ATOM 323 N ARG A 77 16.904 -7.834 -6.383 1.00 0.74 N ATOM 324 CA ARG A 77 17.241 -8.632 -5.169 1.00 0.79 C ATOM 325 C ARG A 77 15.971 -9.359 -4.674 1.00 0.71 C ATOM 326 O ARG A 77 14.955 -8.727 -4.468 1.00 0.73 O ATOM 327 CB ARG A 77 17.738 -7.692 -4.070 1.00 0.85 C ATOM 328 CG ARG A 77 18.270 -8.517 -2.895 1.00 1.19 C ATOM 329 CD ARG A 77 18.637 -7.584 -1.740 1.00 1.52 C ATOM 330 NE ARG A 77 19.172 -8.385 -0.605 1.00 2.13 N ATOM 331 CZ ARG A 77 19.817 -7.792 0.364 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.991 -6.500 0.333 1.00 2.73 N ATOM 333 NH2 ARG A 77 20.287 -8.492 1.360 1.00 3.61 N ATOM 0 H ARG A 77 16.675 -6.856 -6.207 1.00 0.74 H new ATOM 0 HA ARG A 77 18.016 -9.360 -5.410 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.524 -7.044 -4.459 1.00 0.85 H new ATOM 0 HB3 ARG A 77 16.927 -7.045 -3.736 1.00 0.85 H new ATOM 0 HG2 ARG A 77 17.517 -9.235 -2.571 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.144 -9.090 -3.205 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.380 -6.857 -2.068 1.00 1.52 H new ATOM 0 HD3 ARG A 77 17.760 -7.021 -1.420 1.00 1.52 H new ATOM 0 HE ARG A 77 19.035 -9.396 -0.584 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.624 -5.955 -0.447 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.494 -6.035 1.089 1.00 2.73 H new ATOM 0 HH21 ARG A 77 20.151 -9.503 1.382 1.00 3.61 H new ATOM 0 HH22 ARG A 77 20.791 -8.029 2.116 1.00 3.61 H new ATOM 347 N PRO A 78 16.005 -10.663 -4.471 1.00 0.79 N ATOM 348 CA PRO A 78 14.808 -11.414 -3.981 1.00 0.76 C ATOM 349 C PRO A 78 14.074 -10.681 -2.847 1.00 0.67 C ATOM 350 O PRO A 78 14.666 -10.297 -1.857 1.00 0.69 O ATOM 351 CB PRO A 78 15.400 -12.735 -3.476 1.00 0.86 C ATOM 352 CG PRO A 78 16.617 -12.958 -4.319 1.00 1.18 C ATOM 353 CD PRO A 78 17.156 -11.566 -4.686 1.00 1.06 C ATOM 0 HA PRO A 78 14.059 -11.538 -4.763 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.657 -12.674 -2.419 1.00 0.86 H new ATOM 0 HB3 PRO A 78 14.689 -13.554 -3.584 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.366 -13.533 -3.774 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.369 -13.526 -5.215 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.003 -11.288 -4.058 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.501 -11.532 -5.719 1.00 1.06 H new ATOM 361 N MET A 79 12.786 -10.492 -2.981 1.00 0.65 N ATOM 362 CA MET A 79 12.013 -9.792 -1.910 1.00 0.61 C ATOM 363 C MET A 79 11.969 -10.674 -0.660 1.00 0.51 C ATOM 364 O MET A 79 11.467 -11.780 -0.687 1.00 0.56 O ATOM 365 CB MET A 79 10.587 -9.524 -2.400 1.00 0.66 C ATOM 366 CG MET A 79 9.910 -8.509 -1.476 1.00 0.74 C ATOM 367 SD MET A 79 10.553 -6.854 -1.830 1.00 1.25 S ATOM 368 CE MET A 79 9.098 -5.924 -1.293 1.00 0.83 C ATOM 0 H MET A 79 12.236 -10.792 -3.786 1.00 0.65 H new ATOM 0 HA MET A 79 12.496 -8.844 -1.671 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.608 -9.144 -3.421 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.017 -10.453 -2.417 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.830 -8.531 -1.622 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.096 -8.768 -0.434 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.992 -5.029 -1.905 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.209 -6.545 -1.401 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.215 -5.637 -0.248 1.00 0.83 H new ATOM 378 N THR A 80 12.497 -10.199 0.440 1.00 0.56 N ATOM 379 CA THR A 80 12.493 -11.018 1.690 1.00 0.60 C ATOM 380 C THR A 80 11.219 -10.770 2.483 1.00 0.56 C ATOM 381 O THR A 80 10.781 -9.652 2.636 1.00 0.50 O ATOM 382 CB THR A 80 13.711 -10.659 2.549 1.00 0.77 C ATOM 383 OG1 THR A 80 13.444 -9.476 3.282 1.00 0.94 O ATOM 384 CG2 THR A 80 14.924 -10.435 1.646 1.00 0.73 C ATOM 0 H THR A 80 12.930 -9.280 0.526 1.00 0.56 H new ATOM 0 HA THR A 80 12.538 -12.072 1.417 1.00 0.60 H new ATOM 0 HB THR A 80 13.918 -11.475 3.241 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.223 -9.249 3.832 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.790 -10.180 2.257 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.132 -11.345 1.084 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.716 -9.620 0.953 1.00 0.73 H new ATOM 392 N TYR A 81 10.629 -11.809 3.022 1.00 0.61 N ATOM 393 CA TYR A 81 9.402 -11.612 3.842 1.00 0.60 C ATOM 394 C TYR A 81 9.756 -10.529 4.861 1.00 0.51 C ATOM 395 O TYR A 81 8.990 -9.628 5.138 1.00 0.45 O ATOM 396 CB TYR A 81 9.028 -12.955 4.523 1.00 0.69 C ATOM 397 CG TYR A 81 8.629 -12.758 5.975 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.372 -12.230 6.294 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.521 -13.104 6.998 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.007 -12.052 7.635 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.157 -12.925 8.337 1.00 0.77 C ATOM 402 CZ TYR A 81 7.900 -12.398 8.656 1.00 0.73 C ATOM 403 OH TYR A 81 7.540 -12.222 9.978 1.00 0.90 O ATOM 0 H TYR A 81 10.943 -12.775 2.929 1.00 0.61 H new ATOM 0 HA TYR A 81 8.538 -11.305 3.253 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.206 -13.422 3.980 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.875 -13.639 4.468 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.684 -11.960 5.507 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.491 -13.510 6.753 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.036 -11.648 7.881 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.846 -13.193 9.124 1.00 0.77 H new ATOM 0 HH TYR A 81 8.274 -12.513 10.558 1.00 0.90 H new ATOM 413 N LYS A 82 10.951 -10.606 5.373 1.00 0.52 N ATOM 414 CA LYS A 82 11.423 -9.583 6.327 1.00 0.48 C ATOM 415 C LYS A 82 11.445 -8.228 5.616 1.00 0.40 C ATOM 416 O LYS A 82 11.255 -7.197 6.233 1.00 0.38 O ATOM 417 CB LYS A 82 12.835 -9.940 6.799 1.00 0.55 C ATOM 418 CG LYS A 82 13.190 -9.103 8.028 1.00 0.60 C ATOM 419 CD LYS A 82 14.549 -9.547 8.570 1.00 0.92 C ATOM 420 CE LYS A 82 14.866 -8.772 9.849 1.00 1.49 C ATOM 421 NZ LYS A 82 16.243 -9.113 10.307 1.00 2.32 N ATOM 0 H LYS A 82 11.623 -11.344 5.165 1.00 0.52 H new ATOM 0 HA LYS A 82 10.759 -9.539 7.190 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.891 -11.001 7.040 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.554 -9.756 6.001 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.219 -8.046 7.765 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.424 -9.220 8.795 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.539 -10.618 8.774 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.325 -9.372 7.824 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.787 -7.700 9.667 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.141 -9.018 10.625 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.460 -8.586 11.177 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.303 -10.134 10.496 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.928 -8.857 9.568 1.00 2.32 H new ATOM 435 N ALA A 83 11.684 -8.206 4.320 1.00 0.42 N ATOM 436 CA ALA A 83 11.716 -6.882 3.618 1.00 0.41 C ATOM 437 C ALA A 83 10.333 -6.226 3.683 1.00 0.35 C ATOM 438 O ALA A 83 10.213 -5.027 3.839 1.00 0.34 O ATOM 439 CB ALA A 83 12.123 -7.054 2.150 1.00 0.52 C ATOM 0 H ALA A 83 11.853 -9.024 3.735 1.00 0.42 H new ATOM 0 HA ALA A 83 12.450 -6.249 4.116 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.139 -6.080 1.660 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.115 -7.503 2.098 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.405 -7.701 1.647 1.00 0.52 H new ATOM 445 N ALA A 84 9.287 -6.997 3.563 1.00 0.34 N ATOM 446 CA ALA A 84 7.916 -6.408 3.616 1.00 0.31 C ATOM 447 C ALA A 84 7.676 -5.773 4.985 1.00 0.28 C ATOM 448 O ALA A 84 7.322 -4.615 5.087 1.00 0.28 O ATOM 449 CB ALA A 84 6.881 -7.510 3.378 1.00 0.34 C ATOM 0 H ALA A 84 9.321 -8.008 3.431 1.00 0.34 H new ATOM 0 HA ALA A 84 7.823 -5.643 2.845 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.879 -7.083 3.416 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.047 -7.959 2.399 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.979 -8.274 4.149 1.00 0.34 H new ATOM 455 N VAL A 85 7.857 -6.519 6.039 1.00 0.29 N ATOM 456 CA VAL A 85 7.626 -5.950 7.396 1.00 0.29 C ATOM 457 C VAL A 85 8.624 -4.826 7.663 1.00 0.29 C ATOM 458 O VAL A 85 8.268 -3.774 8.154 1.00 0.30 O ATOM 459 CB VAL A 85 7.790 -7.047 8.453 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.161 -6.589 9.771 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.092 -8.321 7.975 1.00 0.38 C ATOM 0 H VAL A 85 8.154 -7.495 6.020 1.00 0.29 H new ATOM 0 HA VAL A 85 6.613 -5.550 7.447 1.00 0.29 H new ATOM 0 HB VAL A 85 8.851 -7.245 8.607 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.279 -7.371 10.521 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.655 -5.680 10.113 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.100 -6.390 9.618 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.208 -9.103 8.726 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.032 -8.119 7.821 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.538 -8.650 7.037 1.00 0.38 H new ATOM 471 N ASP A 86 9.869 -5.027 7.338 1.00 0.30 N ATOM 472 CA ASP A 86 10.865 -3.952 7.575 1.00 0.32 C ATOM 473 C ASP A 86 10.430 -2.722 6.783 1.00 0.30 C ATOM 474 O ASP A 86 10.344 -1.628 7.306 1.00 0.31 O ATOM 475 CB ASP A 86 12.244 -4.412 7.096 1.00 0.36 C ATOM 476 CG ASP A 86 12.784 -5.481 8.049 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.987 -6.055 8.773 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.982 -5.706 8.038 1.00 1.23 O ATOM 0 H ASP A 86 10.237 -5.883 6.922 1.00 0.30 H new ATOM 0 HA ASP A 86 10.924 -3.717 8.638 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.175 -4.813 6.085 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.929 -3.565 7.057 1.00 0.36 H new ATOM 483 N LEU A 87 10.141 -2.898 5.526 1.00 0.29 N ATOM 484 CA LEU A 87 9.695 -1.750 4.695 1.00 0.30 C ATOM 485 C LEU A 87 8.372 -1.202 5.239 1.00 0.29 C ATOM 486 O LEU A 87 8.169 -0.006 5.300 1.00 0.30 O ATOM 487 CB LEU A 87 9.500 -2.210 3.243 1.00 0.33 C ATOM 488 CG LEU A 87 9.442 -0.990 2.300 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.858 -0.546 1.911 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.673 -1.362 1.025 1.00 0.44 C ATOM 0 H LEU A 87 10.195 -3.792 5.037 1.00 0.29 H new ATOM 0 HA LEU A 87 10.452 -0.967 4.729 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.318 -2.867 2.949 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.580 -2.789 3.158 1.00 0.33 H new ATOM 0 HG LEU A 87 8.938 -0.175 2.819 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.799 0.315 1.246 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.414 -0.274 2.809 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.369 -1.363 1.402 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.633 -0.500 0.360 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.180 -2.185 0.522 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.660 -1.666 1.287 1.00 0.44 H new ATOM 502 N SER A 88 7.460 -2.060 5.623 1.00 0.30 N ATOM 503 CA SER A 88 6.160 -1.559 6.141 1.00 0.34 C ATOM 504 C SER A 88 6.398 -0.549 7.266 1.00 0.33 C ATOM 505 O SER A 88 5.831 0.526 7.276 1.00 0.36 O ATOM 506 CB SER A 88 5.333 -2.731 6.669 1.00 0.40 C ATOM 507 OG SER A 88 5.954 -3.257 7.835 1.00 0.44 O ATOM 0 H SER A 88 7.562 -3.075 5.599 1.00 0.30 H new ATOM 0 HA SER A 88 5.619 -1.068 5.332 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.320 -2.401 6.900 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.250 -3.505 5.906 1.00 0.40 H new ATOM 0 HG SER A 88 5.833 -2.632 8.580 1.00 0.44 H new ATOM 513 N HIS A 89 7.221 -0.886 8.218 1.00 0.34 N ATOM 514 CA HIS A 89 7.479 0.056 9.343 1.00 0.36 C ATOM 515 C HIS A 89 8.358 1.213 8.873 1.00 0.36 C ATOM 516 O HIS A 89 8.217 2.330 9.333 1.00 0.41 O ATOM 517 CB HIS A 89 8.174 -0.690 10.483 1.00 0.41 C ATOM 518 CG HIS A 89 7.350 -1.886 10.871 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.340 -2.380 10.061 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.373 -2.697 11.978 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.801 -3.443 10.686 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.395 -3.680 11.860 1.00 0.82 N ATOM 0 H HIS A 89 7.726 -1.771 8.267 1.00 0.34 H new ATOM 0 HA HIS A 89 6.529 0.458 9.695 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.170 -1.006 10.172 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.302 -0.029 11.340 1.00 0.41 H new ATOM 0 HD2 HIS A 89 8.048 -2.589 12.814 1.00 1.01 H new ATOM 0 HE1 HIS A 89 4.988 -4.032 10.288 1.00 1.27 H new ATOM 0 HE2 HIS A 89 6.178 -4.422 12.526 1.00 0.82 H new ATOM 530 N PHE A 90 9.258 0.975 7.962 1.00 0.34 N ATOM 531 CA PHE A 90 10.120 2.089 7.487 1.00 0.37 C ATOM 532 C PHE A 90 9.226 3.188 6.914 1.00 0.40 C ATOM 533 O PHE A 90 9.287 4.332 7.320 1.00 0.47 O ATOM 534 CB PHE A 90 11.071 1.582 6.403 1.00 0.38 C ATOM 535 CG PHE A 90 12.084 2.655 6.084 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.275 2.733 6.815 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.831 3.574 5.059 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.213 3.729 6.522 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.769 4.570 4.764 1.00 0.70 C ATOM 540 CZ PHE A 90 13.961 4.648 5.496 1.00 0.72 C ATOM 0 H PHE A 90 9.433 0.068 7.530 1.00 0.34 H new ATOM 0 HA PHE A 90 10.709 2.482 8.316 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.577 0.678 6.741 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.510 1.317 5.506 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.470 2.024 7.606 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.912 3.515 4.496 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.131 3.789 7.087 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.574 5.278 3.972 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.685 5.416 5.269 1.00 0.72 H new ATOM 550 N LEU A 91 8.393 2.844 5.972 1.00 0.37 N ATOM 551 CA LEU A 91 7.486 3.857 5.365 1.00 0.42 C ATOM 552 C LEU A 91 6.538 4.429 6.423 1.00 0.47 C ATOM 553 O LEU A 91 6.054 5.532 6.289 1.00 0.57 O ATOM 554 CB LEU A 91 6.664 3.201 4.254 1.00 0.41 C ATOM 555 CG LEU A 91 7.599 2.622 3.185 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.799 1.695 2.266 1.00 0.42 C ATOM 557 CD2 LEU A 91 8.227 3.753 2.354 1.00 0.54 C ATOM 0 H LEU A 91 8.301 1.901 5.595 1.00 0.37 H new ATOM 0 HA LEU A 91 8.089 4.667 4.955 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.040 2.410 4.670 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.993 3.934 3.805 1.00 0.41 H new ATOM 0 HG LEU A 91 8.397 2.063 3.674 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.459 1.280 1.504 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.368 0.884 2.853 1.00 0.42 H new ATOM 0 HD13 LEU A 91 6.000 2.260 1.786 