USER MOD reduce.3.24.130724 H: found=0, std=0, add=1219, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1221 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 83 TYR OH : rot 180:sc= -0.482 USER MOD Set 1.2: A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 TYR OH : rot -1:sc= 0.228 USER MOD Set 2.2: A 168 CYS SG : rot 77:sc= 0.282 USER MOD Set 3.1: A 110 THR OG1 : rot 159:sc= 0 USER MOD Set 3.2: A 113 LYS NZ :NH3+ 171:sc= -0.188 (180deg=-0.341) USER MOD Set 4.1: A 109 HIS : no HD1:sc= 0 X(o=0.0029,f=0.034) USER MOD Set 4.2: A 147 SER OG : rot 33:sc= 0.00293 USER MOD Set 5.1: A 96 GLN : amide:sc= -0.271 K(o=-1,f=0.76) USER MOD Set 5.2: A 100 LYS NZ :NH3+ -149:sc= -0.733 (180deg=-0.159) USER MOD Set 6.1: A 15 ASN : amide:sc= -1.66 K(o=-0.53,f=-1.3!) USER MOD Set 6.2: A 29 TYR OH : rot 180:sc= -0.0705 USER MOD Set 6.3: A 63 THR OG1 : rot -73:sc= 1.21 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0103 (180deg=-0.187) USER MOD Single : A 20 SER OG : rot 180:sc= -0.522 USER MOD Single : A 21 HIS : no HD1:sc= 0.449 K(o=0.45,f=-1.8!) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -0.778 K(o=-0.78,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 138:sc= 0.391! USER MOD Single : A 54 ASN : amide:sc= -0.989 K(o=-0.99,f=-1.9) USER MOD Single : A 58 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.7) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 70 SER OG : rot 150:sc= 0.157 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 0.76 (180deg=0.755) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.369 USER MOD Single : A 98 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 99 GLN : amide:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 107 ASN : amide:sc= -4.27! C(o=-4.3!,f=-7.2!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=-0.07) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 167:sc= -0.064 (180deg=-0.352) USER MOD Single : A 141 SER OG : rot 16:sc= 0.0732 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot -122:sc= 0.214 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.5!) USER MOD Single : A 166 LYS NZ :NH3+ 152:sc= 0.153 (180deg=0.0135) USER MOD Single : A 173 MET CE :methyl 160:sc= -0.101 (180deg=-0.569) USER MOD Single : A 176 THR OG1 : rot 114:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 12.583 -12.949 2.929 1.00 0.23 N ATOM 56 CA LEU A 6 11.782 -11.702 2.805 1.00 0.22 C ATOM 57 C LEU A 6 11.549 -11.013 4.187 1.00 0.17 C ATOM 58 O LEU A 6 11.630 -9.778 4.303 1.00 0.16 O ATOM 59 CB LEU A 6 10.445 -12.017 2.091 1.00 0.24 C ATOM 60 CG LEU A 6 9.559 -10.801 1.697 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.275 -9.781 0.808 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.249 -11.216 1.023 1.00 0.35 C ATOM 0 HA LEU A 6 12.345 -10.989 2.203 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.668 -12.583 1.186 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.859 -12.669 2.739 1.00 0.24 H new ATOM 0 HG LEU A 6 9.334 -10.321 2.650 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.595 -8.962 0.574 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.147 -9.391 1.332 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.593 -10.264 -0.116 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.672 -10.326 0.770 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.469 -11.776 0.114 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.672 -11.842 1.704 1.00 0.35 H new ATOM 74 N ALA A 7 11.268 -11.850 5.227 1.00 0.17 N ATOM 75 CA ALA A 7 11.103 -11.439 6.661 1.00 0.16 C ATOM 76 C ALA A 7 12.408 -10.818 7.308 1.00 0.15 C ATOM 77 O ALA A 7 12.325 -10.046 8.275 1.00 0.15 O ATOM 78 CB ALA A 7 10.637 -12.665 7.477 1.00 0.20 C ATOM 0 H ALA A 7 11.146 -12.854 5.092 1.00 0.17 H new ATOM 0 HA ALA A 7 10.358 -10.644 6.683 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.513 -12.381 8.522 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.686 -13.024 7.083 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.383 -13.457 7.402 1.00 0.20 H new ATOM 84 N ASP A 8 13.612 -11.146 6.732 1.00 0.16 N ATOM 85 CA ASP A 8 14.919 -10.616 7.195 1.00 0.18 C ATOM 86 C ASP A 8 15.306 -9.243 6.544 1.00 0.17 C ATOM 87 O ASP A 8 16.247 -8.591 7.007 1.00 0.21 O ATOM 88 CB ASP A 8 16.026 -11.648 6.923 1.00 0.21 C ATOM 89 CG ASP A 8 16.487 -12.372 8.183 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.838 -13.371 8.564 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.493 -11.941 8.784 1.00 0.32 O ATOM 0 H ASP A 8 13.691 -11.783 5.939 1.00 0.16 H new ATOM 0 HA ASP A 8 14.817 -10.435 8.265 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.663 -12.380 6.202 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.879 -11.146 6.466 1.00 0.21 H new ATOM 96 N LYS A 9 14.571 -8.813 5.478 1.00 0.14 N ATOM 97 CA LYS A 9 14.848 -7.527 4.794 1.00 0.14 C ATOM 98 C LYS A 9 13.779 -6.431 5.066 1.00 0.10 C ATOM 99 O LYS A 9 14.076 -5.257 4.835 1.00 0.10 O ATOM 100 CB LYS A 9 15.049 -7.698 3.262 1.00 0.19 C ATOM 101 CG LYS A 9 15.776 -8.998 2.853 1.00 0.32 C ATOM 102 CD LYS A 9 16.042 -9.081 1.334 1.00 0.92 C ATOM 103 CE LYS A 9 16.791 -10.371 0.951 1.00 1.20 C ATOM 104 NZ LYS A 9 18.101 -10.480 1.652 1.00 1.73 N ATOM 0 H LYS A 9 13.791 -9.337 5.081 1.00 0.14 H new ATOM 0 HA LYS A 9 15.785 -7.184 5.233 1.00 0.14 H new ATOM 0 HB2 LYS A 9 14.074 -7.673 2.775 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.615 -6.846 2.885 1.00 0.19 H new ATOM 0 HG2 LYS A 9 16.724 -9.063 3.387 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.178 -9.856 3.160 1.00 0.32 H new ATOM 0 HD2 LYS A 9 15.095 -9.038 0.797 1.00 0.92 H new ATOM 0 HD3 LYS A 9 16.626 -8.216 1.020 1.00 0.92 H new ATOM 0 HE2 LYS A 9 16.174 -11.236 1.197 1.00 1.20 H new ATOM 0 HE3 LYS A 9 16.953 -10.391 -0.127 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 18.661 -11.244 1.224 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 18.617 -9.581 1.565 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 17.940 -10.691 2.658 1.00 1.73 H new ATOM 118 N VAL A 10 12.522 -6.798 5.530 1.00 0.09 N ATOM 119 CA VAL A 10 11.438 -5.804 5.899 1.00 0.07 C ATOM 120 C VAL A 10 11.872 -4.699 6.966 1.00 0.06 C ATOM 121 O VAL A 10 12.538 -4.997 7.964 1.00 0.09 O ATOM 122 CB VAL A 10 10.077 -6.585 6.304 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.094 -7.340 7.678 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.804 -5.687 6.223 1.00 0.10 C ATOM 0 H VAL A 10 12.240 -7.770 5.655 1.00 0.09 H new ATOM 0 HA VAL A 10 11.243 -5.214 5.004 1.00 0.07 H new ATOM 0 HB VAL A 10 10.031 -7.356 5.535 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.130 -7.823 7.839 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.881 -8.094 7.669 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.282 -6.628 8.482 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.928 -6.271 6.507 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.912 -4.841 6.902 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.681 -5.321 5.204 1.00 0.10 H new ATOM 134 N ILE A 11 11.468 -3.448 6.693 1.00 0.06 N ATOM 135 CA ILE A 11 11.763 -2.317 7.608 1.00 0.07 C ATOM 136 C ILE A 11 10.473 -1.611 8.092 1.00 0.07 C ATOM 137 O ILE A 11 10.439 -1.098 9.214 1.00 0.08 O ATOM 138 CB ILE A 11 12.742 -1.231 7.003 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.389 -0.897 5.512 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.237 -1.668 7.162 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.387 0.597 5.167 1.00 0.16 C ATOM 0 H ILE A 11 10.942 -3.189 5.858 1.00 0.06 H new ATOM 0 HA ILE A 11 12.271 -2.785 8.451 1.00 0.07 H new ATOM 0 HB ILE A 11 12.606 -0.312 7.573 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.103 -1.404 4.863 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.405 -1.308 5.286 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.887 -0.903 6.737 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.469 -1.795 8.220 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.398 -2.611 6.640 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.132 0.727 4.115 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.652 1.112 5.785 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.376 1.015 5.355 1.00 0.16 H new ATOM 153 N TRP A 12 9.416 -1.595 7.240 1.00 0.06 N ATOM 154 CA TRP A 12 8.151 -0.932 7.580 1.00 0.07 C ATOM 155 C TRP A 12 6.977 -1.434 6.697 1.00 0.08 C ATOM 156 O TRP A 12 7.019 -1.313 5.482 1.00 0.10 O ATOM 157 CB TRP A 12 8.361 0.581 7.410 1.00 0.10 C ATOM 158 CG TRP A 12 7.480 1.421 8.283 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.723 1.880 9.550 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.189 1.871 7.934 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.635 2.594 10.000 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.682 2.597 9.018 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.421 1.718 6.790 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.424 3.173 8.989 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.175 2.279 6.760 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.683 3.000 7.854 1.00 0.54 C ATOM 0 H TRP A 12 9.424 -2.034 6.319 1.00 0.06 H new ATOM 0 HA TRP A 12 7.878 -1.168 8.608 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.402 0.819 7.626 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.183 0.847 6.368 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.630 1.708 10.111 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.553 3.045 10.911 1.00 0.26 H new ATOM 0 HE3 TRP A 12 5.799 1.168 5.941 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 4.044 3.736 9.829 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 3.561 2.164 5.879 1.00 0.51 H new ATOM 0 HH2 TRP A 12 2.694 3.430 7.800 1.00 0.54 H new ATOM 177 N ALA A 13 5.918 -2.026 7.322 1.00 0.09 N ATOM 178 CA ALA A 13 4.717 -2.533 6.575 1.00 0.12 C ATOM 179 C ALA A 13 3.405 -2.222 7.338 1.00 0.16 C ATOM 180 O ALA A 13 3.283 -2.509 8.543 1.00 0.19 O ATOM 181 CB ALA A 13 4.807 -4.056 6.269 1.00 0.14 C ATOM 0 H ALA A 13 5.867 -2.165 8.331 1.00 0.09 H new ATOM 0 HA ALA A 13 4.705 -2.004 5.622 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.915 -4.372 5.728 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.689 -4.253 5.660 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.880 -4.611 7.204 1.00 0.14 H new ATOM 187 N VAL A 14 2.414 -1.623 6.625 1.00 0.20 N ATOM 188 CA VAL A 14 1.102 -1.246 7.234 1.00 0.26 C ATOM 189 C VAL A 14 -0.091 -1.443 6.251 1.00 0.27 C ATOM 190 O VAL A 14 -0.013 -1.123 5.065 1.00 0.28 O ATOM 191 CB VAL A 14 1.162 0.266 7.873 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.141 1.119 7.902 1.00 0.80 C ATOM 193 CG2 VAL A 14 1.608 0.216 9.325 1.00 1.05 C ATOM 0 H VAL A 14 2.494 -1.391 5.635 1.00 0.20 H new ATOM 0 HA VAL A 14 0.913 -1.934 8.058 1.00 0.26 H new ATOM 0 HB VAL A 14 1.850 0.748 7.178 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.069 2.088 8.354 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.504 1.264 6.884 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.901 0.602 8.488 1.00 0.80 H new ATOM 0 HG21 VAL A 14 1.641 1.227 9.730 1.00 1.05 H new ATOM 0 HG22 VAL A 14 0.903 -0.383 9.902 1.00 1.05 H new ATOM 0 HG23 VAL A 14 2.600 -0.232 9.386 1.00 1.05 H new ATOM 203 N ASN A 15 -1.219 -1.933 6.813 1.00 0.33 N ATOM 204 CA ASN A 15 -2.476 -2.021 6.053 1.00 0.43 C ATOM 205 C ASN A 15 -3.463 -1.049 6.722 1.00 0.46 C ATOM 206 O ASN A 15 -3.920 -1.280 7.848 1.00 0.55 O ATOM 207 CB ASN A 15 -3.067 -3.466 5.905 1.00 0.56 C ATOM 208 CG ASN A 15 -4.266 -3.602 4.955 1.00 1.40 C ATOM 209 OD1 ASN A 15 -5.140 -4.424 5.183 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.318 -2.793 3.913 1.00 2.11 N ATOM 0 H ASN A 15 -1.281 -2.267 7.775 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.278 -1.743 5.018 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.275 -4.129 5.557 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.367 -3.819 6.892 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.106 -2.843 