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.888 3.326 1.600 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.439 4.325 1.864 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.800 4.410 3.008 1.00 0.54 H new ATOM 569 N LYS A 92 6.253 3.697 7.468 1.00 0.45 N ATOM 570 CA LYS A 92 5.317 4.232 8.499 1.00 0.53 C ATOM 571 C LYS A 92 5.896 5.507 9.114 1.00 0.63 C ATOM 572 O LYS A 92 5.233 6.524 9.193 1.00 0.85 O ATOM 573 CB LYS A 92 5.103 3.181 9.600 1.00 0.54 C ATOM 574 CG LYS A 92 4.040 3.669 10.623 1.00 0.73 C ATOM 575 CD LYS A 92 4.719 4.251 11.872 1.00 1.20 C ATOM 576 CE LYS A 92 3.652 4.671 12.885 1.00 1.61 C ATOM 577 NZ LYS A 92 2.641 5.537 12.212 1.00 2.27 N ATOM 0 H LYS A 92 6.622 2.764 7.651 1.00 0.45 H new ATOM 0 HA LYS A 92 4.361 4.462 8.028 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.781 2.240 9.154 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.045 2.986 10.112 1.00 0.54 H new ATOM 0 HG2 LYS A 92 3.404 4.425 10.162 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.393 2.839 10.907 1.00 0.73 H new ATOM 0 HD2 LYS A 92 5.385 3.510 12.315 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.333 5.109 11.598 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.169 3.790 13.307 1.00 1.61 H new ATOM 0 HE3 LYS A 92 4.113 5.209 13.713 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.245 6.208 12.901 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.094 6.062 11.437 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 1.877 4.945 11.828 1.00 2.27 H new ATOM 591 N GLU A 93 7.120 5.465 9.556 1.00 0.62 N ATOM 592 CA GLU A 93 7.729 6.676 10.173 1.00 0.76 C ATOM 593 C GLU A 93 7.961 7.749 9.104 1.00 0.77 C ATOM 594 O GLU A 93 7.366 8.809 9.136 1.00 1.05 O ATOM 595 CB GLU A 93 9.064 6.298 10.822 1.00 0.94 C ATOM 596 CG GLU A 93 8.802 5.554 12.135 1.00 1.22 C ATOM 597 CD GLU A 93 10.121 5.005 12.685 1.00 2.00 C ATOM 598 OE1 GLU A 93 10.787 5.730 13.406 1.00 2.54 O ATOM 599 OE2 GLU A 93 10.441 3.869 12.377 1.00 2.73 O ATOM 0 H GLU A 93 7.726 4.645 9.517 1.00 0.62 H new ATOM 0 HA GLU A 93 7.053 7.072 10.931 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.644 5.670 10.146 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.655 7.194 11.011 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.345 6.226 12.861 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.098 4.739 11.969 1.00 1.22 H new ATOM 606 N LYS A 94 8.831 7.491 8.166 1.00 0.80 N ATOM 607 CA LYS A 94 9.116 8.502 7.106 1.00 1.02 C ATOM 608 C LYS A 94 7.995 8.510 6.050 1.00 0.96 C ATOM 609 O LYS A 94 7.347 9.513 5.831 1.00 1.41 O ATOM 610 CB LYS A 94 10.462 8.169 6.437 1.00 1.39 C ATOM 611 CG LYS A 94 11.619 8.712 7.285 1.00 1.63 C ATOM 612 CD LYS A 94 11.621 8.024 8.653 1.00 2.18 C ATOM 613 CE LYS A 94 12.936 8.327 9.375 1.00 2.61 C ATOM 614 NZ LYS A 94 14.058 7.639 8.676 1.00 2.96 N ATOM 0 H LYS A 94 9.359 6.622 8.087 1.00 0.80 H new ATOM 0 HA LYS A 94 9.166 9.491 7.562 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.562 7.090 6.320 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.498 8.603 5.438 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.568 8.538 6.778 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.517 9.790 7.409 1.00 1.63 H new ATOM 0 HD2 LYS A 94 10.778 8.373 9.249 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.501 6.948 8.531 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.112 9.403 9.396 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.880 7.993 10.411 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 14.830 7.462 9.350 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.723 6.734 8.288 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.405 8.240 7.901 1.00 2.96 H new ATOM 628 N GLY A 95 7.779 7.408 5.381 1.00 1.12 N ATOM 629 CA GLY A 95 6.724 7.360 4.325 1.00 1.51 C ATOM 630 C GLY A 95 5.430 8.023 4.815 1.00 1.10 C ATOM 631 O GLY A 95 5.154 9.165 4.504 1.00 1.71 O ATOM 0 H GLY A 95 8.289 6.536 5.521 1.00 1.12 H new ATOM 0 HA2 GLY A 95 7.079 7.866 3.427 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.525 6.324 4.050 1.00 1.51 H new ATOM 635 N GLY A 96 4.626 7.315 5.567 1.00 1.17 N ATOM 636 CA GLY A 96 3.341 7.899 6.064 1.00 0.99 C ATOM 637 C GLY A 96 2.204 7.550 5.094 1.00 0.81 C ATOM 638 O GLY A 96 1.451 8.405 4.674 1.00 0.83 O ATOM 0 H GLY A 96 4.804 6.354 5.860 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.115 7.513 7.058 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.434 8.981 6.156 1.00 0.99 H new ATOM 642 N LEU A 97 2.073 6.297 4.741 1.00 0.67 N ATOM 643 CA LEU A 97 0.986 5.885 3.803 1.00 0.55 C ATOM 644 C LEU A 97 -0.305 5.668 4.602 1.00 0.46 C ATOM 645 O LEU A 97 -1.398 5.743 4.078 1.00 0.49 O ATOM 646 CB LEU A 97 1.402 4.574 3.114 1.00 0.54 C ATOM 647 CG LEU A 97 0.356 4.140 2.070 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.434 5.034 0.826 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.631 2.688 1.663 1.00 0.66 C ATOM 0 H LEU A 97 2.674 5.539 5.063 1.00 0.67 H new ATOM 0 HA LEU A 97 0.818 6.656 3.051 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.370 4.705 2.631 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.522 3.789 3.861 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.639 4.230 2.506 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.312 4.712 0.099 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.242 6.069 1.109 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.427 4.957 0.384 1.00 0.65 H new ATOM 0 HD21 LEU A 97 -0.105 2.372 0.924 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.631 2.613 1.235 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.563 2.045 2.541 1.00 0.66 H new ATOM 661 N GLU A 98 -0.176 5.390 5.868 1.00 0.44 N ATOM 662 CA GLU A 98 -1.374 5.150 6.723 1.00 0.40 C ATOM 663 C GLU A 98 -2.428 6.238 6.519 1.00 0.40 C ATOM 664 O GLU A 98 -2.128 7.384 6.247 1.00 0.58 O ATOM 665 CB GLU A 98 -0.944 5.144 8.192 1.00 0.49 C ATOM 666 CG GLU A 98 -2.158 4.897 9.095 1.00 0.48 C ATOM 667 CD GLU A 98 -1.691 4.756 10.545 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.601 5.214 10.844 1.00 1.94 O ATOM 669 OE2 GLU A 98 -2.434 4.191 11.332 1.00 2.03 O ATOM 0 H GLU A 98 0.718 5.318 6.354 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.810 4.191 6.444 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.195 4.369 8.357 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.479 6.096 8.447 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.865 5.722 9.007 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.682 3.994 8.780 1.00 0.48 H new ATOM 676 N GLY A 99 -3.664 5.868 6.691 1.00 0.39 N ATOM 677 CA GLY A 99 -4.791 6.836 6.562 1.00 0.42 C ATOM 678 C GLY A 99 -4.749 7.583 5.222 1.00 0.42 C ATOM 679 O GLY A 99 -5.597 8.409 4.949 1.00 0.46 O ATOM 0 H GLY A 99 -3.948 4.916 6.920 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.739 6.305 6.653 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.749 7.555 7.380 1.00 0.42 H new ATOM 683 N LEU A 100 -3.788 7.314 4.383 1.00 0.41 N ATOM 684 CA LEU A 100 -3.740 8.037 3.074 1.00 0.43 C ATOM 685 C LEU A 100 -4.806 7.451 2.140 1.00 0.42 C ATOM 686 O LEU A 100 -4.735 6.302 1.753 1.00 0.44 O ATOM 687 CB LEU A 100 -2.348 7.883 2.444 1.00 0.45 C ATOM 688 CG LEU A 100 -2.108 9.000 1.409 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.795 10.338 2.109 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.934 8.606 0.507 1.00 1.17 C ATOM 0 H LEU A 100 -3.042 6.636 4.540 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.937 9.097 3.232 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.583 7.924 3.219 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.263 6.908 1.964 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.012 9.127 0.813 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.629 11.111 1.359 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.635 10.622 2.743 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.899 10.228 2.720 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.759 9.392 -0.227 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.039 8.471 1.114 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.168 7.674 -0.008 1.00 1.17 H new ATOM 702 N ILE A 101 -5.801 8.222 1.785 1.00 0.44 N ATOM 703 CA ILE A 101 -6.866 7.684 0.892 1.00 0.45 C ATOM 704 C ILE A 101 -6.275 7.287 -0.461 1.00 0.46 C ATOM 705 O ILE A 101 -5.904 8.116 -1.267 1.00 0.49 O ATOM 706 CB ILE A 101 -8.000 8.714 0.729 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.881 8.716 2.001 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.860 8.381 -0.502 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.914 7.566 1.983 1.00 0.52 C ATOM 0 H ILE A 101 -5.921 9.193 2.073 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.290 6.789 1.347 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.561 9.702 0.586 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.247 8.622 2.883 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.401 9.671 2.082 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.656 9.119 -0.601 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.237 8.397 -1.396 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.298 7.390 -0.383 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.513 7.601 2.893 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.565 7.675 1.115 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.393 6.610 1.928 1.00 0.52 H new ATOM 721 N HIS A 102 -6.205 6.007 -0.706 1.00 0.47 N ATOM 722 CA HIS A 102 -5.660 5.509 -1.995 1.00 0.51 C ATOM 723 C HIS A 102 -6.583 5.940 -3.135 1.00 0.58 C ATOM 724 O HIS A 102 -7.644 5.373 -3.338 1.00 0.64 O ATOM 725 CB HIS A 102 -5.585 3.980 -1.951 1.00 0.57 C ATOM 726 CG HIS A 102 -5.157 3.454 -3.294 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.639 4.276 -4.282 1.00 1.41 N ATOM 728 CD2 HIS A 102 -5.169 2.189 -3.828 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.364 3.503 -5.349 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.669 2.223 -5.125 1.00 0.70 N ATOM 0 H HIS A 102 -6.507 5.279 -0.058 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.664 5.921 -2.158 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.879 3.663 -1.184 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.557 3.566 -1.681 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.514 1.302 -3.318 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -3.947 3.873 -6.274 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.559 1.438 -5.767 1.00 0.70 H new ATOM 738 N SER A 103 -6.185 6.941 -3.876 1.00 0.60 N ATOM 739 CA SER A 103 -7.026 7.414 -5.010 1.00 0.69 C ATOM 740 C SER A 103 -6.996 6.372 -6.131 1.00 0.76 C ATOM 741 O SER A 103 -7.942 5.642 -6.345 1.00 0.85 O ATOM 742 CB SER A 103 -6.480 8.742 -5.532 1.00 0.74 C ATOM 743 OG SER A 103 -6.677 9.750 -4.550 1.00 1.49 O ATOM 0 H SER A 103 -5.312 7.451 -3.743 1.00 0.60 H new ATOM 0 HA SER A 103 -8.052 7.555 -4.670 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.419 8.646 -5.763 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.985 9.017 -6.458 1.00 0.74 H new ATOM 0 HG SER A 103 -6.949 10.584 -4.987 1.00 1.49 H new ATOM 749 N GLN A 104 -5.906 6.303 -6.845 1.00 0.81 N ATOM 750 CA GLN A 104 -5.794 5.315 -7.954 1.00 0.92 C ATOM 751 C GLN A 104 -4.341 5.273 -8.434 1.00 0.93 C ATOM 752 O GLN A 104 -3.795 4.220 -8.700 1.00 1.37 O ATOM 753 CB GLN A 104 -6.709 5.731 -9.107 1.00 1.06 C ATOM 754 CG GLN A 104 -6.821 4.584 -10.114 1.00 1.76 C ATOM 755 CD GLN A 104 -7.863 4.941 -11.176 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.514 5.962 -11.083 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.048 4.138 -12.188 1.00 2.70 N ATOM 0 H GLN A 104 -5.084 6.892 -6.707 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.094 4.328 -7.603 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.696 5.991 -8.725 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.312 6.620 -9.596 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -5.854 4.402 -10.584 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.106 3.664 -9.604 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.501 3.281 -12.265 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.740 4.368 -12.902 1.00 2.70 H new ATOM 766 N ARG A 105 -3.707 6.413 -8.533 1.00 0.83 N ATOM 767 CA ARG A 105 -2.282 6.450 -8.981 1.00 0.87 C ATOM 768 C ARG A 105 -1.379 6.334 -7.744 1.00 0.74 C ATOM 769 O ARG A 105 -0.223 5.973 -7.840 1.00 0.70 O ATOM 770 CB ARG A 105 -1.998 7.785 -9.704 1.00 1.06 C ATOM 771 CG ARG A 105 -2.319 7.683 -11.211 1.00 1.71 C ATOM 772 CD ARG A 105 -3.842 7.746 -11.452 1.00 1.99 C ATOM 773 NE ARG A 105 -4.234 6.734 -12.485 1.00 2.86 N ATOM 774 CZ ARG A 105 -3.571 6.615 -13.607 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.631 7.467 -13.915 1.00 3.73 N ATOM 776 NH2 ARG A 105 -3.879 5.662 -14.443 1.00 4.61 N ATOM 0 H ARG A 105 -4.116 7.323 -8.322 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.086 5.627 -9.668 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.595 8.579 -9.255 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -0.951 8.059 -9.570 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -1.827 8.494 -11.748 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.921 6.750 -11.610 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -4.375 7.554 -10.521 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -4.126 8.745 -11.782 1.00 1.99 H new ATOM 0 HE ARG A 105 -5.034 6.126 -12.310 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.408 8.233 -13.279 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -2.119 7.367 -14.792 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -4.634 5.013 -14.221 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -3.365 5.566 -15.319 1.00 4.61 H new ATOM 790 N ARG A 106 -1.899 6.649 -6.588 1.00 0.71 N ATOM 791 CA ARG A 106 -1.075 6.576 -5.345 1.00 0.65 C ATOM 792 C ARG A 106 -0.413 5.201 -5.236 1.00 0.54 C ATOM 793 O ARG A 106 0.703 5.078 -4.771 1.00 0.50 O ATOM 794 CB ARG A 106 -1.974 6.803 -4.127 1.00 0.70 C ATOM 795 CG ARG A 106 -2.671 8.167 -4.246 1.00 1.01 C ATOM 796 CD ARG A 106 -1.643 9.318 -4.149 1.00 1.24 C ATOM 797 NE ARG A 106 -2.170 10.399 -3.252 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.391 10.854 -3.379 1.00 2.48 C ATOM 799 NH1 ARG A 106 -4.148 10.452 -4.361 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.842 11.740 -2.535 1.00 3.29 N ATOM 0 H ARG A 106 -2.862 6.955 -6.450 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.302 7.344 -5.383 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.717 6.009 -4.058 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.381 6.765 -3.213 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -3.203 8.227 -5.195 