3.268 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.570 -2.118 3.753 1.00 2.11 H new ATOM 217 N ALA A 16 -3.769 0.054 5.993 1.00 0.47 N ATOM 218 CA ALA A 16 -4.710 1.101 6.440 1.00 0.54 C ATOM 219 C ALA A 16 -6.167 0.620 6.311 1.00 0.58 C ATOM 220 O ALA A 16 -6.776 0.590 5.192 1.00 0.63 O ATOM 221 CB ALA A 16 -4.453 2.429 5.683 1.00 0.59 C ATOM 0 H ALA A 16 -3.365 0.239 5.075 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.537 1.300 7.498 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.157 3.186 6.028 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.434 2.766 5.875 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.587 2.270 4.613 1.00 0.59 H new ATOM 227 N GLY A 17 -6.613 0.097 7.487 1.00 0.58 N ATOM 228 CA GLY A 17 -7.955 -0.428 7.645 1.00 0.61 C ATOM 229 C GLY A 17 -8.214 -1.408 8.798 1.00 0.62 C ATOM 230 O GLY A 17 -9.360 -1.853 8.929 1.00 0.71 O ATOM 0 H GLY A 17 -6.042 0.038 8.330 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.632 0.417 7.767 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.231 -0.926 6.715 1.00 0.61 H new ATOM 234 N GLY A 18 -7.216 -1.766 9.634 1.00 0.72 N ATOM 235 CA GLY A 18 -7.515 -2.725 10.715 1.00 0.73 C ATOM 236 C GLY A 18 -6.490 -2.856 11.836 1.00 0.68 C ATOM 237 O GLY A 18 -5.965 -1.868 12.359 1.00 0.80 O ATOM 0 H GLY A 18 -6.254 -1.430 9.589 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.469 -2.444 11.161 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.651 -3.709 10.265 1.00 0.73 H new ATOM 241 N GLU A 19 -6.236 -4.133 12.198 1.00 0.59 N ATOM 242 CA GLU A 19 -5.306 -4.513 13.265 1.00 0.60 C ATOM 243 C GLU A 19 -4.303 -5.576 12.778 1.00 0.54 C ATOM 244 O GLU A 19 -4.679 -6.559 12.127 1.00 0.65 O ATOM 245 CB GLU A 19 -6.109 -5.010 14.498 1.00 0.77 C ATOM 246 CG GLU A 19 -5.287 -5.679 15.615 1.00 1.43 C ATOM 247 CD GLU A 19 -6.134 -6.037 16.823 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.739 -5.120 17.418 1.00 1.50 O ATOM 249 OE2 GLU A 19 -6.196 -7.235 17.172 1.00 1.63 O ATOM 0 H GLU A 19 -6.680 -4.933 11.747 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.723 -3.639 13.556 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.642 -4.161 14.926 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.862 -5.719 14.154 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -4.816 -6.581 15.225 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -4.485 -5.008 15.923 1.00 1.43 H new ATOM 256 N SER A 20 -3.014 -5.322 13.143 1.00 0.48 N ATOM 257 CA SER A 20 -1.760 -6.126 12.850 1.00 0.45 C ATOM 258 C SER A 20 -1.890 -7.596 12.318 1.00 0.43 C ATOM 259 O SER A 20 -2.491 -8.451 12.980 1.00 0.51 O ATOM 260 CB SER A 20 -0.901 -6.158 14.124 1.00 0.52 C ATOM 261 OG SER A 20 -0.260 -4.913 14.361 1.00 1.00 O ATOM 0 H SER A 20 -2.792 -4.491 13.691 1.00 0.48 H new ATOM 0 HA SER A 20 -1.326 -5.595 12.003 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.528 -6.412 14.979 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.149 -6.942 14.036 1.00 0.52 H new ATOM 0 HG SER A 20 0.275 -4.971 15.180 1.00 1.00 H new ATOM 267 N HIS A 21 -1.297 -7.868 11.129 1.00 0.39 N ATOM 268 CA HIS A 21 -1.355 -9.227 10.515 1.00 0.40 C ATOM 269 C HIS A 21 -0.030 -9.626 9.847 1.00 0.40 C ATOM 270 O HIS A 21 0.621 -8.839 9.167 1.00 0.41 O ATOM 271 CB HIS A 21 -2.535 -9.320 9.499 1.00 0.43 C ATOM 272 CG HIS A 21 -2.546 -10.506 8.529 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.199 -11.699 8.771 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.995 -10.650 7.289 1.00 0.45 C ATOM 275 CE1 HIS A 21 -3.038 -12.501 7.721 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.318 -11.885 6.827 1.00 0.43 N ATOM 0 H HIS A 21 -0.780 -7.180 10.581 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.529 -9.936 11.324 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.465 -9.342 10.066 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.543 -8.404 8.909 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.405 -9.911 6.767 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.439 -13.499 7.626 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -2.041 -12.269 5.924 1.00 0.43 H new ATOM 285 N VAL A 22 0.293 -10.914 10.003 1.00 0.41 N ATOM 286 CA VAL A 22 1.504 -11.522 9.429 1.00 0.43 C ATOM 287 C VAL A 22 1.131 -12.429 8.201 1.00 0.44 C ATOM 288 O VAL A 22 0.367 -13.396 8.314 1.00 0.48 O ATOM 289 CB VAL A 22 2.433 -12.199 10.586 1.00 0.49 C ATOM 290 CG1 VAL A 22 1.891 -13.508 11.237 1.00 1.38 C ATOM 291 CG2 VAL A 22 3.898 -12.423 10.132 1.00 1.39 C ATOM 0 H VAL A 22 -0.280 -11.570 10.534 1.00 0.41 H new ATOM 0 HA VAL A 22 2.154 -10.755 9.008 1.00 0.43 H new ATOM 0 HB VAL A 22 2.396 -11.439 11.367 1.00 0.49 H new ATOM 0 HG11 VAL A 22 2.597 -13.860 11.989 1.00 1.38 H new ATOM 0 HG12 VAL A 22 0.928 -13.309 11.708 1.00 1.38 H new ATOM 0 HG13 VAL A 22 1.768 -14.272 10.470 1.00 1.38 H new ATOM 0 HG21 VAL A 22 4.466 -12.876 10.945 1.00 1.39 H new ATOM 0 HG22 VAL A 22 3.913 -13.085 9.266 1.00 1.39 H new ATOM 0 HG23 VAL A 22 4.347 -11.466 9.865 1.00 1.39 H new ATOM 301 N ASP A 23 1.689 -12.054 7.031 1.00 0.41 N ATOM 302 CA ASP A 23 1.452 -12.785 5.761 1.00 0.44 C ATOM 303 C ASP A 23 2.425 -13.970 5.541 1.00 0.43 C ATOM 304 O ASP A 23 3.468 -14.063 6.202 1.00 0.41 O ATOM 305 CB ASP A 23 1.359 -11.846 4.492 1.00 0.49 C ATOM 306 CG ASP A 23 2.480 -10.845 4.244 1.00 1.04 C ATOM 307 OD1 ASP A 23 2.384 -9.714 4.767 1.00 1.85 O ATOM 308 OD2 ASP A 23 3.415 -11.193 3.490 1.00 1.46 O ATOM 0 H ASP A 23 2.308 -11.249 6.936 1.00 0.41 H new ATOM 0 HA ASP A 23 0.461 -13.222 5.882 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.284 -12.485 3.612 1.00 0.49 H new ATOM 0 HB3 ASP A 23 0.425 -11.288 4.561 1.00 0.49 H new ATOM 313 N VAL A 24 2.066 -14.780 4.508 1.00 0.47 N ATOM 314 CA VAL A 24 2.694 -16.086 4.047 1.00 0.50 C ATOM 315 C VAL A 24 4.254 -16.184 4.072 1.00 0.47 C ATOM 316 O VAL A 24 4.791 -17.142 4.637 1.00 0.51 O ATOM 317 CB VAL A 24 2.188 -16.515 2.574 1.00 0.57 C ATOM 318 CG1 VAL A 24 1.906 -18.010 2.498 1.00 0.72 C ATOM 319 CG2 VAL A 24 0.906 -15.797 2.053 1.00 0.58 C ATOM 0 H VAL A 24 1.270 -14.534 3.919 1.00 0.47 H new ATOM 0 HA VAL A 24 2.342 -16.774 4.816 1.00 0.50 H new ATOM 0 HB VAL A 24 3.021 -16.209 1.941 1.00 0.57 H new ATOM 0 HG11 VAL A 24 1.567 -18.266 1.494 1.00 0.72 H new ATOM 0 HG12 VAL A 24 2.817 -18.564 2.726 1.00 0.72 H new ATOM 0 HG13 VAL A 24 1.132 -18.271 3.220 1.00 0.72 H new ATOM 0 HG21 VAL A 24 0.662 -16.165 1.056 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.075 -16.001 2.728 1.00 0.58 H new ATOM 0 HG23 VAL A 24 1.083 -14.722 2.010 1.00 0.58 H new ATOM 329 N HIS A 25 4.949 -15.219 3.464 1.00 0.42 N ATOM 330 CA HIS A 25 6.446 -15.176 3.474 1.00 0.40 C ATOM 331 C HIS A 25 7.035 -14.692 4.850 1.00 0.36 C ATOM 332 O HIS A 25 8.201 -14.948 5.163 1.00 0.39 O ATOM 333 CB HIS A 25 6.951 -14.272 2.344 1.00 0.38 C ATOM 334 CG HIS A 25 6.328 -14.551 0.997 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.473 -15.751 0.330 1.00 0.45 N ATOM 336 CD2 HIS A 25 5.540 -13.779 0.205 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.803 -15.703 -0.809 1.00 0.49 C ATOM 338 NE2 HIS A 25 5.230 -14.519 -0.908 1.00 0.51 N ATOM 0 H HIS A 25 4.516 -14.449 2.954 1.00 0.42 H new ATOM 0 HA HIS A 25 6.794 -16.198 3.320 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.758 -13.233 2.612 1.00 0.38 H new ATOM 0 HB3 HIS A 25 8.032 -14.384 2.261 1.00 0.38 H new ATOM 0 HD2 HIS A 25 5.217 -12.770 0.413 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.736 -16.499 -1.536 1.00 0.49 H new ATOM 0 HE2 HIS A 25 4.650 -14.204 -1.686 1.00 0.51 H new ATOM 347 N GLY A 26 6.184 -13.992 5.639 1.00 0.34 N ATOM 348 CA GLY A 26 6.523 -13.514 6.979 1.00 0.32 C ATOM 349 C GLY A 26 6.596 -12.001 7.128 1.00 0.27 C ATOM 350 O GLY A 26 7.511 -11.477 7.766 1.00 0.26 O ATOM 0 H GLY A 26 5.237 -13.747 5.350 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.783 -13.897 7.682 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.485 -13.938 7.266 1.00 0.32 H new ATOM 354 N ILE A 27 5.605 -11.303 6.553 1.00 0.26 N ATOM 355 CA ILE A 27 5.540 -9.823 6.610 1.00 0.23 C ATOM 356 C ILE A 27 4.377 -9.370 7.566 1.00 0.26 C ATOM 357 O ILE A 27 3.222 -9.723 7.360 1.00 0.33 O ATOM 358 CB ILE A 27 5.449 -9.253 5.120 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.725 -9.597 4.254 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.114 -7.733 4.958 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.116 -9.226 4.785 1.00 0.55 C ATOM 0 H ILE A 27 4.835 -11.734 6.042 1.00 0.26 H new ATOM 0 HA ILE A 27 6.444 -9.398 7.046 1.00 0.23 H new ATOM 0 HB ILE A 27 4.576 -9.786 4.743 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.719 -10.672 4.075 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.604 -9.112 3.286 1.00 0.18 H new ATOM 0 HG21 ILE A 27 5.083 -7.478 3.899 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.145 -7.524 5.410 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.881 -7.137 5.452 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.874 -9.534 4.065 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.173 -8.148 4.933 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.290 -9.732 5.734 1.00 0.55 H new ATOM 373 N HIS A 28 4.703 -8.539 8.565 1.00 0.25 N ATOM 374 CA HIS A 28 3.706 -8.074 9.547 1.00 0.30 C ATOM 375 C HIS A 28 3.304 -6.579 9.398 1.00 0.28 C ATOM 376 O HIS A 28 4.157 -5.686 9.365 1.00 0.28 O ATOM 377 CB HIS A 28 4.259 -8.329 10.956 1.00 0.40 C ATOM 378 CG HIS A 28 3.242 -8.638 12.025 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.422 -9.642 12.953 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.053 -8.064 12.325 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.388 -9.673 13.773 1.00 1.30 C ATOM 382 NE2 HIS A 28 1.542 -8.726 13.416 1.00 1.34 N ATOM 0 H HIS A 28 5.644 -8.175 8.717 1.00 0.25 H new ATOM 0 HA HIS A 28 2.792 -8.638 9.363 1.00 0.30 H new ATOM 0 HB2 HIS A 28 4.963 -9.160 10.903 1.00 0.40 H new ATOM 0 HB3 HIS A 28 4.825 -7.451 11.266 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.229 -10.264 12.999 1.00 0.93 H new ATOM 0 HD2 HIS A 28 1.591 -7.239 11.804 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.257 -10.358 14.597 1.00 1.30 H new ATOM 391 N TYR A 29 1.964 -6.341 9.326 1.00 0.33 N ATOM 392 CA TYR A 29 1.358 -4.996 9.239 1.00 0.38 C ATOM 393 C TYR A 29 0.970 -4.480 10.649 1.00 0.45 C ATOM 394 O TYR A 29 0.636 -5.277 11.527 1.00 0.46 O ATOM 395 CB TYR A 29 0.174 -5.065 8.206 1.00 0.45 C ATOM 396 CG TYR A 29 -1.310 -4.976 8.665 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.840 -3.886 9.371 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.198 -5.974 8.299 1.00 1.34 C ATOM 399 CE1 TYR A 29 -3.193 -3.834 9.696 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.538 -5.916 8.602 1.00 1.91 C ATOM 401 CZ TYR A 29 -4.029 -4.858 9.295 1.00 2.21 C ATOM 402 OH TYR A 29 -5.368 -4.814 9.549 1.00 2.79 O ATOM 0 H TYR A 29 1.273 -7.091 9.327 1.00 0.33 H new ATOM 0 HA TYR A 29 2.065 -4.255 8.868 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.333 -4.260 7.488 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.282 -6.003 7.662 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -1.190 -3.076 9.667 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -1.824 -6.829 7.756 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -3.586 -2.999 10.257 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.198 -6.711 8.289 1.00 1.91 H new ATOM 0 HH TYR A 29 -5.795 -5.621 9.192 1.00 2.79 H new ATOM 412 N ARG A 30 1.000 -3.144 10.845 1.00 0.54 N ATOM 413 CA ARG A 30 0.694 -2.541 12.163 1.00 0.63 C ATOM 414 C ARG A 30 -0.689 -1.848 12.249 1.00 0.91 C ATOM 415 O ARG A 30 -1.205 -1.265 11.288 1.00 1.87 O ATOM 416 CB ARG A 30 1.808 -1.561 12.583 1.00 0.72 C ATOM 417 CG ARG A 30 3.202 -2.208 12.731 1.00 0.68 C ATOM 418 CD ARG A 30 4.325 -1.166 12.849 1.00 0.87 C ATOM 419 NE ARG A 30 5.572 -1.771 13.311 1.00 1.70 N ATOM 420 CZ ARG A 30 6.691 -1.086 13.531 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.723 