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.415 8.270 -3.457 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -0.697 8.941 -3.761 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.442 9.722 -5.141 1.00 1.24 H new ATOM 0 HE ARG A 106 -1.565 10.787 -2.529 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -3.790 9.778 -5.038 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -5.098 10.811 -4.453 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.244 12.076 -1.780 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.793 12.097 -2.630 1.00 3.29 H new ATOM 814 N GLN A 107 -1.084 4.165 -5.657 1.00 0.55 N ATOM 815 CA GLN A 107 -0.477 2.806 -5.568 1.00 0.52 C ATOM 816 C GLN A 107 0.772 2.751 -6.454 1.00 0.49 C ATOM 817 O GLN A 107 1.800 2.235 -6.062 1.00 0.44 O ATOM 818 CB GLN A 107 -1.488 1.760 -6.044 1.00 0.63 C ATOM 819 CG GLN A 107 -0.817 0.385 -6.097 1.00 1.11 C ATOM 820 CD GLN A 107 -1.886 -0.704 -6.201 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.967 -1.398 -7.194 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.716 -0.882 -5.210 1.00 2.12 N ATOM 0 H GLN A 107 -2.022 4.199 -6.057 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.202 2.597 -4.534 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.343 1.733 -5.369 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.868 2.029 -7.030 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.144 0.331 -6.952 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.211 0.230 -5.204 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.647 -0.299 -4.376 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.433 -1.605 -5.269 1.00 2.12 H new ATOM 831 N ASP A 108 0.687 3.278 -7.645 1.00 0.56 N ATOM 832 CA ASP A 108 1.867 3.255 -8.557 1.00 0.59 C ATOM 833 C ASP A 108 3.044 3.979 -7.901 1.00 0.54 C ATOM 834 O ASP A 108 4.115 3.427 -7.745 1.00 0.54 O ATOM 835 CB ASP A 108 1.509 3.953 -9.869 1.00 0.72 C ATOM 836 CG ASP A 108 0.202 3.376 -10.415 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.814 3.539 -9.760 1.00 1.33 O ATOM 838 OD2 ASP A 108 0.240 2.778 -11.477 1.00 1.42 O ATOM 0 H ASP A 108 -0.148 3.723 -8.026 1.00 0.56 H new ATOM 0 HA ASP A 108 2.147 2.221 -8.756 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.405 5.026 -9.706 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.310 3.817 -10.596 1.00 0.72 H new ATOM 843 N ILE A 109 2.858 5.214 -7.519 1.00 0.55 N ATOM 844 CA ILE A 109 3.972 5.972 -6.877 1.00 0.54 C ATOM 845 C ILE A 109 4.623 5.111 -5.794 1.00 0.47 C ATOM 846 O ILE A 109 5.831 5.003 -5.715 1.00 0.53 O ATOM 847 CB ILE A 109 3.424 7.255 -6.246 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.495 7.967 -7.238 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.585 8.182 -5.880 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.193 8.127 -8.593 1.00 1.47 C ATOM 0 H ILE A 109 1.985 5.730 -7.623 1.00 0.55 H new ATOM 0 HA ILE A 109 4.715 6.227 -7.633 1.00 0.54 H new ATOM 0 HB ILE A 109 2.863 7.000 -5.347 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.574 7.396 -7.360 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.214 8.945 -6.847 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.194 9.095 -5.431 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.241 7.680 -5.169 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.148 8.432 -6.779 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.524 8.633 -9.289 1.00 1.47 H new ATOM 0 HD12 ILE A 109 4.101 8.717 -8.467 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.451 7.144 -8.988 1.00 1.47 H new ATOM 862 N LEU A 110 3.833 4.495 -4.959 1.00 0.43 N ATOM 863 CA LEU A 110 4.407 3.641 -3.881 1.00 0.39 C ATOM 864 C LEU A 110 5.291 2.563 -4.510 1.00 0.38 C ATOM 865 O LEU A 110 6.498 2.585 -4.385 1.00 0.38 O ATOM 866 CB LEU A 110 3.264 2.981 -3.097 1.00 0.42 C ATOM 867 CG LEU A 110 3.822 2.062 -1.997 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.702 2.866 -1.025 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.649 1.438 -1.231 1.00 0.66 C ATOM 0 H LEU A 110 2.814 4.546 -4.976 1.00 0.43 H new ATOM 0 HA LEU A 110 5.006 4.250 -3.204 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.631 3.748 -2.651 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.636 2.405 -3.776 1.00 0.42 H new ATOM 0 HG LEU A 110 4.430 1.281 -2.453 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.090 2.203 -0.252 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.533 3.312 -1.571 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.107 3.654 -0.562 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.033 0.784 -0.448 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.047 2.228 -0.782 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.033 0.858 -1.918 1.00 0.66 H new ATOM 881 N ASP A 111 4.697 1.616 -5.184 1.00 0.40 N ATOM 882 CA ASP A 111 5.498 0.531 -5.819 1.00 0.42 C ATOM 883 C ASP A 111 6.608 1.141 -6.679 1.00 0.43 C ATOM 884 O ASP A 111 7.709 0.630 -6.742 1.00 0.42 O ATOM 885 CB ASP A 111 4.586 -0.323 -6.702 1.00 0.50 C ATOM 886 CG ASP A 111 3.511 -0.986 -5.838 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.833 -0.272 -5.119 1.00 1.19 O ATOM 888 OD2 ASP A 111 3.384 -2.198 -5.911 1.00 1.30 O ATOM 0 H ASP A 111 3.689 1.547 -5.323 1.00 0.40 H new ATOM 0 HA ASP A 111 5.944 -0.089 -5.041 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.120 0.297 -7.468 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.171 -1.083 -7.219 1.00 0.50 H new ATOM 893 N LEU A 112 6.326 2.224 -7.349 1.00 0.48 N ATOM 894 CA LEU A 112 7.362 2.860 -8.213 1.00 0.52 C ATOM 895 C LEU A 112 8.515 3.375 -7.350 1.00 0.48 C ATOM 896 O LEU A 112 9.667 3.090 -7.607 1.00 0.47 O ATOM 897 CB LEU A 112 6.732 4.025 -8.986 1.00 0.60 C ATOM 898 CG LEU A 112 7.678 4.494 -10.111 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.526 3.599 -11.350 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.337 5.938 -10.500 1.00 1.26 C ATOM 0 H LEU A 112 5.422 2.697 -7.336 1.00 0.48 H new ATOM 0 HA LEU A 112 7.749 2.123 -8.917 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.777 3.715 -9.410 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.526 4.852 -8.307 1.00 0.60 H new ATOM 0 HG LEU A 112 8.704 4.434 -9.747 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.201 3.944 -12.133 1.00 1.45 H new ATOM 0 HD12 LEU A 112 7.771 2.570 -11.088 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.498 3.647 -11.709 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.006 6.268 -11.295 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.306 5.987 -10.850 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.457 6.587 -9.632 1.00 1.26 H new ATOM 912 N TRP A 113 8.221 4.131 -6.328 1.00 0.48 N ATOM 913 CA TRP A 113 9.312 4.655 -5.460 1.00 0.48 C ATOM 914 C TRP A 113 10.210 3.491 -5.031 1.00 0.43 C ATOM 915 O TRP A 113 11.420 3.567 -5.110 1.00 0.45 O ATOM 916 CB TRP A 113 8.709 5.330 -4.225 1.00 0.52 C ATOM 917 CG TRP A 113 9.801 5.730 -3.284 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.541 6.859 -3.383 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.289 5.023 -2.110 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.452 6.888 -2.342 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.336 5.777 -1.530 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.927 3.812 -1.499 1.00 0.51 C ATOM 923 CZ2 TRP A 113 12.000 5.342 -0.381 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.591 3.369 -0.346 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.626 4.133 0.213 1.00 0.67 C ATOM 0 H TRP A 113 7.277 4.407 -6.058 1.00 0.48 H new ATOM 0 HA TRP A 113 9.902 5.388 -6.010 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.133 6.206 -4.523 1.00 0.52 H new ATOM 0 HB3 TRP A 113 8.019 4.649 -3.727 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.437 7.613 -4.149 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.127 7.638 -2.193 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.131 3.217 -1.920 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.796 5.935 0.045 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.304 2.435 0.114 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.134 3.788 1.102 1.00 0.67 H new ATOM 936 N ILE A 114 9.627 2.412 -4.584 1.00 0.39 N ATOM 937 CA ILE A 114 10.452 1.245 -4.162 1.00 0.37 C ATOM 938 C ILE A 114 11.315 0.789 -5.343 1.00 0.39 C ATOM 939 O ILE A 114 12.383 0.238 -5.166 1.00 0.44 O ATOM 940 CB ILE A 114 9.529 0.100 -3.718 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.574 0.611 -2.636 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.358 -1.054 -3.143 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.586 -0.492 -2.260 1.00 1.00 C ATOM 0 H ILE A 114 8.619 2.288 -4.493 1.00 0.39 H new ATOM 0 HA ILE A 114 11.096 1.528 -3.329 1.00 0.37 H new ATOM 0 HB ILE A 114 8.965 -0.255 -4.581 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.138 0.923 -1.757 1.00 0.37 H new ATOM 0 HG13 ILE A 114 8.036 1.488 -2.997 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.693 -1.860 -2.832 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.044 -1.424 -3.905 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.927 -0.700 -2.283 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.907 -0.126 -1.490 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.013 -0.782 -3.140 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.132 -1.356 -1.881 1.00 1.00 H new ATOM 955 N TYR A 115 10.857 1.002 -6.546 1.00 0.40 N ATOM 956 CA TYR A 115 11.650 0.570 -7.733 1.00 0.46 C ATOM 957 C TYR A 115 12.966 1.359 -7.819 1.00 0.51 C ATOM 958 O TYR A 115 14.041 0.800 -7.742 1.00 0.54 O ATOM 959 CB TYR A 115 10.821 0.802 -9.004 1.00 0.53 C ATOM 960 CG TYR A 115 11.367 -0.044 -10.133 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.240 -1.439 -10.087 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.998 0.563 -11.227 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.746 -2.224 -11.131 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.501 -0.222 -12.269 1.00 0.82 C ATOM 965 CZ TYR A 115 12.375 -1.615 -12.222 1.00 0.77 C ATOM 966 OH TYR A 115 12.872 -2.388 -13.251 1.00 0.87 O ATOM 0 H TYR A 115 9.969 1.456 -6.759 1.00 0.40 H new ATOM 0 HA TYR A 115 11.889 -0.489 -7.635 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.777 0.549 -8.820 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.849 1.856 -9.280 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.752 -1.909 -9.246 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.096 1.638 -11.265 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.651 -3.299 -11.094 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.987 0.247 -13.111 1.00 0.82 H new ATOM 0 HH TYR A 115 13.276 -1.808 -13.930 1.00 0.87 H new ATOM 976 N HIS A 116 12.890 2.649 -8.003 1.00 0.58 N ATOM 977 CA HIS A 116 14.135 3.470 -8.123 1.00 0.67 C ATOM 978 C HIS A 116 14.982 3.381 -6.847 1.00 0.67 C ATOM 979 O HIS A 116 15.983 4.056 -6.725 1.00 0.81 O ATOM 980 CB HIS A 116 13.750 4.930 -8.372 1.00 0.79 C ATOM 981 CG HIS A 116 12.960 5.026 -9.649 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.206 4.200 -10.734 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.923 5.843 -10.027 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.337 4.536 -11.705 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.531 5.532 -11.327 1.00 2.74 N ATOM 0 H HIS A 116 12.018 3.174 -8.076 1.00 0.58 H new ATOM 0 HA HIS A 116 14.725 3.085 -8.955 1.00 0.67 H new ATOM 0 HB2 HIS A 116 13.161 5.310 -7.537 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.645 5.548 -8.438 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.479 6.610 -9.410 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.296 4.058 -12.673 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.789 5.970 -11.873 1.00 2.74 H new ATOM 993 N THR A 117 14.600 2.557 -5.899 1.00 0.63 N ATOM 994 CA THR A 117 15.401 2.431 -4.633 1.00 0.68 C ATOM 995 C THR A 117 16.113 1.076 -4.601 1.00 0.66 C ATOM 996 O THR A 117 17.165 0.906 -5.185 1.00 0.73 O ATOM 997 CB THR A 117 14.475 2.541 -3.421 1.00 0.80 C ATOM 998 OG1 THR A 117 13.429 1.589 -3.535 1.00 0.85 O ATOM 999 CG2 THR A 117 13.886 3.951 -3.352 1.00 0.91 C ATOM 0 H THR A 117 13.770 1.966 -5.945 1.00 0.63 H new ATOM 0 HA THR A 117 16.140 3.232 -4.602 1.00 0.68 H new ATOM 0 HB THR A 117 15.043 2.344 -2.512 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.483 1.147 -4.408 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.226 4.028 -2.488 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.693 4.678 -3.259 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.319 4.153 -4.261 1.00 0.91 H new ATOM 1007 N GLN A 118 15.554 0.109 -3.919 1.00 0.73 N ATOM 1008 CA GLN A 118 16.211 -1.230 -3.851 1.00 0.83 C ATOM 1009 C GLN A 118 15.884 -2.027 -5.117 1.00 0.72 C ATOM 1010 O GLN A 118 16.354 -3.132 -5.305 1.00 0.91 O ATOM 1011 CB GLN A 118 15.709 -1.997 -2.623 1.00 1.06 C ATOM 1012 CG GLN A 118 15.573 -1.053 -1.422 1.00 1.48 C ATOM 1013 CD GLN A 118 14.268 -0.245 -1.508 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.240 -0.717 -2.166 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 14.181 0.833 -0.956 1.00 2.13 N flip ATOM 0 H GLN A 118 14.675 0.189 -3.408 1.00 0.73 H new ATOM 0 HA GLN A 118 17.290 -1.094 -3.773 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.746 -2.457 -2.843 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.401 -2.804 -2.383 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.589 -1.629 -0.497 1.00 1.48 H new ATOM 0 HG3 GLN A 118 16.425 -0.374 -1.389 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.978 1.208 -0.441 1.00 2.13 H new ATOM 0 HE22 GLN A 118 13.311 1.363 -1.007 1.00 2.13 H new ATOM 1024 N GLY A 119 15.090 -1.473 -5.987 1.00 0.86 N ATOM 1025 CA GLY A 119 14.741 -2.186 -7.249 1.00 0.85 C ATOM 1026 C GLY A 119 13.916 -3.445 -6.968 1.00 0.65 C ATOM 1027 O GLY A 119 13.996 -4.412 -7.699 1.00 0.67 O ATOM 0 H GLY A 119 14.664 -0.552 -5.880 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.179 -1.519 -7.902 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.653 -2.458 -7.780 1.00 0.85 H new ATOM 1031 N TYR A 120 13.105 -3.454 -5.942 1.00 0.54 N ATOM 1032 CA TYR A 120 12.282 -4.671 -5.690 1.00 0.44 C ATOM 1033 C TYR A 120 11.169 -4.715 -6.740 1.00 0.49 C ATOM 1034 O TYR A 120 10.488 -3.738 -6.975 1.00 0.70 O ATOM 1035 CB TYR A 120 11.653 -4.619 -4.286 1.00 0.48 C ATOM 1036 CG TYR A 120 12.645 -5.094 -3.239 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.160 -6.399 -3.289 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.043 -4.228 -2.213 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.071 -6.829 -2.316 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.954 -4.660 -1.242 