0.225 13.330 1.00 1.93 N ATOM 422 NH2 ARG A 30 7.781 -1.712 13.953 1.00 3.00 N ATOM 0 H ARG A 30 1.230 -2.468 10.117 1.00 0.54 H new ATOM 0 HA ARG A 30 0.649 -3.378 12.859 1.00 0.63 H new ATOM 0 HB2 ARG A 30 1.868 -0.761 11.846 1.00 0.72 H new ATOM 0 HB3 ARG A 30 1.532 -1.100 13.531 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.210 -2.848 13.614 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.395 -2.849 11.871 1.00 0.68 H new ATOM 0 HD2 ARG A 30 4.486 -0.692 11.881 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.022 -0.380 13.541 1.00 0.87 H new ATOM 0 HE ARG A 30 5.585 -2.778 13.474 1.00 1.70 H new ATOM 0 HH11 ARG A 30 5.887 0.712 13.006 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.583 0.746 13.500 1.00 1.93 H new ATOM 0 HH21 ARG A 30 7.762 -2.720 14.109 1.00 3.00 H new ATOM 0 HH22 ARG A 30 8.638 -1.186 14.121 1.00 3.00 H new ATOM 436 N LYS A 31 -1.240 -1.939 13.473 1.00 0.57 N ATOM 437 CA LYS A 31 -2.564 -1.422 13.911 1.00 0.59 C ATOM 438 C LYS A 31 -2.743 0.123 13.991 1.00 0.64 C ATOM 439 O LYS A 31 -2.200 0.780 14.885 1.00 0.79 O ATOM 440 CB LYS A 31 -2.839 -2.018 15.318 1.00 0.73 C ATOM 441 CG LYS A 31 -4.204 -1.630 15.955 1.00 1.15 C ATOM 442 CD LYS A 31 -4.171 -1.545 17.508 1.00 1.44 C ATOM 443 CE LYS A 31 -3.893 -2.893 18.193 1.00 1.70 C ATOM 444 NZ LYS A 31 -3.832 -2.750 19.674 1.00 2.30 N ATOM 0 H LYS A 31 -0.747 -2.403 14.236 1.00 0.57 H new ATOM 0 HA LYS A 31 -3.265 -1.727 13.134 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -2.786 -3.105 15.250 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -2.041 -1.701 15.990 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -4.521 -0.667 15.554 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -4.955 -2.362 15.656 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -3.405 -0.830 17.808 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -5.126 -1.157 17.863 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -4.674 -3.605 17.927 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -2.951 -3.301 17.827 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -3.643 -3.678 20.105 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -3.070 -2.089 19.928 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -4.740 -2.384 20.025 1.00 2.30 H new ATOM 458 N ASP A 32 -3.543 0.650 13.020 1.00 0.61 N ATOM 459 CA ASP A 32 -3.999 2.099 12.882 1.00 0.72 C ATOM 460 C ASP A 32 -2.971 3.251 13.198 1.00 0.75 C ATOM 461 O ASP A 32 -3.254 4.125 14.025 1.00 1.00 O ATOM 462 CB ASP A 32 -5.264 2.301 13.743 1.00 0.86 C ATOM 463 CG ASP A 32 -6.564 2.069 12.984 1.00 0.95 C ATOM 464 OD1 ASP A 32 -6.707 0.995 12.362 1.00 1.01 O ATOM 465 OD2 ASP A 32 -7.436 2.963 13.014 1.00 1.17 O ATOM 0 H ASP A 32 -3.914 0.066 12.271 1.00 0.61 H new ATOM 0 HA ASP A 32 -4.165 2.210 11.811 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -5.225 1.623 14.595 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -5.263 3.315 14.143 1.00 0.86 H new ATOM 470 N PRO A 33 -1.773 3.264 12.554 1.00 0.59 N ATOM 471 CA PRO A 33 -0.746 4.304 12.783 1.00 0.66 C ATOM 472 C PRO A 33 -0.563 5.358 11.639 1.00 0.83 C ATOM 473 O PRO A 33 0.503 5.422 11.012 1.00 1.45 O ATOM 474 CB PRO A 33 0.486 3.398 12.891 1.00 0.59 C ATOM 475 CG PRO A 33 0.270 2.408 11.768 1.00 0.57 C ATOM 476 CD PRO A 33 -1.252 2.214 11.656 1.00 0.49 C ATOM 0 HA PRO A 33 -0.981 4.949 13.629 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.413 3.958 12.765 1.00 0.59 H new ATOM 0 HB3 PRO A 33 0.542 2.904 13.861 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.685 2.783 10.833 1.00 0.57 H new ATOM 0 HG3 PRO A 33 0.769 1.462 11.981 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.604 2.344 10.632 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.559 1.218 11.975 1.00 0.49 H new ATOM 715 N PRO A 49 -14.752 -10.246 0.132 1.00 0.82 N ATOM 716 CA PRO A 49 -13.263 -10.471 0.036 1.00 0.89 C ATOM 717 C PRO A 49 -12.615 -10.187 -1.336 1.00 0.75 C ATOM 718 O PRO A 49 -13.304 -10.083 -2.355 1.00 0.78 O ATOM 719 CB PRO A 49 -13.107 -11.978 0.344 1.00 1.31 C ATOM 720 CG PRO A 49 -14.369 -12.358 1.055 1.00 1.37 C ATOM 721 CD PRO A 49 -15.449 -11.533 0.392 1.00 1.05 C ATOM 0 HA PRO A 49 -12.760 -9.779 0.711 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.979 -12.557 -0.571 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.231 -12.166 0.965 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.571 -13.425 0.959 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.303 -12.140 2.121 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.806 -11.995 -0.528 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.316 -11.402 1.040 1.00 1.05 H new ATOM 729 N ILE A 50 -11.265 -10.077 -1.332 1.00 0.67 N ATOM 730 CA ILE A 50 -10.467 -9.819 -2.533 1.00 0.60 C ATOM 731 C ILE A 50 -10.123 -11.184 -3.253 1.00 0.64 C ATOM 732 O ILE A 50 -9.509 -12.090 -2.675 1.00 0.69 O ATOM 733 CB ILE A 50 -9.247 -8.799 -2.120 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.555 -7.345 -2.617 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.807 -9.162 -2.597 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.720 -6.634 -1.943 1.00 0.59 C ATOM 0 H ILE A 50 -10.705 -10.167 -0.484 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.998 -9.284 -3.320 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.227 -8.891 -1.034 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.659 -6.740 -2.479 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.752 -7.384 -3.688 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.107 -8.401 -2.252 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.521 -10.131 -2.187 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.785 -9.208 -3.686 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.835 -5.638 -2.370 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.635 -7.204 -2.101 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.525 -6.550 -0.874 1.00 0.59 H new ATOM 748 N LEU A 51 -10.569 -11.270 -4.530 1.00 0.65 N ATOM 749 CA LEU A 51 -10.451 -12.482 -5.398 1.00 0.71 C ATOM 750 C LEU A 51 -9.057 -12.778 -6.019 1.00 0.78 C ATOM 751 O LEU A 51 -8.840 -13.892 -6.505 1.00 1.26 O ATOM 752 CB LEU A 51 -11.472 -12.359 -6.538 1.00 0.74 C ATOM 753 CG LEU A 51 -12.932 -12.790 -6.228 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.931 -11.953 -7.026 1.00 1.22 C ATOM 755 CD2 LEU A 51 -13.155 -14.276 -6.526 1.00 1.28 C ATOM 0 H LEU A 51 -11.029 -10.490 -4.999 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.634 -13.320 -4.726 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.488 -11.320 -6.867 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -11.115 -12.954 -7.378 1.00 0.74 H new ATOM 0 HG LEU A 51 -13.095 -12.622 -5.164 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.945 -12.275 -6.791 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.814 -10.901 -6.765 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.747 -12.085 -8.092 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -14.187 -14.542 -6.297 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -12.955 -14.470 -7.580 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -12.482 -14.875 -5.913 1.00 1.28 H new ATOM 767 N ARG A 52 -8.117 -11.806 -6.003 1.00 0.58 N ATOM 768 CA ARG A 52 -6.759 -12.030 -6.550 1.00 0.58 C ATOM 769 C ARG A 52 -5.694 -12.335 -5.446 1.00 0.57 C ATOM 770 O ARG A 52 -4.489 -12.267 -5.707 1.00 0.65 O ATOM 771 CB ARG A 52 -6.311 -10.814 -7.391 1.00 0.57 C ATOM 772 CG ARG A 52 -5.950 -11.111 -8.873 1.00 0.70 C ATOM 773 CD ARG A 52 -7.173 -11.458 -9.746 1.00 0.64 C ATOM 774 NE ARG A 52 -6.797 -11.654 -11.144 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.640 -12.073 -12.085 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.903 -12.341 -11.781 1.00 1.34 N ATOM 777 NH2 ARG A 52 -7.218 -12.224 -13.334 1.00 1.51 N ATOM 0 H ARG A 52 -8.270 -10.872 -5.623 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.823 -12.915 -7.182 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -7.108 -10.071 -7.373 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.444 -10.363 -6.909 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -5.446 -10.243 -9.297 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -5.242 -11.939 -8.907 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.647 -12.363 -9.366 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.910 -10.658 -9.675 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.833 -11.459 -11.415 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -9.232 -12.226 -10.822 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.545 -12.662 -12.506 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -6.248 -12.019 -13.573 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.864 -12.545 -14.055 1.00 1.51 H new ATOM 791 N SER A 53 -6.161 -12.681 -4.220 1.00 0.53 N ATOM 792 CA SER A 53 -5.282 -13.013 -3.101 1.00 0.54 C ATOM 793 C SER A 53 -5.728 -14.334 -2.383 1.00 0.57 C ATOM 794 O SER A 53 -6.437 -15.176 -2.952 1.00 0.67 O ATOM 795 CB SER A 53 -5.233 -11.813 -2.123 1.00 0.53 C ATOM 796 OG SER A 53 -4.021 -11.809 -1.384 1.00 1.09 O ATOM 0 H SER A 53 -7.154 -12.734 -3.993 1.00 0.53 H new ATOM 0 HA SER A 53 -4.278 -13.201 -3.481 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.327 -10.881 -2.680 1.00 0.53 H new ATOM 0 HB3 SER A 53 -6.080 -11.862 -1.439 1.00 0.53 H new ATOM 0 HG SER A 53 -3.673 -10.894 -1.331 1.00 1.09 H new ATOM 802 N ASN A 54 -5.273 -14.492 -1.127 1.00 0.59 N ATOM 803 CA ASN A 54 -5.547 -15.668 -0.260 1.00 0.64 C ATOM 804 C ASN A 54 -6.737 -15.434 0.736 1.00 0.63 C ATOM 805 O ASN A 54 -7.212 -14.302 0.868 1.00 0.66 O ATOM 806 CB ASN A 54 -4.264 -15.899 0.551 1.00 0.80 C ATOM 807 CG ASN A 54 -3.594 -17.253 0.365 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.810 -17.956 -0.624 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.754 -17.600 1.334 1.00 1.12 N ATOM 0 H ASN A 54 -4.689 -13.792 -0.669 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.828 -16.517 -0.883 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.547 -15.121 0.289 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -4.498 -15.773 1.608 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -2.251 -18.486 1.280 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.612 -16.980 2.132 1.00 1.12 H new ATOM 816 N PRO A 55 -7.266 -16.512 1.445 1.00 0.71 N ATOM 817 CA PRO A 55 -8.354 -16.367 2.485 1.00 0.75 C ATOM 818 C PRO A 55 -7.858 -15.713 3.811 1.00 0.74 C ATOM 819 O PRO A 55 -8.600 -15.008 4.503 1.00 0.80 O ATOM 820 CB PRO A 55 -8.808 -17.821 2.729 1.00 0.89 C ATOM 821 CG PRO A 55 -7.589 -18.647 2.419 1.00 0.95 C ATOM 822 CD PRO A 55 -6.912 -17.947 1.250 1.00 0.83 C ATOM 0 HA PRO A 55 -9.149 -15.705 2.142 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -9.137 -17.968 3.758 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -9.645 -18.090 2.085 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -6.924 -18.704 3.281 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -7.863 -19.669 2.159 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.833 -18.099 1.263 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -7.275 -18.323 0.293 1.00 0.83 H new ATOM 830 N GLU A 56 -6.563 -15.955 4.110 1.00 0.71 N ATOM 831 CA GLU A 56 -5.847 -15.399 5.295 1.00 0.73 C ATOM 832 C GLU A 56 -5.270 -13.981 5.023 1.00 0.65 C ATOM 833 O GLU A 56 -5.345 -13.087 5.872 1.00 0.67 O ATOM 834 CB GLU A 56 -4.694 -16.360 5.725 1.00 0.80 C ATOM 835 CG GLU A 56 -3.783 -16.852 4.585 1.00 0.97 C ATOM 836 CD GLU A 56 -2.626 -17.693 5.093 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.577 -17.113 5.444 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.770 -18.934 5.142 1.00 2.04 O ATOM 0 H GLU A 56 -5.971 -16.550 3.531 1.00 0.71 H new ATOM 0 HA GLU A 56 -6.577 -15.311 6.099 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -4.077 -15.851 6.466 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -5.132 -17.228 6.217 