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.469 -5.961 -1.294 1.00 0.75 C ATOM 1042 OH TYR A 120 15.367 -6.386 -0.337 1.00 0.91 O ATOM 0 H TYR A 120 12.979 -2.688 -5.281 1.00 0.54 H new ATOM 0 HA TYR A 120 12.912 -5.558 -5.752 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.337 -3.600 -4.060 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.760 -5.243 -4.258 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.854 -7.071 -4.077 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.646 -3.224 -2.171 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.467 -7.833 -2.355 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.260 -3.990 -0.452 1.00 0.71 H new ATOM 0 HH TYR A 120 15.536 -5.659 0.298 1.00 0.91 H new ATOM 1052 N PHE A 121 10.983 -5.836 -7.376 1.00 0.48 N ATOM 1053 CA PHE A 121 9.914 -5.928 -8.410 1.00 0.57 C ATOM 1054 C PHE A 121 8.551 -6.074 -7.711 1.00 0.55 C ATOM 1055 O PHE A 121 8.427 -6.833 -6.770 1.00 0.59 O ATOM 1056 CB PHE A 121 10.166 -7.152 -9.293 1.00 0.68 C ATOM 1057 CG PHE A 121 9.253 -7.101 -10.494 1.00 1.42 C ATOM 1058 CD1 PHE A 121 7.959 -7.628 -10.414 1.00 2.33 C ATOM 1059 CD2 PHE A 121 9.701 -6.527 -11.690 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.113 -7.580 -11.527 1.00 3.43 C ATOM 1061 CE2 PHE A 121 8.855 -6.478 -12.805 1.00 3.44 C ATOM 1062 CZ PHE A 121 7.560 -7.005 -12.723 1.00 3.85 C ATOM 0 H PHE A 121 11.521 -6.689 -7.227 1.00 0.48 H new ATOM 0 HA PHE A 121 9.918 -5.029 -9.026 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.207 -7.174 -9.615 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.988 -8.066 -8.726 1.00 0.68 H new ATOM 0 HD1 PHE A 121 7.613 -8.072 -9.492 1.00 2.33 H new ATOM 0 HD2 PHE A 121 10.700 -6.122 -11.753 1.00 2.32 H new ATOM 0 HE1 PHE A 121 6.114 -7.987 -11.464 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.201 -6.034 -13.727 1.00 3.44 H new ATOM 0 HZ PHE A 121 6.906 -6.968 -13.582 1.00 3.85 H new ATOM 1072 N PRO A 122 7.530 -5.367 -8.147 1.00 0.64 N ATOM 1073 CA PRO A 122 6.181 -5.457 -7.517 1.00 0.67 C ATOM 1074 C PRO A 122 5.444 -6.741 -7.910 1.00 0.73 C ATOM 1075 O PRO A 122 4.880 -6.852 -8.980 1.00 1.19 O ATOM 1076 CB PRO A 122 5.453 -4.220 -8.054 1.00 0.80 C ATOM 1077 CG PRO A 122 6.061 -3.989 -9.399 1.00 1.05 C ATOM 1078 CD PRO A 122 7.530 -4.410 -9.274 1.00 0.87 C ATOM 0 HA PRO A 122 6.236 -5.488 -6.429 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.379 -4.391 -8.127 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.595 -3.360 -7.400 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.551 -4.574 -10.164 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.978 -2.942 -9.690 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.892 -4.873 -10.192 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.175 -3.555 -9.072 1.00 0.87 H new ATOM 1086 N ASP A 123 5.442 -7.700 -7.035 1.00 0.56 N ATOM 1087 CA ASP A 123 4.744 -8.986 -7.308 1.00 0.64 C ATOM 1088 C ASP A 123 4.353 -9.583 -5.961 1.00 0.58 C ATOM 1089 O ASP A 123 4.189 -10.778 -5.812 1.00 0.65 O ATOM 1090 CB ASP A 123 5.688 -9.938 -8.049 1.00 0.74 C ATOM 1091 CG ASP A 123 7.097 -9.810 -7.468 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.209 -9.437 -6.311 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.042 -10.087 -8.189 1.00 1.38 O ATOM 0 H ASP A 123 5.902 -7.649 -6.126 1.00 0.56 H new ATOM 0 HA ASP A 123 3.862 -8.827 -7.929 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.335 -10.965 -7.954 1.00 0.74 H new ATOM 0 HB3 ASP A 123 5.699 -9.702 -9.113 1.00 0.74 H new ATOM 1098 N TRP A 124 4.225 -8.735 -4.974 1.00 0.53 N ATOM 1099 CA TRP A 124 3.867 -9.190 -3.599 1.00 0.52 C ATOM 1100 C TRP A 124 2.659 -8.405 -3.102 1.00 0.51 C ATOM 1101 O TRP A 124 1.913 -8.847 -2.251 1.00 0.55 O ATOM 1102 CB TRP A 124 5.056 -8.916 -2.682 1.00 0.49 C ATOM 1103 CG TRP A 124 5.456 -7.480 -2.832 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.377 -7.008 -3.710 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.950 -6.321 -2.111 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.472 -5.635 -3.562 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.612 -5.166 -2.589 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.994 -6.165 -1.095 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.333 -3.899 -2.076 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.709 -4.893 -0.577 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.376 -3.762 -1.067 1.00 0.55 C ATOM 0 H TRP A 124 4.356 -7.728 -5.066 1.00 0.53 H new ATOM 0 HA TRP A 124 3.626 -10.253 -3.605 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.791 -9.129 -1.646 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.890 -9.570 -2.939 1.00 0.49 H new ATOM 0 HD1 TRP A 124 6.943 -7.606 -4.409 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.100 -5.043 -4.105 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.475 -7.030 -0.710 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.852 -3.031 -2.455 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.971 -4.785 0.204 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.151 -2.785 -0.665 1.00 0.55 H new ATOM 1122 N GLN A 125 2.478 -7.243 -3.634 1.00 0.53 N ATOM 1123 CA GLN A 125 1.331 -6.387 -3.218 1.00 0.60 C ATOM 1124 C GLN A 125 0.041 -6.895 -3.867 1.00 0.66 C ATOM 1125 O GLN A 125 -0.143 -6.794 -5.063 1.00 0.84 O ATOM 1126 CB GLN A 125 1.589 -4.945 -3.661 1.00 0.69 C ATOM 1127 CG GLN A 125 0.626 -4.004 -2.934 1.00 1.56 C ATOM 1128 CD GLN A 125 0.844 -2.573 -3.426 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.169 -2.357 -4.576 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.680 -1.578 -2.597 1.00 2.82 N ATOM 0 H GLN A 125 3.080 -6.836 -4.350 1.00 0.53 H new ATOM 0 HA GLN A 125 1.227 -6.426 -2.134 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.620 -4.666 -3.443 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.456 -4.856 -4.739 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.404 -4.309 -3.116 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.790 -4.059 -1.858 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.407 -1.759 -1.631 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.825 -0.620 -2.915 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.855 -7.435 -3.086 1.00 0.64 N ATOM 1140 CA ASN A 126 -2.136 -7.943 -3.656 1.00 0.72 C ATOM 1141 C ASN A 126 -3.198 -7.984 -2.553 1.00 0.69 C ATOM 1142 O ASN A 126 -2.917 -7.728 -1.398 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.924 -9.349 -4.222 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.842 -9.307 -5.304 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -1.098 -8.904 -6.421 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.367 -9.708 -5.017 1.00 0.88 N ATOM 0 H ASN A 126 -0.755 -7.546 -2.077 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.468 -7.282 -4.456 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.630 -10.033 -3.425 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.856 -9.729 -4.640 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.096 -9.683 -5.730 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.583 -10.047 -4.079 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.420 -8.300 -2.895 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.501 -8.344 -1.865 1.00 0.61 C ATOM 1155 C TYR A 127 -6.685 -9.150 -2.409 1.00 0.63 C ATOM 1156 O TYR A 127 -6.698 -9.559 -3.554 1.00 0.75 O ATOM 1157 CB TYR A 127 -6.002 -6.919 -1.547 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.849 -5.951 -1.399 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.283 -5.357 -2.534 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.357 -5.635 -0.126 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.225 -4.451 -2.397 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.299 -4.730 0.010 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.732 -4.139 -1.125 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.690 -3.245 -0.990 1.00 1.48 O ATOM 0 H TYR A 127 -4.716 -8.530 -3.844 1.00 0.69 H new ATOM 0 HA TYR A 127 -5.099 -8.803 -0.962 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.665 -6.579 -2.342 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.587 -6.934 -0.628 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.663 -5.598 -3.516 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.794 -6.090 0.750 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.789 -3.993 -3.273 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.919 -4.487 0.992 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.470 -3.140 -0.041 1.00 1.48 H new ATOM 1174 N THR A 128 -7.684 -9.369 -1.598 1.00 0.62 N ATOM 1175 CA THR A 128 -8.877 -10.134 -2.066 1.00 0.68 C ATOM 1176 C THR A 128 -9.495 -9.384 -3.259 1.00 0.75 C ATOM 1177 O THR A 128 -9.284 -8.202 -3.406 1.00 0.97 O ATOM 1178 CB THR A 128 -9.892 -10.220 -0.908 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.780 -9.054 -0.104 1.00 1.22 O ATOM 1180 CG2 THR A 128 -9.603 -11.455 -0.050 1.00 0.90 C ATOM 0 H THR A 128 -7.726 -9.051 -0.630 1.00 0.62 H new ATOM 0 HA THR A 128 -8.599 -11.142 -2.375 1.00 0.68 H new ATOM 0 HB THR A 128 -10.900 -10.296 -1.317 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.701 -9.313 0.838 1.00 1.22 H new ATOM 0 HG21 THR A 128 -10.324 -11.508 0.766 1.00 0.90 H new ATOM 0 HG22 THR A 128 -9.683 -12.352 -0.664 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.596 -11.385 0.361 1.00 0.90 H new ATOM 1188 N PRO A 129 -10.242 -10.071 -4.105 1.00 0.88 N ATOM 1189 CA PRO A 129 -10.901 -9.467 -5.312 1.00 1.15 C ATOM 1190 C PRO A 129 -11.368 -8.015 -5.116 1.00 1.51 C ATOM 1191 O PRO A 129 -10.575 -7.122 -4.895 1.00 2.29 O ATOM 1192 CB PRO A 129 -12.085 -10.407 -5.537 1.00 1.51 C ATOM 1193 CG PRO A 129 -11.566 -11.755 -5.146 1.00 1.27 C ATOM 1194 CD PRO A 129 -10.545 -11.516 -4.016 1.00 1.09 C ATOM 0 HA PRO A 129 -10.214 -9.389 -6.154 1.00 1.15 H new ATOM 0 HB2 PRO A 129 -12.943 -10.119 -4.929 1.00 1.51 H new ATOM 0 HB3 PRO A 129 -12.412 -10.393 -6.577 1.00 1.51 H new ATOM 0 HG2 PRO A 129 -12.377 -12.400 -4.807 1.00 1.27 H new ATOM 0 HG3 PRO A 129 -11.097 -12.252 -5.995 1.00 1.27 H new ATOM 0 HD2 PRO A 129 -10.959 -11.777 -3.042 1.00 1.09 H new ATOM 0 HD3 PRO A 129 -9.649 -12.121 -4.154 1.00 1.09 H new ATOM 1202 N GLY A 130 -12.645 -7.767 -5.233 1.00 1.64 N ATOM 1203 CA GLY A 130 -13.173 -6.370 -5.080 1.00 2.18 C ATOM 1204 C GLY A 130 -14.292 -6.300 -4.025 1.00 1.76 C ATOM 1205 O GLY A 130 -15.291 -5.642 -4.238 1.00 1.92 O ATOM 0 H GLY A 130 -13.354 -8.474 -5.429 1.00 1.64 H new ATOM 0 HA2 GLY A 130 -12.360 -5.702 -4.794 1.00 2.18 H new ATOM 0 HA3 GLY A 130 -13.553 -6.017 -6.039 1.00 2.18 H new ATOM 1209 N PRO A 131 -14.134 -6.939 -2.886 1.00 1.94 N ATOM 1210 CA PRO A 131 -15.161 -6.891 -1.801 1.00 2.04 C ATOM 1211 C PRO A 131 -15.023 -5.618 -0.956 1.00 1.43 C ATOM 1212 O PRO A 131 -14.152 -4.804 -1.190 1.00 1.44 O ATOM 1213 CB PRO A 131 -14.820 -8.121 -0.962 1.00 2.91 C ATOM 1214 CG PRO A 131 -13.334 -8.219 -1.062 1.00 3.25 C ATOM 1215 CD PRO A 131 -12.984 -7.781 -2.489 1.00 2.75 C ATOM 0 HA PRO A 131 -16.182 -6.883 -2.183 1.00 2.04 H new ATOM 0 HB2 PRO A 131 -15.144 -8.003 0.072 1.00 2.91 H new ATOM 0 HB3 PRO A 131 -15.307 -9.016 -1.348 1.00 2.91 H new ATOM 0 HG2 PRO A 131 -12.849 -7.578 -0.326 1.00 3.25 H new ATOM 0 HG3 PRO A 131 -12.995 -9.237 -0.871 1.00 3.25 H new ATOM 0 HD2 PRO A 131 -12.049 -7.222 -2.519 1.00 2.75 H new ATOM 0 HD3 PRO A 131 -12.865 -8.637 -3.153 1.00 2.75 H new ATOM 1223 N GLY A 132 -15.853 -5.449 0.037 1.00 1.58 N ATOM 1224 CA GLY A 132 -15.730 -4.238 0.897 1.00 1.44 C ATOM 1225 C GLY A 132 -14.353 -4.265 1.558 1.00 1.21 C ATOM 1226 O GLY A 132 -13.370 -3.850 0.978 1.00 1.21 O ATOM 0 H GLY A 132 -16.605 -6.091 0.289 1.00 1.58 H new ATOM 0 HA2 GLY A 132 -15.848 -3.334 0.300 1.00 1.44 H new ATOM 0 HA3 GLY A 132 -16.515 -4.226 1.653 1.00 1.44 H new ATOM 1230 N ILE A 133 -14.266 -4.781 2.753 1.00 1.11 N ATOM 1231 CA ILE A 133 -12.942 -4.869 3.429 1.00 0.94 C ATOM 1232 C ILE A 133 -11.997 -5.648 2.505 1.00 0.92 C ATOM 1233 O ILE A 133 -12.442 -6.328 1.604 1.00 1.52 O ATOM 1234 CB ILE A 133 -13.106 -5.619 4.764 1.00 0.99 C ATOM 1235 CG1 ILE A 133 -14.383 -5.141 5.472 1.00 1.14 C ATOM 1236 CG2 ILE A 133 -11.893 -5.366 5.672 1.00 0.98 C ATOM 1237 CD1 ILE A 133 -14.401 -3.610 5.539 1.00 1.56 C ATOM 0 H ILE A 133 -15.053 -5.145 3.290 1.00 1.11 H new ATOM 0 HA ILE A 133 -12.539 -3.876 3.630 1.00 0.94 H new ATOM 0 HB ILE A 133 -13.178 -6.687 4.559 1.00 0.99 H new ATOM 0 HG12 ILE A 133 -15.262 -5.501 4.937 1.00 1.14 H new ATOM 0 HG13 ILE A 133 -14.429 -5.558 6.478 1.00 1.14 H new ATOM 0 HG21 ILE A 133 -12.024 -5.903 6.612 1.00 0.98 H new ATOM 0 HG22 ILE A 133 -10.988 -5.717 5.176 1.00 0.98 H new ATOM 0 HG23 ILE A 133 -11.805 -4.298 5.873 1.00 0.98 H new ATOM 0 HD11 ILE A 133 -15.309 -3.278 6.042 1.00 1.56 H new ATOM 0 HD12 ILE A 133 -13.530 -3.260 6.094 1.00 1.56 H new ATOM 0 HD13 ILE A 133 -14.376 -3.201 4.529 1.00 1.56 H new ATOM 1249 N ARG A 134 -10.707 -5.570 2.703 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.785 -6.330 1.801 1.00 0.49 C ATOM 1251 C ARG A 134 -8.426 -6.520 2.487 1.00 0.40 C ATOM 1252 O ARG A 134 -7.672 -5.584 2.703 1.00 0.38 O ATOM 1253 CB ARG A 134 -9.619 -5.579 0.463 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.819 -4.079 0.679 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.550 -3.332 -0.629 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.179 -3.653 -1.118 1.00 1.86 N ATOM 1257 CZ ARG A 134 -7.849 -3.381 -2.351 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.719 -2.831 -3.154 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -6.648 -3.660 -2.782 1.00 3.36 N ATOM 0 H ARG A 134 -10.256 -5.024 3.436 1.00 0.51 H new ATOM 0 HA ARG A 134 -10.211 -7.312 1.595 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.627 -5.767 0.051 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -10.341 -5.950 -0.264 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.836 -3.883 1.019 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.147 -3.721 1.459 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -10.289 -3.614 -1.379 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -9.649 -2.258 -0.472 1.00 1.37 H new ATOM 0 HE ARG A 134 -7.500 -4.084 -0.490 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.657 -2.614 -2.818 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.461 -2.619 -4.118 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -5.968 -4.090 -2.155 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -6.390 -3.448 -3.746 1.00 3.36 H new ATOM 1273 N TYR A 135 -8.131 -7.750 2.829 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.849 -8.086 3.507 1.00 0.39 C ATOM 1275 C TYR A 135 -5.775 -8.390 2.448 1.00 0.36 C ATOM 1276 O TYR A 135 -6.089 -8.858 1.369 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.059 -9.348 4.359 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.140 -9.120 5.397 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.484 -9.027 5.008 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.798 -9.018 6.753 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.480 -8.833 5.972 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.796 -8.821 7.715 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.137 -8.729 7.324 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.120 -8.540 8.274 1.00 1.17 O ATOM 0 H TYR A 135 -8.741 -8.550 2.661 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.533 -7.249 4.129 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.335 -10.184 3.717 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.126 -9.619 4.852 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.751 -9.105 3.964 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.764 -9.091 7.056 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.515 -8.763 5.671 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.531 -8.740 8.759 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.870 -9.003 9.101 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.515 -8.164 2.752 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.402 -8.465 1.803 1.00 0.38 C ATOM 1296 C PRO A 136 -3.113 -9.970 1.758 1.00 0.37 C ATOM 1297 O PRO A 136 -2.966 -10.610 2.781 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.215 -7.696 2.391 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.479 -7.671 3.861 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.003 -7.594 4.017 1.00 0.44 C ATOM 0 HA PRO A 136 -3.628 -8.177 0.776 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.270 -8.191 2.165 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.153 -6.688 1.981 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.082 -8.564 4.344 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.995 -6.814 4.330 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.346 -8.164 4.881 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.340 -6.567 4.158 1.00 0.44 H new ATOM 1308 N LEU A 137 -3.047 -10.545 0.590 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.784 -12.010 0.506 1.00 0.43 C ATOM 1310 C LEU A 137 -1.408 -12.330 1.097 1.00 0.41 C ATOM 1311 O LEU A 137 -1.266 -13.229 1.902 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.828 -12.466 -0.956 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.265 -12.362 -1.503 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.228 -12.314 -3.032 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.099 -13.578 -1.071 1.00 0.92 C ATOM 0 H LEU A 137 -3.163 -10.069 -0.305 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.552 -12.537 1.073 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.157 -11.852 -1.557 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.475 -13.494 -1.035 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.719 -11.454 -1.105 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.245 -12.240 -3.418 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.653 -11.446 -3.355 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.760 -13.221 -3.413 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.110 -13.485 -1.467 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.641 -14.489 -1.456 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.139 -13.624 0.017 1.00 0.92 H new ATOM 1327 N THR A 138 -0.393 -11.611 0.706 1.00 0.50 N ATOM 1328 CA THR A 138 0.964 -11.892 1.252 1.00 0.55 C ATOM 1329 C THR A 138 0.979 -11.604 2.754 1.00 0.47 C ATOM 1330 O THR A 138 0.250 -10.767 3.248 1.00 0.50 O ATOM 1331 CB THR A 138 2.006 -11.010 0.542 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.419 -9.757 0.220 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.482 -11.694 -0.742 1.00 1.04 C ATOM 0 H THR A 138 -0.444 -10.844 0.035 1.00 0.50 H new ATOM 0 HA THR A 138 1.211 -12.940 1.082 1.00 0.55 H new ATOM 0 HB THR A 138 2.859 -10.859 1.203 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.463 -9.614 -0.749 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.219 -11.063 -1.238 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.933 -12.655 -0.496 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.633 -11.851 -1.407 1.00 1.04 H new ATOM 1341 N PHE A 139 1.814 -12.296 3.480 1.00 0.51 N ATOM 1342 CA PHE A 139 1.900 -12.079 4.957 1.00 0.49 C ATOM 1343 C PHE A 139 3.061 -11.132 5.266 1.00 0.65 C ATOM 1344 O PHE A 139 3.980 -10.985 4.486 1.00 1.43 O ATOM 1345 CB PHE A 139 2.140 -13.420 5.654 1.00 0.52 C ATOM 1346 CG PHE A 139 2.116 -13.223 7.151 1.00 0.50 C ATOM 1347 CD1 PHE A 139 0.897 -13.221 7.840 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.314 -13.043 7.850 1.00 0.59 C ATOM 1349 CE1 PHE A 139 0.878 -13.041 9.229 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.296 -12.863 9.239 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.078 -12.862 9.929 1.00 0.66 C ATOM 0 H PHE A 139 2.446 -13.008 3.113 1.00 0.51 H new ATOM 0 HA PHE A 139 0.968 -11.642 5.316 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.374 -14.137 5.359 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.100 -13.835 5.347 1.00 0.52 H new ATOM 0 HD1 PHE A 139 -0.028 -13.358 7.301 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.254 -13.043 7.318 1.00 0.59 H new ATOM 0 HE1 PHE A 139 -0.062 -13.040 9.760 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.222 -12.725 9.778 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.064 -12.723 11.000 1.00 0.66 H new ATOM 1361 N GLY A 140 3.024 -10.486 6.401 1.00 0.46 N ATOM 1362 CA GLY A 140 4.122 -9.544 6.773 1.00 0.43 C ATOM 1363 C GLY A 140 3.726 -8.124 6.368 1.00 0.35 C ATOM 1364 O GLY A 140 4.014 -7.165 7.056 1.00 0.32 O ATOM 0 H GLY A 140 2.277 -10.570 7.090 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.309 -9.590 7.846 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.048 -9.832 6.276 1.00 0.43 H new ATOM 1368 N TRP A 141 3.055 -7.985 5.260 1.00 0.34 N ATOM 1369 CA TRP A 141 2.625 -6.631 4.811 1.00 0.29 C ATOM 1370 C TRP A 141 1.454 -6.198 5.688 1.00 0.32 C ATOM 1371 O TRP A 141 0.334 -6.643 5.527 1.00 0.40 O ATOM 1372 CB TRP A 141 2.222 -6.708 3.334 1.00 0.33 C ATOM 1373 CG TRP A 141 1.978 -5.347 2.752 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.849 -5.001 2.092 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.843 -4.161 2.726 1.00 0.28 C ATOM 1376 NE1 TRP A 141 0.958 -3.693 1.664 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.159 -3.129 2.033 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.133 -3.872 3.228 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.725 -1.869 1.844 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.701 -2.601 3.036 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.000 -1.603 2.347 1.00 0.33 C ATOM 0 H TRP A 141 2.785 -8.752 4.644 1.00 0.34 H new ATOM 0 HA TRP A 141 3.428 -5.900 4.906 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.007 -7.210 2.769 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.321 -7.313 3.234 1.00 0.33 H new ATOM 0 HD1 TRP A 141 -0.002 -5.645 1.926 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.235 -3.203 1.137 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.685 -4.632 3.762 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.180 -1.103 1.312 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.687 -2.392 3.423 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.445 -0.629 2.205 1.00 0.33 H new ATOM 1392 N CYS A 142 1.729 -5.368 6.657 1.00 0.31 N ATOM 1393 CA CYS A 142 0.674 -4.932 7.606 1.00 0.40 C ATOM 1394 C CYS A 142 -0.173 -3.794 7.047 1.00 0.39 C ATOM 1395 O CYS A 142 -0.384 -2.797 7.710 1.00 0.48 O ATOM 1396 CB CYS A 142 1.344 -4.466 8.880 1.00 0.47 C ATOM 1397 SG CYS A 142 2.289 -2.958 8.553 1.00 1.45 S ATOM 0 H CYS A 142 2.652 -4.971 6.831 1.00 0.31 H new ATOM 0 HA CYS A 142 0.010 -5.777 7.788 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.595 -4.278 9.649 1.00 0.47 H new ATOM 0 HB3 CYS A 142 2.004 -5.245 9.262 1.00 0.47 H new ATOM 0 HG CYS A 142 1.521 -2.081 7.977 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.674 -3.935 5.856 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.536 -2.860 5.261 1.00 0.40 C ATOM 1405 C TYR A 143 -2.881 -3.468 4.859 1.00 0.43 C ATOM 1406 O TYR A 143 -2.952 -4.371 4.048 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.833 -2.268 4.032 1.00 0.55 C ATOM 1408 CG TYR A 143 0.108 -1.166 4.467 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.378 0.134 4.635 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.457 -1.446 4.704 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.486 1.158 5.042 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.321 -0.422 5.111 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.836 0.879 5.279 1.00 3.52 C ATOM 1414 OH TYR A 143 2.688 1.887 5.680 1.00 4.57 O ATOM 0 H TYR A 143 -0.528 -4.749 5.259 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.703 -2.066 5.989 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.279 -3.047 3.507 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.571 -1.875 3.333 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.420 0.349 4.451 1.00 2.16 H new ATOM 0 HD2 TYR A 143 1.832 -2.450 4.573 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.110 2.162 5.173 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.363 -0.637 5.295 1.00 3.14 H new ATOM 0 HH TYR A 143 3.590 1.524 5.802 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.949 -2.971 5.431 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.317 -3.493 5.113 1.00 0.51 C ATOM 1426 C LYS A 144 -6.161 -2.347 4.559 1.00 0.43 C ATOM 1427 O LYS A 144 -6.443 -1.385 5.247 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.964 -4.018 6.401 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.086 -5.121 7.027 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.321 -5.181 8.541 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.796 -5.469 8.825 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.214 -6.695 8.089 1.00 2.32 N ATOM 0 H LYS A 144 -3.932 -2.215 6.115 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.252 -4.297 4.380 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.095 -3.201 7.110 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.956 -4.413 6.183 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.321 -6.085 6.576 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.034 -4.921 6.821 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -4.697 -5.957 8.985 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.030 -4.237 9.001 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.952 -5.604 9.895 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.409 -4.621 8.518 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.094 -7.065 8.502 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.373 -6.462 7.088 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.467 -7.415 8.162 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.566 -2.432 3.320 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.388 -1.331 2.736 1.00 0.37 C ATOM 1448 C LEU A 145 -8.836 -1.479 3.213 1.00 0.38 C ATOM 1449 O LEU A 145 -9.311 -2.574 3.454 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.315 -1.398 1.201 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.021 -0.718 0.698 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.608 -1.319 -0.650 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.252 0.792 0.524 1.00 0.52 C ATOM 0 H LEU A 145 -6.366 -3.209 2.691 1.00 0.40 H new ATOM 0 HA LEU A 145 -7.005 -0.364 3.062 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.339 -2.437 0.874 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.185 -0.906 0.766 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.232 -0.883 1.432 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.696 -0.836 -1.000 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.431 -2.388 -0.533 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.404 -1.161 -1.378 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.335 1.262 0.169 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.048 0.957 -0.202 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.537 1.229 1.481 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.541 -0.384 3.352 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.957 -0.452 3.822 1.00 0.50 C ATOM 1467 C VAL A 146 -11.689 0.853 3.431 1.00 0.59 C ATOM 1468 O VAL A 146 -11.258 1.927 3.802 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.978 -0.569 5.358 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.417 -0.409 5.868 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -10.437 -1.937 5.793 1.00 0.56 C ATOM 0 H VAL A 146 -9.195 0.556 3.159 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.446 -1.314 3.367 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.348 0.215 5.778 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.429 -0.492 6.955 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.800 0.568 5.575 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -13.045 -1.189 5.437 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -10.457 -2.007 6.881 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -11.057 -2.726 5.367 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.412 -2.052 5.441 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.796 0.785 2.711 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.563 2.012 2.334 1.00 0.81 C ATOM 1483 C PRO A 147 -13.804 2.933 3.541 1.00 0.91 C ATOM 1484 O PRO A 147 -13.654 2.535 4.678 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.891 1.463 1.797 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.568 0.098 1.285 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.432 -0.435 2.166 1.00 0.75 C ATOM 0 HA PRO A 147 -13.025 2.623 1.609 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.647 1.421 2.582 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -15.289 2.097 1.005 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.440 -0.554 1.339 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.263 0.137 0.239 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.812 -1.076 2.962 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.724 -1.029 1.588 1.00 0.75 H new ATOM 1495 N VAL A 148 -14.172 4.161 3.296 1.00 1.17 N ATOM 1496 CA VAL A 148 -14.421 5.114 4.418 1.00 1.29 C ATOM 1497 C VAL A 148 -15.862 4.979 4.918 1.00 1.32 C ATOM 1498 O VAL A 148 -16.630 5.921 4.905 1.00 1.88 O ATOM 1499 CB VAL A 148 -14.216 6.529 3.921 1.00 