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.372 -17.438 3.879 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.393 -15.993 4.039 1.00 0.97 H new ATOM 845 N ASP A 57 -4.755 -13.785 3.791 1.00 0.62 N ATOM 846 CA ASP A 57 -4.157 -12.516 3.352 1.00 0.58 C ATOM 847 C ASP A 57 -5.162 -11.524 2.662 1.00 0.52 C ATOM 848 O ASP A 57 -4.771 -10.411 2.277 1.00 0.53 O ATOM 849 CB ASP A 57 -2.977 -12.848 2.445 1.00 0.60 C ATOM 850 CG ASP A 57 -1.642 -12.451 3.023 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.349 -12.883 4.155 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.883 -11.736 2.339 1.00 1.62 O ATOM 0 H ASP A 57 -4.745 -14.509 3.073 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.828 -11.974 4.239 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -2.973 -13.920 2.245 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -3.113 -12.346 1.487 1.00 0.60 H new ATOM 857 N GLN A 58 -6.488 -11.908 2.569 1.00 0.52 N ATOM 858 CA GLN A 58 -7.577 -11.036 2.013 1.00 0.51 C ATOM 859 C GLN A 58 -7.856 -9.820 2.954 1.00 0.50 C ATOM 860 O GLN A 58 -8.181 -8.742 2.499 1.00 0.49 O ATOM 861 CB GLN A 58 -8.880 -11.849 1.774 1.00 0.60 C ATOM 862 CG GLN A 58 -9.551 -12.403 3.043 1.00 0.84 C ATOM 863 CD GLN A 58 -10.802 -13.218 2.748 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.892 -13.902 1.725 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.778 -13.149 3.647 1.00 1.77 N ATOM 0 H GLN A 58 -6.820 -12.822 2.876 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.234 -10.654 1.051 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -9.595 -11.213 1.253 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.652 -12.683 1.110 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -8.837 -13.026 3.582 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.811 -11.574 3.701 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.664 -12.572 4.480 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.641 -13.674 3.504 1.00 1.77 H new ATOM 874 N VAL A 59 -7.627 -10.041 4.291 1.00 0.52 N ATOM 875 CA VAL A 59 -7.710 -9.001 5.396 1.00 0.54 C ATOM 876 C VAL A 59 -6.653 -7.875 5.120 1.00 0.52 C ATOM 877 O VAL A 59 -6.979 -6.696 5.139 1.00 0.55 O ATOM 878 CB VAL A 59 -7.465 -9.663 6.854 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.370 -8.654 8.036 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.569 -10.642 7.223 1.00 0.81 C ATOM 0 H VAL A 59 -7.374 -10.963 4.646 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.713 -8.573 5.399 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.498 -10.152 6.734 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.206 -9.198 8.966 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.539 -7.969 7.864 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.299 -8.087 8.106 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.367 -11.064 8.208 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.526 -10.121 7.241 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.606 -11.444 6.485 1.00 0.81 H new ATOM 890 N LEU A 60 -5.401 -8.307 4.822 1.00 0.49 N ATOM 891 CA LEU A 60 -4.274 -7.402 4.479 1.00 0.48 C ATOM 892 C LEU A 60 -4.404 -6.727 3.059 1.00 0.49 C ATOM 893 O LEU A 60 -3.675 -5.798 2.740 1.00 0.65 O ATOM 894 CB LEU A 60 -2.969 -8.237 4.588 1.00 0.52 C ATOM 895 CG LEU A 60 -1.654 -7.606 4.046 1.00 0.71 C ATOM 896 CD1 LEU A 60 -1.103 -6.554 4.972 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.571 -8.628 3.845 1.00 0.90 C ATOM 0 H LEU A 60 -5.144 -9.294 4.813 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.273 -6.565 5.177 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.815 -8.481 5.639 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -3.129 -9.179 4.063 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.932 -7.160 3.091 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.185 -6.143 4.551 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.836 -5.756 5.093 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.888 -7.000 5.943 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.326 -8.138 3.466 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.346 -9.111 4.796 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.906 -9.377 3.127 1.00 0.90 H new ATOM 909 N TYR A 61 -5.319 -7.234 2.243 1.00 0.44 N ATOM 910 CA TYR A 61 -5.612 -6.688 0.901 1.00 0.45 C ATOM 911 C TYR A 61 -7.120 -6.285 0.711 1.00 0.47 C ATOM 912 O TYR A 61 -7.593 -6.179 -0.422 1.00 0.52 O ATOM 913 CB TYR A 61 -5.154 -7.712 -0.165 1.00 0.44 C ATOM 914 CG TYR A 61 -3.637 -8.052 -0.122 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.658 -7.051 -0.122 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.185 -9.371 -0.074 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.305 -7.357 -0.078 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.833 -9.677 -0.029 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.904 -8.668 -0.032 1.00 0.72 C ATOM 920 OH TYR A 61 0.438 -8.973 0.012 1.00 0.88 O ATOM 0 H TYR A 61 -5.890 -8.043 2.486 1.00 0.44 H new ATOM 0 HA TYR A 61 -5.055 -5.759 0.783 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.724 -8.632 -0.035 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.398 -7.323 -1.153 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.963 -6.016 -0.157 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.907 -10.175 -0.072 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.570 -6.565 -0.080 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.512 -10.708 0.008 1.00 0.92 H new ATOM 0 HH TYR A 61 0.552 -9.946 0.042 1.00 0.88 H new ATOM 930 N GLN A 62 -7.852 -6.040 1.837 1.00 0.50 N ATOM 931 CA GLN A 62 -9.322 -5.685 1.806 1.00 0.57 C ATOM 932 C GLN A 62 -9.794 -4.627 2.854 1.00 0.70 C ATOM 933 O GLN A 62 -10.727 -3.874 2.566 1.00 1.33 O ATOM 934 CB GLN A 62 -10.170 -6.971 2.020 1.00 0.57 C ATOM 935 CG GLN A 62 -11.709 -6.827 1.898 1.00 0.75 C ATOM 936 CD GLN A 62 -12.418 -7.210 3.187 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.769 -6.349 3.994 1.00 1.26 O ATOM 938 