1.89 C ATOM 1500 CG1 VAL A 148 -14.144 7.491 5.109 1.00 2.07 C ATOM 1501 CG2 VAL A 148 -12.915 6.605 3.121 1.00 2.31 C ATOM 0 H VAL A 148 -14.312 4.548 2.363 1.00 1.17 H new ATOM 0 HA VAL A 148 -13.731 4.889 5.231 1.00 1.29 H new ATOM 0 HB VAL A 148 -15.053 6.811 3.282 1.00 1.89 H new ATOM 0 HG11 VAL A 148 -13.996 8.508 4.745 1.00 2.07 H new ATOM 0 HG12 VAL A 148 -15.074 7.440 5.676 1.00 2.07 H new ATOM 0 HG13 VAL A 148 -13.310 7.212 5.753 1.00 2.07 H new ATOM 0 HG21 VAL A 148 -12.767 7.624 2.763 1.00 2.31 H new ATOM 0 HG22 VAL A 148 -12.078 6.319 3.759 1.00 2.31 H new ATOM 0 HG23 VAL A 148 -12.971 5.926 2.270 1.00 2.31 H new ATOM 1511 N GLU A 149 -16.225 3.825 5.355 1.00 1.71 N ATOM 1512 CA GLU A 149 -17.613 3.619 5.863 1.00 2.15 C ATOM 1513 C GLU A 149 -17.832 4.366 7.192 1.00 2.52 C ATOM 1514 O GLU A 149 -18.900 4.892 7.434 1.00 2.96 O ATOM 1515 CB GLU A 149 -17.908 2.119 6.047 1.00 3.00 C ATOM 1516 CG GLU A 149 -17.191 1.317 4.960 1.00 3.61 C ATOM 1517 CD GLU A 149 -17.620 -0.148 5.042 1.00 4.55 C ATOM 1518 OE1 GLU A 149 -17.484 -0.725 6.109 1.00 5.12 O ATOM 1519 OE2 GLU A 149 -18.078 -0.668 4.038 1.00 5.02 O ATOM 0 H GLU A 149 -15.625 3.001 5.388 1.00 1.71 H new ATOM 0 HA GLU A 149 -18.302 4.024 5.122 1.00 2.15 H new ATOM 0 HB2 GLU A 149 -17.577 1.791 7.033 1.00 3.00 H new ATOM 0 HB3 GLU A 149 -18.982 1.941 5.996 1.00 3.00 H new ATOM 0 HG2 GLU A 149 -17.429 1.723 3.977 1.00 3.61 H new ATOM 0 HG3 GLU A 149 -16.111 1.399 5.085 1.00 3.61 H new ATOM 1526 N PRO A 150 -16.844 4.415 8.047 1.00 3.13 N ATOM 1527 CA PRO A 150 -16.942 5.102 9.359 1.00 4.08 C ATOM 1528 C PRO A 150 -16.480 6.565 9.278 1.00 4.33 C ATOM 1529 O PRO A 150 -15.325 6.874 9.495 1.00 4.84 O ATOM 1530 CB PRO A 150 -16.005 4.271 10.240 1.00 4.93 C ATOM 1531 CG PRO A 150 -14.943 3.745 9.304 1.00 4.81 C ATOM 1532 CD PRO A 150 -15.517 3.821 7.871 1.00 3.63 C ATOM 0 HA PRO A 150 -17.963 5.158 9.736 1.00 4.08 H new ATOM 0 HB2 PRO A 150 -15.566 4.879 11.031 1.00 4.93 H new ATOM 0 HB3 PRO A 150 -16.541 3.455 10.725 1.00 4.93 H new ATOM 0 HG2 PRO A 150 -14.031 4.337 9.385 1.00 4.81 H new ATOM 0 HG3 PRO A 150 -14.680 2.718 9.559 1.00 4.81 H new ATOM 0 HD2 PRO A 150 -14.890 4.433 7.223 1.00 3.63 H new ATOM 0 HD3 PRO A 150 -15.580 2.833 7.414 1.00 3.63 H new ATOM 1540 N GLU A 151 -17.376 7.462 8.963 1.00 4.44 N ATOM 1541 CA GLU A 151 -16.996 8.900 8.863 1.00 5.08 C ATOM 1542 C GLU A 151 -16.480 9.393 10.216 1.00 5.48 C ATOM 1543 O GLU A 151 -17.235 9.571 11.152 1.00 5.61 O ATOM 1544 CB GLU A 151 -18.221 9.723 8.458 1.00 5.57 C ATOM 1545 CG GLU A 151 -18.774 9.198 7.132 1.00 5.87 C ATOM 1546 CD GLU A 151 -17.782 9.505 6.009 1.00 6.47 C ATOM 1547 OE1 GLU A 151 -17.326 10.634 5.939 1.00 6.96 O ATOM 1548 OE2 GLU A 151 -17.495 8.605 5.236 1.00 6.74 O ATOM 0 H GLU A 151 -18.357 7.260 8.770 1.00 4.44 H new ATOM 0 HA GLU A 151 -16.213 9.014 8.114 1.00 5.08 H new ATOM 0 HB2 GLU A 151 -18.985 9.662 9.233 1.00 5.57 H new ATOM 0 HB3 GLU A 151 -17.950 10.774 8.360 1.00 5.57 H new ATOM 0 HG2 GLU A 151 -18.945 8.123 7.197 1.00 5.87 H new ATOM 0 HG3 GLU A 151 -19.737 9.662 6.918 1.00 5.87 H new ATOM 1555 N LYS A 152 -15.198 9.622 10.329 1.00 6.06 N ATOM 1556 CA LYS A 152 -14.637 10.108 11.620 1.00 6.80 C ATOM 1557 C LYS A 152 -14.759 11.632 11.679 1.00 7.18 C ATOM 1558 O LYS A 152 -15.836 12.184 11.580 1.00 7.59 O ATOM 1559 CB LYS A 152 -13.161 9.706 11.719 1.00 7.59 C ATOM 1560 CG LYS A 152 -13.016 8.205 11.456 1.00 7.87 C ATOM 1561 CD LYS A 152 -11.530 7.833 11.407 1.00 8.73 C ATOM 1562 CE LYS A 152 -10.874 8.103 12.768 1.00 9.22 C ATOM 1563 NZ LYS A 152 -9.653 7.259 12.904 1.00 9.63 N ATOM 0 H LYS A 152 -14.516 9.493 9.581 1.00 6.06 H new ATOM 0 HA LYS A 152 -15.187 9.665 12.450 1.00 6.80 H new ATOM 0 HB2 LYS A 152 -12.571 10.270 10.996 1.00 7.59 H new ATOM 0 HB3 LYS A 152 -12.773 9.951 12.708 1.00 7.59 H new ATOM 0 HG2 LYS A 152 -13.518 7.638 12.240 1.00 7.87 H new ATOM 0 HG3 LYS A 152 -13.498 7.942 10.515 1.00 7.87 H new ATOM 0 HD2 LYS A 152 -11.419 6.781 11.143 1.00 8.73 H new ATOM 0 HD3 LYS A 152 -11.028 8.411 10.631 1.00 8.73 H new ATOM 0 HE2 LYS A 152 -10.612 9.158 12.855 1.00 9.22 H new ATOM 0 HE3 LYS A 152 -11.575 7.881 13.573 1.00 9.22 H new ATOM 0 HZ1 LYS A 152 -9.207 7.440 13.826 1.00 9.63 H new ATOM 0 HZ2 LYS A 152 -9.916 6.255 12.838 1.00 9.63 H new ATOM 0 HZ3 LYS A 152 -8.983 7.492 12.143 1.00 9.63 H new ATOM 1577 N LEU A 153 -13.660 12.314 11.838 1.00 7.34 N ATOM 1578 CA LEU A 153 -13.700 13.803 11.903 1.00 7.98 C ATOM 1579 C LEU A 153 -13.708 14.371 10.481 1.00 8.11 C ATOM 1580 O LEU A 153 -13.050 13.861 9.596 1.00 8.31 O ATOM 1581 CB LEU A 153 -12.462 14.319 12.647 1.00 8.45 C ATOM 1582 CG LEU A 153 -12.601 14.083 14.162 1.00 8.93 C ATOM 1583 CD1 LEU A 153 -13.714 14.971 14.755 1.00 9.23 C ATOM 1584 CD2 LEU A 153 -12.920 12.606 14.429 1.00 9.46 C ATOM 0 H LEU A 153 -12.731 11.903 11.926 1.00 7.34 H new ATOM 0 HA LEU A 153 -14.599 14.119 12.432 1.00 7.98 H new ATOM 0 HB2 LEU A 153 -11.571 13.813 12.275 1.00 8.45 H new ATOM 0 HB3 LEU A 153 -12.330 15.383 12.450 1.00 8.45 H new ATOM 0 HG LEU A 153 -11.657 14.346 14.640 1.00 8.93 H new ATOM 0 HD11 LEU A 153 -13.794 14.787 15.826 1.00 9.23 H new ATOM 0 HD12 LEU A 153 -13.472 16.020 14.584 1.00 9.23 H new ATOM 0 HD13 LEU A 153 -14.663 14.734 14.274 1.00 9.23 H new ATOM 0 HD21 LEU A 153 -13.018 12.443 15.502 1.00 9.46 H new ATOM 0 HD22 LEU A 153 -13.855 12.341 13.935 1.00 9.46 H new ATOM 0 HD23 LEU A 153 -12.114 11.984 14.039 1.00 9.46 H new ATOM 1596 N GLU A 154 -14.445 15.425 10.256 1.00 8.27 N ATOM 1597 CA GLU A 154 -14.488 16.024 8.892 1.00 8.64 C ATOM 1598 C GLU A 154 -13.195 16.803 8.638 1.00 8.97 C ATOM 1599 O GLU A 154 -12.432 17.068 9.545 1.00 9.31 O ATOM 1600 CB GLU A 154 -15.686 16.971 8.786 1.00 9.08 C ATOM 1601 CG GLU A 154 -15.751 17.856 10.033 1.00 9.38 C ATOM 1602 CD GLU A 154 -16.755 18.987 9.805 1.00 9.91 C ATOM 1603 OE1 GLU A 154 -16.965 19.343 8.656 1.00 10.18 O ATOM 1604 OE2 GLU A 154 -17.296 19.479 10.781 1.00 10.25 O ATOM 0 H GLU A 154 -15.018 15.896 10.956 1.00 8.27 H new ATOM 0 HA GLU A 154 -14.587 15.232 8.150 1.00 8.64 H new ATOM 0 HB2 GLU A 154 -15.596 17.589 7.893 1.00 9.08 H new ATOM 0 HB3 GLU A 154 -16.608 16.398 8.686 1.00 9.08 H new ATOM 0 HG2 GLU A 154 -16.046 17.262 10.898 1.00 9.38 H new ATOM 0 HG3 GLU A 154 -14.766 18.268 10.251 1.00 9.38 H new ATOM 1611 N GLU A 155 -12.942 17.169 7.411 1.00 9.09 N ATOM 1612 CA GLU A 155 -11.696 17.927 7.102 1.00 9.60 C ATOM 1613 C GLU A 155 -11.845 19.373 7.589 1.00 9.70 C ATOM 1614 O GLU A 155 -12.275 19.623 8.697 1.00 10.09 O ATOM 1615 CB GLU A 155 -11.452 17.905 5.586 1.00 10.07 C ATOM 1616 CG GLU A 155 -9.976 18.189 5.291 1.00 10.61 C ATOM 1617 CD GLU A 155 -9.791 18.419 3.790 1.00 11.03 C ATOM 1618 OE1 GLU A 155 -10.259 19.436 3.305 1.00 11.24 O ATOM 1619 OE2 GLU A 155 -9.187 17.573 3.152 1.00 11.33 O ATOM 0 H GLU A 155 -13.543 16.976 6.610 1.00 9.09 H new ATOM 0 HA GLU A 155 -10.848 17.466 7.608 1.00 9.60 H new ATOM 0 HB2 GLU A 155 -11.733 16.934 5.178 1.00 10.07 H new ATOM 0 HB3 GLU A 155 -12.079 18.650 5.097 1.00 10.07 H new ATOM 0 HG2 GLU A 155 -9.645 19.066 5.848 1.00 10.61 H new ATOM 0 HG3 GLU A 155 -9.361 17.352 5.620 1.00 10.61 H new ATOM 1626 N ALA A 156 -11.489 20.329 6.768 1.00 9.56 N ATOM 1627 CA ALA A 156 -11.604 21.764 7.178 1.00 9.82 C ATOM 1628 C ALA A 156 -12.897 22.358 6.615 1.00 9.59 C ATOM 1629 O ALA A 156 -13.881 21.667 6.433 1.00 9.64 O ATOM 1630 CB ALA A 156 -10.409 22.544 6.627 1.00 9.95 C ATOM 0 H ALA A 156 -11.122 20.178 5.828 1.00 9.56 H new ATOM 0 HA ALA A 156 -11.618 21.830 8.266 1.00 9.82 H new ATOM 0 HB1 ALA A 156 -10.489 23.590 6.924 1.00 9.95 H new ATOM 0 HB2 ALA A 156 -9.485 22.124 7.025 1.00 9.95 H new ATOM 0 HB3 ALA A 156 -10.400 22.475 5.539 1.00 9.95 H new ATOM 1636 N ASN A 157 -12.903 23.633 6.336 1.00 9.56 N ATOM 1637 CA ASN A 157 -14.132 24.271 5.783 1.00 9.52 C ATOM 1638 C ASN A 157 -14.537 23.559 4.492 1.00 9.04 C ATOM 1639 O ASN A 157 -15.481 22.794 4.462 1.00 9.05 O ATOM 1640 CB ASN A 157 -13.856 25.745 5.483 1.00 10.08 C ATOM 1641 CG ASN A 157 -13.541 26.486 6.784 1.00 10.54 C ATOM 1642 OD1 ASN A 157 -13.996 26.101 7.843 1.00 10.93 O ATOM 1643 ND2 ASN A 157 -12.776 27.542 6.748 1.00 10.75 N ATOM 0 H ASN A 157 -12.110 24.261 6.467 1.00 9.56 H new ATOM 0 HA ASN A 157 -14.938 24.194 6.513 1.00 9.52 H new ATOM 0 HB2 ASN A 157 -13.019 25.835 4.790 1.00 10.08 H new ATOM 0 HB3 ASN A 157 -14.721 26.195 4.997 1.00 10.08 H new ATOM 0 HD21 ASN A 157 -12.560 28.045 7.609 1.00 10.75 H new ATOM 0 HD22 ASN A 157 -12.394 27.865 5.859 1.00 10.75 H new ATOM 1650 N LYS A 158 -13.830 23.802 3.421 1.00 8.83 N ATOM 1651 CA LYS A 158 -14.179 23.134 2.136 1.00 8.52 C ATOM 1652 C LYS A 158 -13.874 21.639 2.252 1.00 8.03 C ATOM 1653 O LYS A 158 -12.735 21.220 2.190 1.00 8.18 O ATOM 1654 CB LYS A 158 -13.359 23.743 0.985 1.00 8.88 C ATOM 1655 CG LYS A 158 -11.902 24.017 1.437 1.00 9.31 C ATOM 1656 CD LYS A 158 -11.732 25.494 1.827 1.00 9.87 C ATOM 1657 CE LYS A 158 -10.418 25.677 2.592 1.00 10.59 C ATOM 1658 NZ LYS A 158 -10.584 25.188 3.989 1.00 10.96 N ATOM 0 H LYS A 158 -13.029 24.432 3.381 1.00 8.83 H new ATOM 0 HA LYS A 158 -15.239 23.280 1.927 1.00 8.52 H new ATOM 0 HB2 LYS A 158 -13.359 23.064 0.132 1.00 8.88 H new ATOM 0 HB3 LYS A 158 -13.823 24.672 0.653 1.00 8.88 H new ATOM 0 HG2 LYS A 158 -11.651 23.379 2.284 1.00 9.31 H new ATOM 0 HG3 LYS A 158 -11.211 23.765 0.633 1.00 9.31 H new ATOM 0 HD2 LYS A 158 -11.734 26.119 0.934 1.00 9.87 H new ATOM 0 HD3 LYS A 158 -12.571 25.816 2.444 1.00 9.87 H new ATOM 0 HE2 LYS A 158 -9.617 25.129 2.096 1.00 10.59 H new ATOM 0 HE3 LYS A 158 -10.130 26.728 2.595 1.00 10.59 H new ATOM 0 HZ1 LYS A 158 -9.673 24.833 4.343 1.00 10.96 H new ATOM 0 HZ2 LYS A 158 -10.910 25.969 4.594 1.00 10.96 H new ATOM 0 HZ3 LYS A 158 -11.285 24.420 4.007 1.00 10.96 H new ATOM 1672 N ASP A 174 -14.886 20.830 2.420 1.00 7.70 N ATOM 1673 CA ASP A 174 -14.661 19.360 2.540 1.00 7.46 C ATOM 1674 C ASP A 174 -14.741 18.723 1.151 1.00 6.93 C ATOM 1675 O ASP A 174 -15.271 19.301 0.223 1.00 7.21 O ATOM 1676 CB ASP A 174 -15.740 18.754 3.440 1.00 7.83 C ATOM 1677 CG ASP A 174 -15.409 17.287 3.719 1.00 8.11 C ATOM 1678 OD1 ASP A 174 -15.742 16.458 2.889 1.00 8.38 O ATOM 1679 OD2 ASP A 174 -14.829 17.019 4.758 1.00 8.32 O ATOM 0 H ASP A 174 -15.861 21.125 2.479 1.00 7.70 H new ATOM 0 HA ASP A 174 -13.678 19.173 2.973 1.00 7.46 H new ATOM 0 HB2 ASP A 174 -15.801 19.308 4.377 1.00 7.83 H new ATOM 0 HB3 ASP A 174 -16.715 18.833 2.960 1.00 7.83 H new ATOM 1684 N ASP A 175 -14.218 17.537 0.999 1.00 6.43 N ATOM 1685 CA ASP A 175 -14.264 16.864 -0.331 1.00 6.11 C ATOM 1686 C ASP A 175 -15.618 16.158 -0.489 1.00 5.51 C ATOM 1687 O ASP A 175 -16.227 15.765 0.486 1.00 5.46 O ATOM 1688 CB ASP A 175 -13.134 15.831 -0.403 1.00 6.61 C ATOM 1689 CG ASP A 175 -13.047 15.082 0.927 1.00 7.27 C ATOM 1690 OD1 ASP A 175 -12.695 15.707 1.915 1.00 7.57 O ATOM 1691 OD2 ASP A 175 -13.333 13.897 0.937 1.00 7.70 O ATOM 0 H ASP A 175 -13.760 17.004 1.739 1.00 6.43 H new ATOM 0 HA ASP A 175 -14.142 17.597 -1.128 1.00 6.11 H new ATOM 0 HB2 ASP A 175 -13.318 15.130 -1.217 1.00 6.61 H new ATOM 0 HB3 ASP A 175 -12.187 16.326 -0.617 1.00 6.61 H new ATOM 1696 N PRO A 176 -16.094 15.993 -1.702 1.00 5.43 N ATOM 1697 CA PRO A 176 -17.403 15.318 -1.957 1.00 5.29 C ATOM 1698 C PRO A 176 -17.399 13.864 -1.461 1.00 4.96 C ATOM 1699 O PRO A 176 -16.495 13.438 -0.770 1.00 4.91 O ATOM 1700 CB PRO A 176 -17.571 15.388 -3.489 1.00 5.76 C ATOM 1701 CG PRO A 176 -16.193 15.626 -4.028 1.00 6.11 C ATOM 1702 CD PRO A 176 -15.453 16.425 -2.957 1.00 5.94 C ATOM 0 HA PRO A 176 -18.224 15.798 -1.424 1.00 5.29 H new ATOM 0 HB2 PRO A 176 -17.992 14.462 -3.881 1.00 5.76 H new ATOM 0 HB3 PRO A 176 -18.249 16.192 -3.774 1.00 5.76 H new ATOM 0 HG2 PRO A 176 -15.686 14.683 -4.231 1.00 6.11 H new ATOM 0 HG3 PRO A 176 -16.232 16.176 -4.968 1.00 6.11 H new ATOM 0 HD2 PRO A 176 -14.385 16.206 -2.959 1.00 5.94 H new ATOM 0 HD3 PRO A 176 -15.558 17.499 -3.113 1.00 5.94 H new ATOM 1710 N GLU A 177 -18.405 13.104 -1.801 1.00 5.10 N ATOM 1711 CA GLU A 177 -18.456 11.686 -1.341 1.00 5.19 C ATOM 1712 C GLU A 177 -17.544 10.828 -2.225 1.00 4.50 C ATOM 1713 O GLU A 177 -17.689 9.624 -2.300 1.00 4.75 O ATOM 1714 CB GLU A 177 -19.902 11.174 -1.425 1.00 6.10 C ATOM 1715 CG GLU A 177 -20.082 9.965 -0.500 1.00 6.79 C ATOM 1716 CD GLU A 177 -21.546 9.521 -0.519 1.00 7.52 C ATOM 1717 OE1 GLU A 177 -22.400 10.348 -0.245 1.00 7.81 O ATOM 1718 OE2 GLU A 177 -21.788 8.361 -0.808 1.00 8.01 O ATOM 0 H GLU A 177 -19.192 13.403 -2.376 1.00 5.10 H new ATOM 0 HA GLU A 177 -18.113 11.623 -0.308 1.00 5.19 H new ATOM 0 HB2 GLU A 177 -20.595 11.966 -1.141 1.00 6.10 H new ATOM 0 HB3 GLU A 177 -20.139 10.896 -2.452 1.00 6.10 H new ATOM 0 HG2 GLU A 177 -19.439 9.147 -0.824 1.00 6.79 H new ATOM 0 HG3 GLU A 177 -19.782 10.223 0.516 1.00 6.79 H new ATOM 1725 N ARG A 178 -16.600 11.435 -2.890 1.00 3.95 N ATOM 1726 CA ARG A 178 -15.679 10.652 -3.760 1.00 3.61 C ATOM 1727 C ARG A 178 -14.616 9.979 -2.886 1.00 3.28 C ATOM 1728 O ARG A 178 -13.445 9.974 -3.208 1.00 3.07 O ATOM 1729 CB ARG A 178 -15.000 11.589 -4.761 1.00 3.75 C ATOM 1730 CG ARG A 178 -16.062 12.276 -5.631 1.00 4.06 C ATOM 1731 CD ARG A 178 -16.791 11.243 -6.506 1.00 4.58 C ATOM 1732 NE ARG A 178 -17.961 10.701 -5.759 1.00 5.19 N ATOM 1733 CZ ARG A 178 -18.891 10.043 -6.393 1.00 5.87 C ATOM 1734 NH1 ARG A 178 -18.795 9.857 -7.681 1.00 6.06 N ATOM 1735 NH2 ARG A 178 -19.917 9.572 -5.739 1.00 6.66 N ATOM 0 H ARG A 178 -16.427 12.440 -2.868 1.00 3.95 H new ATOM 0 HA ARG A 178 -16.243 9.893 -4.303 1.00 3.61 H new ATOM 0 HB2 ARG A 178 -14.411 12.337 -4.231 1.00 3.75 H new ATOM 0 HB3 ARG A 178 -14.310 11.026 -5.390 1.00 3.75 H new ATOM 0 HG2 ARG A 178 -16.780 12.795 -4.996 1.00 4.06 H new ATOM 0 HG3 ARG A 178 -15.591 13.029 -6.263 1.00 4.06 H new ATOM 0 HD2 ARG A 178 -17.122 11.706 -7.436 1.00 4.58 H new ATOM 0 HD3 ARG A 178 -16.112 10.435 -6.776 1.00 4.58 H new ATOM 0 HE ARG A 178 -18.034 10.845 -4.752 1.00 5.19 H new ATOM 0 HH11 ARG A 178 -17.993 10.226 -8.191 1.00 6.06 H new ATOM 0 HH12 ARG A 178 -19.522 9.342 -8.178 1.00 6.06 H new ATOM 0 HH21 ARG A 178 -19.991 9.719 -4.732 1.00 6.66 H new ATOM 0 HH22 ARG A 178 -20.645 9.057 -6.234 1.00 6.66 H new ATOM 1749 N GLU A 179 -15.019 9.417 -1.780 1.00 3.66 N ATOM 1750 CA GLU A 179 -14.040 8.749 -0.876 1.00 3.59 C ATOM 1751 C GLU A 179 -13.639 7.389 -1.458 1.00 2.48 C ATOM 1752 O GLU A 179 -14.470 6.536 -1.697 1.00 2.75 O ATOM 1753 CB GLU A 179 -14.683 8.552 0.497 1.00 4.67 C ATOM 1754 CG GLU A 179 -14.854 9.912 1.180 1.00 5.63 C ATOM 1755 CD GLU A 179 -15.648 9.734 2.474 1.00 6.37 C ATOM 1756 OE1 GLU A 179 -16.681 9.085 2.428 1.00 6.71 O ATOM 1757 OE2 GLU A 179 -15.211 10.250 3.490 1.00 6.87 O ATOM 0 H GLU A 179 -15.988 9.391 -1.462 1.00 3.66 H new ATOM 0 HA GLU A 179 -13.149 9.369 -0.780 1.00 3.59 H new ATOM 0 HB2 GLU A 179 -15.651 8.062 0.390 1.00 4.67 H new ATOM 0 HB3 GLU A 179 -14.062 7.900 1.111 1.00 4.67 H new ATOM 0 HG2 GLU A 179 -13.879 10.348 1.396 1.00 5.63 H new ATOM 0 HG3 GLU A 179 -15.372 10.603 0.515 1.00 5.63 H new ATOM 1764 N VAL A 180 -12.367 7.187 -1.697 1.00 1.65 N ATOM 1765 CA VAL A 180 -11.900 5.888 -2.274 1.00 0.77 C ATOM 1766 C VAL A 180 -11.529 4.915 -1.151 1.00 0.63 C ATOM 1767 O VAL A 180 -12.306 4.685 -0.244 1.00 0.64 O ATOM 1768 CB VAL A 180 -10.693 6.156 -3.184 1.00 1.22 C ATOM 1769 CG1 VAL A 180 -10.511 4.991 -4.168 1.00 2.08 C ATOM 1770 CG2 VAL A 180 -10.933 7.460 -3.967 1.00 1.28 C ATOM 0 H VAL A 180 -11.629 7.868 -1.517 1.00 1.65 H new ATOM 0 HA VAL A 180 -12.699 5.434 -2.861 1.00 0.77 H new ATOM 0 HB VAL A 180 -9.793 6.250 -2.576 1.00 1.22 H new ATOM 0 HG11 VAL A 180 -9.653 5.188 -4.810 1.00 2.08 H new ATOM 0 HG12 VAL A 180 -10.344 4.068 -3.612 1.00 2.08 H new ATOM 0 HG13 VAL A 180 -11.407 4.889 -4.780 1.00 2.08 H new ATOM 0 HG21 VAL A 180 -10.080 7.657 -4.616 1.00 1.28 H new ATOM 0 HG22 VAL A 180 -11.834 7.360 -4.573 1.00 1.28 H new ATOM 0 HG23 VAL A 180 -11.056 8.287 -3.268 1.00 1.28 H new ATOM 1780 N LEU A 181 -10.360 4.325 -1.213 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.944 3.334 -0.152 1.00 0.52 C ATOM 1782 C LEU A 181 -8.765 3.884 0.660 1.00 0.47 C ATOM 1783 O LEU A 181 -7.853 4.472 0.119 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.504 2.026 -0.820 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.603 1.506 -1.765 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.994 0.527 -2.772 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.689 0.784 -0.960 1.00 0.87 C ATOM 0 H LEU A 181 -9.671 4.482 -1.949 1.00 0.58 H new ATOM 0 HA LEU A 181 -10.792 3.158 0.510 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.583 2.189 -1.379 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.287 1.277 -0.058 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.044 2.352 -2.292 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.773 0.160 -3.440 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.226 1.035 -3.355 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.548 -0.313 -2.239 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.462 0.420 -1.637 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.247 -0.058 -0.427 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.131 1.476 -0.243 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.783 3.694 1.962 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.666 4.205 2.830 1.00 0.45 C ATOM 1801 C GLU A 182 -6.745 3.072 3.289 1.00 0.42 C ATOM 1802 O GLU A 182 -7.181 2.011 3.693 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.257 4.914 4.058 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.831 3.881 5.035 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.761 4.575 6.033 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -10.484 5.467 5.618 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.736 4.202 7.194 1.00 1.62 O ATOM 0 H GLU A 182 -9.525 3.206 2.463 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.072 4.904 2.240 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.486 5.505 4.553 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -9.039 5.606 3.747 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.377 3.113 4.488 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.022 3.379 5.566 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.460 3.323 3.249 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.464 2.313 3.700 1.00 0.38 C ATOM 1816 C TRP A 183 -4.475 2.280 5.235 1.00 0.37 C ATOM 1817 O TRP A 183 -4.043 3.214 5.882 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.062 2.735 3.203 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.770 2.151 1.854 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.596 0.833 1.596 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.595 2.843 0.584 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.324 0.674 0.248 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.315 1.884 -0.419 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.652 4.196 0.210 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.097 2.258 -1.747 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.434 4.576 -1.124 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.158 3.609 -2.101 1.00 0.41 C ATOM 0 H TRP A 183 -5.057 4.199 2.917 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.708 1.328 3.302 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -3.002 3.822 3.153 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.306 2.407 3.916 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.659 0.037 2.323 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.151 -0.227 -0.198 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.865 4.949 0.954 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.883 1.509 -2.495 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.479 5.619 -1.399 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.993 3.907 -3.126 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.966 1.221 5.826 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.001 1.149 7.321 1.00 0.35 C ATOM 1840 C ARG A 184 -3.754 0.427 7.835 1.00 0.31 C ATOM 1841 O ARG A 184 -3.680 -0.786 7.839 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.250 0.388 7.766 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.464 0.599 9.271 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.559 -0.355 9.802 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.502 0.394 10.696 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.061 1.199 11.628 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.783 1.290 11.872 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.907 1.891 12.341 1.00 2.61 N ATOM 0 H ARG A 184 -5.343 0.406 5.342 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.025 2.160 7.728 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.120 0.738 7.211 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.139 -0.674 7.548 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.530 0.423 9.805 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.751 1.633 9.462 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.107 -0.794 8.968 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.101 -1.178 10.351 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.508 0.273 10.575 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -6.120 0.731 11.335 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -6.446 1.920 12.600 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.909 1.803 12.171 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.566 2.520 13.069 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.776 1.172 8.267 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.522 0.548 8.785 1.00 0.31 C ATOM 1864 C PHE A 185 -1.806 -0.174 10.113 1.00 0.31 C ATOM 1865 O PHE A 185 -2.463 0.351 10.989 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.486 1.658 9.000 1.00 0.40 C ATOM 1867 CG PHE A 185 0.670 1.162 9.841 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.790 0.587 9.229 1.00 0.62 C ATOM 1869 CD2 PHE A 185 0.623 1.294 11.234 1.00 0.65 C ATOM 1870 CE1 PHE A 185 2.862 0.142 10.013 1.00 0.74 C ATOM 1871 CE2 PHE A 185 1.693 0.847 12.016 1.00 0.75 C ATOM 1872 CZ PHE A 185 2.814 0.272 11.406 1.00 0.71 C ATOM 0 H PHE A 185 -2.789 2.192 8.285 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.143 -0.183 8.071 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.116 2.007 8.036 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.957 2.511 9.489 1.00 0.40 H new ATOM 0 HD1 PHE A 185 1.827 0.487 8.154 1.00 0.62 H new ATOM 0 HD2 PHE A 185 -0.240 1.741 11.705 1.00 0.65 H new ATOM 0 HE1 PHE A 185 3.727 -0.302 9.542 1.00 0.74 H new ATOM 0 HE2 PHE A 185 1.654 0.946 13.091 1.00 0.75 H new ATOM 0 HZ PHE A 185 3.641 -0.071 12.010 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.314 -1.378 10.261 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.547 -2.143 11.516 1.00 0.32 C ATOM 1884 C ASP A 186 -0.421 -3.173 11.698 1.00 0.30 C ATOM 1885 O ASP A 186 -0.633 -4.361 11.566 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.888 -2.860 11.387 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.409 -3.251 12.773 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.491 -2.377 13.620 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.718 -4.415 12.963 1.00 1.16 O ATOM 0 H ASP A 186 -0.757 -1.865 9.559 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.558 -1.476 12.378 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.609 -2.213 10.888 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.776 -3.750 10.767 1.00 0.37 H new ATOM 1894 N SER A 187 0.776 -2.713 11.980 1.00 0.33 N ATOM 1895 CA SER A 187 1.946 -3.636 12.155 1.00 0.34 C ATOM 1896 C SER A 187 1.559 -4.871 12.988 1.00 0.35 C ATOM 1897 O SER A 187 2.307 -5.824 13.066 1.00 0.37 O ATOM 1898 CB SER A 187 3.083 -2.875 12.857 1.00 0.40 C ATOM 1899 OG SER A 187 2.524 -1.907 13.735 1.00 1.32 O ATOM 0 H SER A 187 0.995 -1.724 12.098 1.00 0.33 H new ATOM 0 HA SER A 187 2.271 -3.979 11.173 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.712 -3.569 13.414 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.721 -2.389 12.119 1.00 0.40 H new ATOM 0 HG SER A 187 2.443 -1.049 13.268 1.00 1.32 H new ATOM 1905 N ARG A 188 0.412 -4.875 13.608 1.00 0.40 N ATOM 1906 CA ARG A 188 0.023 -6.065 14.417 1.00 0.46 C ATOM 1907 C ARG A 188 -0.042 -7.287 13.497 1.00 0.42 C ATOM 1908 O ARG A 188 0.095 -8.415 13.930 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.353 -5.833 15.043 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.234 -4.841 16.200 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.612 -4.632 16.832 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.556 -3.483 17.778 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.661 -2.939 18.207 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.814 -3.401 17.805 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.614 -1.935 19.038 1.00 3.87 N ATOM 0 H ARG A 188 -0.267 -4.114 13.591 1.00 0.40 H new ATOM 0 HA ARG A 188 0.756 -6.228 15.207 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.044 -5.449 14.293 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.763 -6.777 15.402 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.533 -5.217 16.945 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.838 -3.891 15.840 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.354 -4.443 16.057 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -2.923 -5.535 17.358 1.00 1.75 H new ATOM 0 HE ARG A 188 -1.654 -3.122 18.090 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.850 -4.187 17.156 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.679 -2.976 18.140 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.713 -1.575 19.353 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.478 -1.510 19.373 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.245 -7.064 12.230 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.314 -8.193 11.262 1.00 0.46 C ATOM 1931 C LEU A 189 1.043 -8.909 11.233 1.00 0.41 C ATOM 1932 O LEU A 189 1.227 -9.887 10.536 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.663 -7.625 9.861 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.807 -8.418 9.213 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.268 -7.698 7.944 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.317 -9.821 8.851 1.00 1.78 C ATOM 0 H LEU A 189 -0.367 -6.138 11.819 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.081 -8.908 11.557 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.948 -6.577 9.951 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.218 -7.662 9.220 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.638 -8.494 9.914 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.080 -8.259 7.482 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.618 -6.698 8.200 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.435 -7.624 7.245 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -2.130 -10.383 8.391 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.486 -9.746 8.150 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.986 -10.335 9.753 1.00 1.78 H new ATOM 1948 N ALA A 190 1.994 -8.424 11.984 1.00 0.37 N ATOM 1949 CA ALA A 190 3.335 -9.072 11.994 1.00 0.42 C ATOM 1950 C ALA A 190 3.265 -10.362 12.809 1.00 0.44 C ATOM 1951 O ALA A 190 4.206 -11.128 12.856 1.00 0.53 O ATOM 1952 CB ALA A 190 4.356 -8.123 12.627 1.00 0.47 C ATOM 0 H ALA A 190 1.900 -7.609 12.590 1.00 0.37 H new ATOM 0 HA ALA A 190 3.638 -9.301 10.972 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.338 -8.597 12.634 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.403 -7.201 12.048 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.056 -7.895 13.650 1.00 0.47 H new ATOM 1958 N PHE A 191 2.149 -10.611 13.449 1.00 0.42 N ATOM 1959 CA PHE A 191 2.005 -11.863 14.261 1.00 0.51 C ATOM 1960 C PHE A 191 0.613 -12.460 14.038 1.00 0.56 C ATOM 1961 O PHE A 191 0.453 -13.658 13.910 1.00 0.96 O ATOM 1962 CB PHE A 191 2.208 -11.541 15.750 1.00 0.58 C ATOM 1963 CG PHE A 191 1.010 -10.795 16.295 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -0.098 -11.508 16.768 1.00 1.98 C ATOM 1965 CD2 PHE A 191 1.007 -9.395 16.329 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -1.208 -10.824 17.275 1.00 2.87 C ATOM 1967 CE2 PHE A 191 -0.104 -8.710 16.835 1.00 2.75 C ATOM 1968 CZ PHE A 191 -1.211 -9.424 17.309 1.00 3.15 C ATOM 0 H PHE A 191 1.330 -10.002 13.445 1.00 0.42 H new ATOM 0 HA PHE A 191 2.758 -12.587 13.950 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.357 -12.463 16.311 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.108 -10.941 15.880 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.096 -12.588 16.741 1.00 1.98 H new ATOM 0 HD2 PHE A 191 1.862 -8.844 15.965 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -2.062 -11.375 17.640 1.00 2.87 H new ATOM 0 HE2 PHE A 191 -0.107 -7.630 16.860 1.00 2.75 H new ATOM 0 HZ PHE A 191 -2.067 -8.895 17.701 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.395 -11.633 13.990 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.773 -12.154 13.775 1.00 0.72 C ATOM 1980 C HIS A 192 -1.928 -12.579 12.312 1.00 0.67 C ATOM 1981 O HIS A 192 -1.359 -11.979 11.421 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.786 -11.051 14.114 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.132 -11.660 14.406 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -5.001 -12.384 13.628 1.00 2.46 N flip ATOM 1985 CD2 HIS A 192 -4.736 -11.556 15.650 1.00 2.48 C flip ATOM 1986 CE1 HIS A 192 -6.126 -12.725 14.373 1.00 3.29 C flip ATOM 1987 NE2 HIS A 192 -5.915 -12.202 15.583 1.00 3.35 N flip ATOM 0 H HIS A 192 -0.324 -10.620 14.090 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.952 -13.016 14.418 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.441 -10.481 14.977 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.867 -10.352 13.282 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -4.334 -11.049 16.515 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.985 -13.291 14.043 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.568 -12.282 16.362 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.694 -13.612 12.060 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.898 -14.094 10.654 1.00 0.85 C ATOM 1997 C HIS A 193 -4.397 -14.260 10.392 1.00 0.74 C ATOM 1998 O HIS A 193 -4.907 -15.359 10.309 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.192 -15.442 10.475 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.415 -16.294 11.695 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.620 -16.190 12.824 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -3.339 -17.272 11.976 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.073 -17.080 13.725 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.121 -17.767 13.259 1.00 3.87 N ATOM 0 H HIS A 193 -3.191 -14.147 12.772 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.484 -13.372 9.951 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.575 -15.950 9.590 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.125 -15.287 10.317 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -4.116 -17.606 11.304 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -1.643 -17.222 14.705 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -3.647 -18.497 13.740 1.00 3.87 H new ATOM 2012 N MET A 194 -5.105 -13.171 10.265 1.00 0.73 N ATOM 2013 CA MET A 194 -6.572 -13.255 10.012 1.00 0.79 C ATOM 2014 C MET A 194 -6.825 -13.528 8.528 1.00 0.75 C ATOM 2015 O MET A 194 -7.714 -14.272 8.166 1.00 0.90 O ATOM 2016 CB MET A 194 -7.223 -11.926 10.402 1.00 0.91 C ATOM 2017 CG MET A 194 -8.744 -12.076 10.391 1.00 1.47 C ATOM 2018 SD MET A 194 -9.510 -10.466 10.703 1.00 2.35 S ATOM 2019 CE MET A 194 -11.026 -11.079 11.477 1.00 2.94 C ATOM 0 H MET A 194 -4.730 -12.224 10.326 1.00 0.73 H new ATOM 0 HA MET A 194 -6.999 -14.065 10.604 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.885 -11.621 11.392 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.920 -11.143 9.707 1.00 0.91 H new ATOM 0 HG2 MET A 194 -9.075 -12.468 9.429 1.00 1.47 H new ATOM 0 HG3 MET A 194 -9.055 -12.792 11.151 1.00 1.47 H new ATOM 0 HE1 MET A 194 -11.659 -10.236 11.755 1.00 2.94 H new ATOM 0 HE2 MET A 194 -11.561 -11.718 10.774 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.773 -11.652 12.369 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.053 -12.925 7.666 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.249 -13.137 6.203 1.00 0.76 C ATOM 2031 C ALA A 195 -6.230 -14.634 5.879 1.00 0.90 C ATOM 2032 O ALA A 195 -6.976 -15.105 5.043 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.126 -12.437 5.437 1.00 0.82 C ATOM 0 H ALA A 195 -5.292 -12.292 7.913 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.213 -12.723 5.908 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.266 -12.590 4.367 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.146 -11.370 5.657 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.165 -12.852 5.740 1.00 0.82 H new ATOM 2039 N ARG A 196 -5.379 -15.384 6.522 1.00 0.89 N ATOM 2040 CA ARG A 196 -5.310 -16.847 6.235 1.00 1.09 C ATOM 2041 C ARG A 196 -6.546 -17.552 6.800 1.00 1.21 C ATOM 2042 O ARG A 196 -7.089 -18.450 6.190 1.00 1.44 O ATOM 2043 CB ARG A 196 -4.044 -17.429 6.875 1.00 1.11 C ATOM 2044 CG ARG A 196 -4.014 -18.954 6.674 1.00 1.34 C ATOM 2045 CD ARG A 196 -2.643 -19.535 7.090 1.00 1.43 C ATOM 2046 NE ARG A 196 -2.219 -20.577 6.102 1.00 1.90 N ATOM 2047 CZ ARG A 196 -3.044 -21.515 5.712 1.00 2.46 C ATOM 2048 NH1 ARG A 196 -4.206 -21.656 6.286 1.00 2.75 N ATOM 2049 NH2 ARG A 196 -2.684 -22.343 4.770 1.00 3.31 N ATOM 0 H ARG A 196 -4.729 -15.049 7.233 1.00 0.89 H new ATOM 0 HA ARG A 196 -5.279 -17.001 5.156 1.00 1.09 H new ATOM 0 HB2 ARG A 196 -3.159 -16.976 6.429 1.00 1.11 H new ATOM 0 HB3 ARG A 196 -4.021 -17.192 7.939 1.00 1.11 H new ATOM 0 HG2 ARG A 196 -4.805 -19.419 7.263 1.00 1.34 H new ATOM 0 HG3 ARG A 196 -4.213 -19.192 5.629 1.00 1.34 H new ATOM 0 HD2 ARG A 196 -1.899 -18.740 7.137 1.00 1.43 H new ATOM 0 HD3 ARG A 196 -2.708 -19.970 8.087 1.00 1.43 H new ATOM 0 HE ARG A 196 -1.271 -20.555 5.726 1.00 1.90 H new ATOM 0 HH11 ARG A 196 -4.479 -21.032 7.046 1.00 2.75 H new ATOM 0 HH12 ARG A 196 -4.843 -22.390 5.975 1.00 2.75 H new ATOM 0 HH21 ARG A 196 -1.763 -22.258 4.341 1.00 3.31 H new ATOM 0 HH22 ARG A 196 -3.324 -23.076 4.463 1.00 3.31 H new ATOM 2063 N GLU A 197 -6.991 -17.165 7.962 1.00 1.18 N ATOM 2064 CA GLU A 197 -8.185 -17.831 8.558 1.00 1.45 C ATOM 2065 C GLU A 197 -9.434 -17.491 7.740 1.00 1.53 C ATOM 2066 O GLU A 197 -10.383 -18.247 7.699 1.00 1.76 O ATOM 2067 CB GLU A 197 -8.371 -17.349 9.998 1.00 1.53 C ATOM 2068 CG GLU A 197 -9.392 -18.242 10.706 1.00 1.99 C ATOM 2069 CD GLU A 197 -8.778 -19.620 10.955 1.00 2.56 C ATOM 2070 OE1 GLU A 197 -8.052 -19.758 11.925 1.00 3.04 O ATOM 2071 OE2 GLU A 197 -9.043 -20.515 10.167 1.00 3.13 O ATOM 0 H GLU A 197 -6.582 -16.419 8.525 1.00 1.18 H new ATOM 0 HA GLU A 197 -8.035 -18.911 8.550 1.00 1.45 H new ATOM 0 HB2 GLU A 197 -7.419 -17.376 10.528 1.00 1.53 H new ATOM 0 HB3 GLU A 197 -8.711 -16.313 10.005 1.00 1.53 H new ATOM 0 HG2 GLU A 197 -9.693 -17.790 11.651 1.00 1.99 H new ATOM 0 HG3 GLU A 197 -10.291 -18.337 10.098 1.00 1.99 H new ATOM 2078 N LEU A 198 -9.446 -16.358 7.095 1.00 1.41 N ATOM 2079 CA LEU A 198 -10.640 -15.974 6.289 1.00 1.56 C ATOM 2080 C LEU A 198 -10.644 -16.731 4.958 1.00 1.70 C ATOM 2081 O LEU A 198 -11.667 -17.220 4.519 1.00 1.95 O ATOM 2082 CB LEU A 198 -10.613 -14.469 6.014 1.00 1.47 C ATOM 2083 CG LEU A 198 -10.810 -13.690 7.322 1.00 1.53 C ATOM 2084 CD1 LEU A 198 -10.603 -12.197 7.046 1.00 1.82 C ATOM 2085 CD2 LEU A 198 -12.230 -13.925 7.882 1.00 1.83 C ATOM 0 H LEU A 198 -8.682 -15.682 7.091 1.00 1.41 H new ATOM 0 HA LEU A 198 -11.539 -16.229 6.849 1.00 1.56 H new ATOM 0 HB2 LEU A 198 -9.663 -14.192 5.556 1.00 1.47 H new ATOM 0 HB3 LEU A 198 -11.397 -14.207 5.304 1.00 1.47 H new ATOM 0 HG LEU A 198 -10.087 -14.037 8.060 1.00 1.53 H new ATOM 0 HD11 LEU A 198 -10.741 -11.634 7.969 1.00 1.82 H new ATOM 0 HD12 LEU A 198 -9.594 -12.033 6.668 1.00 1.82 H new ATOM 0 HD13 LEU A 198 -11.327 -11.860 6.304 1.00 1.82 H new ATOM 0 HD21 LEU A 198 -12.353 -13.365 8.809 1.00 1.83 H new ATOM 0 HD22 LEU A 198 -12.968 -13.588 7.154 1.00 1.83 H new ATOM 0 HD23 LEU A 198 -12.373 -14.988 8.078 1.00 1.83 H new ATOM 2097 N HIS A 199 -9.516 -16.822 4.299 1.00 1.61 N ATOM 2098 CA HIS A 199 -9.475 -17.538 2.986 1.00 1.79 C ATOM 2099 C HIS A 199 -8.112 -18.216 2.795 1.00 1.68 C ATOM 2100 O HIS A 199 -7.257 -17.709 2.098 1.00 1.85 O ATOM 2101 CB HIS A 199 -9.701 -16.523 1.860 1.00 2.06 C ATOM 2102 CG HIS A 199 -8.930 -15.266 2.155 1.00 2.04 C ATOM 2103 ND1 HIS A 199 -7.547 -15.209 2.075 1.00 2.62 N ATOM 2104 CD2 HIS A 199 -9.336 -14.010 2.535 1.00 2.05 C ATOM 2105 CE1 HIS A 199 -7.174 -13.958 2.399 1.00 2.96 C ATOM 2106 NE2 HIS A 199 -8.225 -13.186 2.689 1.00 2.51 N ATOM 0 H HIS A 199 -8.626 -16.434 4.611 1.00 1.61 H new ATOM 0 HA HIS A 199 -10.254 -18.301 2.966 1.00 1.79 H new ATOM 0 HB2 HIS A 199 -9.380 -16.944 0.907 1.00 2.06 H new ATOM 0 HB3 HIS A 199 -10.763 -16.297 1.767 1.00 2.06 H new ATOM 0 HD1 HIS A 199 -6.926 -15.976 1.817 1.00 2.62 H new ATOM 0 HD2 HIS A 199 -10.361 -13.708 2.691 1.00 2.05 H new ATOM 0 HE1 HIS A 199 -6.149 -13.619 2.422 1.00 2.96 H new ATOM 2114 N PRO A 200 -7.914 -19.362 3.399 1.00 1.59 N ATOM 2115 CA PRO A 200 -6.641 -20.122 3.280 1.00 1.65 C ATOM 2116 C PRO A 200 -6.613 -20.995 2.018 1.00 1.89 C ATOM 2117 O PRO A 200 -5.567 -21.392 1.546 1.00 2.44 O ATOM 2118 CB PRO A 200 -6.636 -20.988 4.543 1.00 1.85 C ATOM 2119 CG PRO A 200 -8.085 -21.254 4.831 1.00 1.95 C ATOM 2120 CD PRO A 200 -8.880 -20.060 4.267 1.00 1.72 C ATOM 0 HA PRO A 200 -5.771 -19.472 3.194 1.00 1.65 H new ATOM 0 HB2 PRO A 200 -6.087 -21.916 4.384 1.00 1.85 H new ATOM 0 HB3 PRO A 200 -6.156 -20.472 5.374 1.00 1.85 H new ATOM 0 HG2 PRO A 200 -8.406 -22.186 4.366 1.00 1.95 H new ATOM 0 HG3 PRO A 200 -8.253 -21.358 5.903 1.00 1.95 H new ATOM 0 HD2 PRO A 200 -9.753 -20.392 3.705 1.00 1.72 H new ATOM 0 HD3 PRO A 200 -9.242 -19.410 5.064 1.00 1.72 H new ATOM 2128 N GLU A 201 -7.762 -21.298 1.472 1.00 1.95 N ATOM 2129 CA GLU A 201 -7.813 -22.146 0.246 1.00 2.41 C ATOM 2130 C GLU A 201 -6.795 -21.636 -0.778 1.00 2.20 C ATOM 2131 O GLU A 201 -6.418 -22.339 -1.694 1.00 2.62 O ATOM 2132 CB GLU A 201 -9.218 -22.081 -0.356 1.00 2.93 C ATOM 2133 CG GLU A 201 -9.265 -22.910 -1.642 1.00 3.65 C ATOM 2134 CD GLU A 201 -10.717 -23.050 -2.107 1.00 4.31 C ATOM 2135 OE1 GLU A 201 -11.479 -22.122 -1.893 1.00 4.64 O ATOM 2136 OE2 GLU A 201 -11.040 -24.083 -2.670 1.00 4.86 O ATOM 0 H GLU A 201 -8.669 -20.993 1.824 1.00 1.95 H new ATOM 0 HA GLU A 201 -7.574 -23.177 0.508 1.00 2.41 H new ATOM 0 HB2 GLU A 201 -9.949 -22.459 0.359 1.00 2.93 H new ATOM 0 HB3 GLU A 201 -9.486 -21.046 -0.569 1.00 2.93 H new ATOM 0 HG2 GLU A 201 -8.668 -22.431 -2.418 1.00 3.65 H new ATOM 0 HG3 GLU A 201 -8.831 -23.895 -1.468 1.00 3.65 H new ATOM 2143 N TYR A 202 -6.346 -20.419 -0.629 1.00 1.91 N ATOM 2144 CA TYR A 202 -5.354 -19.868 -1.595 1.00 2.02 C ATOM 2145 C TYR A 202 -3.962 -20.412 -1.255 1.00 2.17 C ATOM 2146 O TYR A 202 -3.288 -20.984 -2.089 1.00 2.63 O ATOM 2147 CB TYR A 202 -5.349 -18.333 -1.503 1.00 2.25 C ATOM 2148 CG TYR A 202 -6.485 -17.764 -2.329 1.00 2.62 C ATOM 2149 CD1 TYR A 202 -7.811 -18.080 -2.004 1.00 2.97 C ATOM 2150 CD2 TYR A 202 -6.215 -16.922 -3.418 1.00 3.00 C ATOM 2151 CE1 TYR A 202 -8.863 -17.557 -2.766 1.00 3.63 C ATOM 2152 CE2 TYR A 202 -7.267 -16.400 -4.179 1.00 3.60 C ATOM 2153 CZ TYR A 202 -8.591 -16.717 -3.853 1.00 3.90 C ATOM 2154 OH TYR A 202 -9.630 -16.202 -4.602 1.00 4.66 O ATOM 0 H TYR A 202 -6.623 -19.784 0.119 1.00 1.91 H new ATOM 0 HA TYR A 202 -5.622 -20.166 -2.609 1.00 2.02 H new ATOM 0 HB2 TYR A 202 -5.452 -18.022 -0.463 1.00 2.25 H new ATOM 0 HB3 TYR A 202 -4.396 -17.942 -1.860 1.00 2.25 H new ATOM 0 HD1 TYR A 202 -8.022 -18.727 -1.165 1.00 2.97 H new ATOM 0 HD2 TYR A 202 -5.194 -16.676 -3.669 1.00 3.00 H new ATOM 0 HE1 TYR A 202 -9.885 -17.802 -2.515 1.00 3.63 H new ATOM 0 HE2 TYR A 202 -7.057 -15.753 -5.018 1.00 3.60 H new ATOM 0 HH TYR A 202 -9.269 -15.638 -5.318 1.00 4.66 H new ATOM 2164 N PHE A 203 -3.522 -20.233 -0.036 1.00 2.24 N ATOM 2165 CA PHE A 203 -2.170 -20.734 0.359 1.00 2.91 C ATOM 2166 C PHE A 203 -2.302 -22.153 0.922 1.00 3.51 C ATOM 2167 O PHE A 203 -2.666 -22.346 2.065 1.00 4.00 O ATOM 2168 CB PHE A 203 -1.563 -19.798 1.426 1.00 3.09 C ATOM 2169 CG PHE A 203 -2.135 -18.404 1.262 1.00 2.66 C ATOM 2170 CD1 PHE A 203 -1.866 -17.669 0.101 1.00 2.71 C ATOM 2171 CD2 PHE A 203 -2.940 -17.851 2.269 1.00 2.55 C ATOM 2172 CE1 PHE A 203 -2.397 -16.383 -0.053 1.00 2.44 C ATOM 2173 CE2 PHE A 203 -3.470 -16.566 2.114 1.00 2.24 C ATOM 2174 CZ PHE A 203 -3.198 -15.833 0.954 1.00 2.05 C ATOM 0 H PHE A 203 -4.041 -19.761 0.704 1.00 2.24 H new ATOM 0 HA PHE A 203 -1.515 -20.751 -0.512 1.00 2.91 H new ATOM 0 HB2 PHE A 203 -1.782 -20.177 2.424 1.00 3.09 H new ATOM 0 HB3 PHE A 203 -0.478 -19.771 1.326 1.00 3.09 H new ATOM 0 HD1 PHE A 203 -1.248 -18.095 -0.676 1.00 2.71 H new ATOM 0 HD2 PHE A 203 -3.151 -18.418 3.164 1.00 2.55 H new ATOM 0 HE1 PHE A 203 -2.189 -15.816 -0.948 1.00 2.44 H new ATOM 0 HE2 PHE A 203 -4.089 -16.140 2.890 1.00 2.24 H new ATOM 0 HZ PHE A 203 -3.607 -14.841 0.835 1.00 2.05 H new ATOM 2184 N LYS A 204 -2.010 -23.148 0.130 1.00 3.84 N ATOM 2185 CA LYS A 204 -2.119 -24.550 0.621 1.00 4.59 C ATOM 2186 C LYS A 204 -0.834 -24.934 1.357 1.00 5.09 C ATOM 2187 O LYS A 204 0.101 -25.442 0.771 1.00 5.47 O ATOM 2188 CB LYS A 204 -2.330 -25.489 -0.569 1.00 5.01 C ATOM 2189 CG LYS A 204 -3.677 -25.178 -1.224 1.00 5.49 C ATOM 2190 CD LYS A 204 -3.993 -26.239 -2.280 1.00 6.17 C ATOM 2191 CE LYS A 204 -5.413 -26.025 -2.807 1.00 6.89 C ATOM 2192 NZ LYS A 204 -5.675 -26.971 -3.929 1.00 7.32 N ATOM 0 H LYS A 204 -1.700 -23.050 -0.837 1.00 3.84 H new ATOM 0 HA LYS A 204 -2.965 -24.634 1.304 1.00 4.59 H new ATOM 0 HB2 LYS A 204 -1.524 -25.366 -1.292 1.00 5.01 H new ATOM 0 HB3 LYS A 204 -2.305 -26.527 -0.237 1.00 5.01 H new ATOM 0 HG2 LYS A 204 -4.463 -25.157 -0.469 1.00 5.49 H new ATOM 0 HG3 LYS A 204 -3.649 -24.190 -1.684 1.00 5.49 H new ATOM 0 HD2 LYS A 204 -3.276 -26.177 -3.099 1.00 6.17 H new ATOM 0 HD3 LYS A 204 -3.900 -27.236 -1.849 1.00 6.17 H new ATOM 0 HE2 LYS A 204 -6.137 -26.183 -2.007 1.00 6.89 H new ATOM 0 HE3 LYS A 204 -5.535 -24.997 -3.148 1.00 6.89 H new ATOM 0 HZ1 LYS A 204 -6.640 -26.826 -4.287 1.00 7.32 H new ATOM 0 HZ2 LYS A 204 -4.992 -26.799 -4.694 1.00 7.32 H new ATOM 0 HZ3 LYS A 204 -5.576 -27.949 -3.589 1.00 7.32 H new ATOM 2206 N ASN A 205 -0.782 -24.699 2.639 1.00 5.49 N ATOM 2207 CA ASN A 205 0.442 -25.052 3.412 1.00 6.31 C ATOM 2208 C ASN A 205 0.528 -26.574 3.550 1.00 6.66 C ATOM 2209 O ASN A 205 1.304 -27.223 2.876 1.00 6.90 O ATOM 2210 CB ASN A 205 0.376 -24.413 4.802 1.00 6.97 C ATOM 2211 CG ASN A 205 1.758 -24.470 5.456 1.00 7.47 C ATOM 2212 OD1 ASN A 205 2.108 -25.454 6.078 1.00 7.58 O ATOM 2213 ND2 ASN A 205 2.564 -23.451 5.340 1.00 8.08 N ATOM 0 H ASN A 205 -1.534 -24.278 3.185 1.00 5.49 H new ATOM 0 HA ASN A 205 1.324 -24.681 2.889 1.00 6.31 H new ATOM 0 HB2 ASN A 205 0.042 -23.379 4.723 1.00 6.97 H new ATOM 0 HB3 ASN A 205 -0.353 -24.937 5.421 1.00 6.97 H new ATOM 0 HD21 ASN A 205 3.488 -23.480 5.771 1.00 8.08 H new ATOM 0 HD22 ASN A 205 2.270 -22.625 4.818 1.00 8.08 H new ATOM 2220 N ALA A 206 -0.263 -27.149 4.413 1.00 7.01 N ATOM 2221 CA ALA A 206 -0.225 -28.628 4.589 1.00 7.67 C ATOM 2222 C ALA A 206 -1.038 -29.294 3.476 1.00 7.99 C ATOM 2223 O ALA A 206 -2.232 -29.466 3.662 1.00 8.32 O ATOM 2224 CB ALA A 206 -0.828 -28.998 5.945 1.00 8.33 C ATOM 2225 OXT ALA A 206 -0.453 -29.620 2.456 1.00 8.16 O ATOM 0 H ALA A 206 -0.934 -26.659 5.004 1.00 7.01 H new ATOM 0 HA ALA A 206 0.809 -28.971 4.544 1.00 7.67 H new ATOM 0 HB1 ALA A 206 -0.800 -30.080 6.073 1.00 8.33 H new ATOM 0 HB2 ALA A 206 -0.253 -28.524 6.740 1.00 8.33 H new ATOM 0 HB3 ALA A 206 -1.861 -28.654 5.990 1.00 8.33 H new TER 2231 ALA A 206