NE2 GLN A 62 -12.597 -8.507 3.408 1.00 1.02 N ATOM 0 H GLN A 62 -7.459 -6.079 2.778 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.469 -5.231 0.826 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.841 -7.718 1.297 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.944 -7.365 3.011 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.958 -5.798 1.639 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -12.069 -7.457 1.085 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -12.292 -9.189 2.714 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.040 -8.821 4.272 1.00 1.02 H new ATOM 947 N THR A 63 -9.181 -4.587 4.058 1.00 0.58 N ATOM 948 CA THR A 63 -9.593 -3.639 5.193 1.00 0.62 C ATOM 949 C THR A 63 -9.251 -2.118 4.949 1.00 0.76 C ATOM 950 O THR A 63 -8.148 -1.789 4.513 1.00 1.28 O ATOM 951 CB THR A 63 -9.021 -4.102 6.594 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.630 -4.434 6.524 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.798 -5.301 7.188 1.00 0.60 C ATOM 0 H THR A 63 -8.394 -5.190 4.299 1.00 0.58 H new ATOM 0 HA THR A 63 -10.681 -3.708 5.204 1.00 0.62 H new ATOM 0 HB THR A 63 -9.151 -3.245 7.255 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.520 -5.284 6.049 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.363 -5.576 8.149 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.843 -5.024 7.329 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.736 -6.149 6.505 1.00 0.60 H new ATOM 961 N GLU A 64 -10.222 -1.215 5.282 1.00 0.57 N ATOM 962 CA GLU A 64 -10.098 0.269 5.046 1.00 0.60 C ATOM 963 C GLU A 64 -10.251 1.166 6.306 1.00 0.64 C ATOM 964 O GLU A 64 -11.019 0.862 7.222 1.00 0.69 O ATOM 965 CB GLU A 64 -11.182 0.743 4.044 1.00 0.67 C ATOM 966 CG GLU A 64 -12.478 -0.093 4.053 1.00 0.84 C ATOM 967 CD GLU A 64 -13.509 0.402 3.059 1.00 1.07 C ATOM 968 OE1 GLU A 64 -13.376 0.088 1.858 1.00 1.53 O ATOM 969 OE2 GLU A 64 -14.452 1.104 3.482 1.00 1.50 O ATOM 0 H GLU A 64 -11.104 -1.485 5.717 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.080 0.386 4.675 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.433 1.780 4.266 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.761 0.725 3.039 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.235 -1.132 3.829 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.909 -0.075 5.054 1.00 0.84 H new ATOM 1050 N ASP A 69 -8.831 14.041 3.620 1.00 0.76 N ATOM 1051 CA ASP A 69 -7.826 15.101 3.334 1.00 0.75 C ATOM 1052 C ASP A 69 -6.509 14.500 2.762 1.00 0.69 C ATOM 1053 O ASP A 69 -6.494 13.401 2.198 1.00 1.33 O ATOM 1054 CB ASP A 69 -7.540 15.910 4.623 1.00 1.17 C ATOM 1055 CG ASP A 69 -7.718 17.418 4.454 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -8.857 17.906 4.618 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -6.717 18.106 4.156 1.00 2.15 O ATOM 0 HA ASP A 69 -8.237 15.766 2.575 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -8.203 15.561 5.415 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -6.520 15.708 4.949 1.00 1.17 H new ATOM 1062 N SER A 70 -5.408 15.290 2.847 1.00 0.72 N ATOM 1063 CA SER A 70 -4.043 14.866 2.441 1.00 0.57 C ATOM 1064 C SER A 70 -3.356 14.197 3.655 1.00 0.53 C ATOM 1065 O SER A 70 -2.814 14.879 4.536 1.00 0.57 O ATOM 1066 CB SER A 70 -3.251 16.092 1.965 1.00 0.70 C ATOM 1067 OG SER A 70 -2.241 15.740 1.030 1.00 0.77 O ATOM 0 H SER A 70 -5.443 16.246 3.202 1.00 0.72 H new ATOM 0 HA SER A 70 -4.088 14.151 1.620 1.00 0.57 H new ATOM 0 HB2 SER A 70 -3.933 16.810 1.510 1.00 0.70 H new ATOM 0 HB3 SER A 70 -2.795 16.585 2.823 1.00 0.70 H new ATOM 0 HG SER A 70 -2.093 16.486 0.412 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.393 12.853 3.682 1.00 0.49 N ATOM 1074 CA PHE A 71 -2.877 12.097 4.833 1.00 0.47 C ATOM 1075 C PHE A 71 -2.041 10.869 4.454 1.00 0.33 C ATOM 1076 O PHE A 71 -2.289 10.195 3.442 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.048 11.675 5.779 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.202 10.884 5.130 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.265 11.528 4.487 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.206 9.493 5.147 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.288 10.800 3.889 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.226 8.767 4.551 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.336 9.472 3.977 1.00 0.67 C ATOM 0 H PHE A 71 -3.770 12.276 2.930 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.200 12.776 5.351 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.634 11.073 6.588 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.463 12.575 6.232 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.291 12.607 4.455 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.398 8.968 5.634 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.059 11.322 3.342 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -6.186 7.688 4.519 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.201 8.932 3.620 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.037 10.605 5.299 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.175 9.456 5.114 1.00 0.41 C ATOM 1095 C GLY A 72 0.797 9.181 6.253 1.00 0.33 C ATOM 1096 O GLY A 72 0.759 9.807 7.322 1.00 0.47 O ATOM 0 H GLY A 72 -0.811 11.177 6.113 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.799 8.574 4.970 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.397 9.595 4.196 1.00 0.41 H new ATOM 1100 N TYR A 73 1.671 8.210 5.988 1.00 0.28 N ATOM 1101 CA TYR A 73 2.665 7.721 6.963 1.00 0.24 C ATOM 1102 C TYR A 73 4.106 8.221 6.718 1.00 0.21 C ATOM 1103 O TYR A 73 4.466 8.679 5.623 1.00 0.27 O ATOM 1104 CB TYR A 73 2.694 6.166 6.998 1.00 0.36 C ATOM 1105 CG TYR A 73 1.566 5.450 6.225 1.00 0.33 C ATOM 1106 CD1 TYR A 73 1.564 5.368 4.828 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.500 4.857 6.903 1.00 0.48 C ATOM 1108 CE1 TYR A 73 0.543 4.723 4.150 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.517 4.210 6.224 1.00 0.62 C ATOM 1110 CZ TYR A 73 -0.459 4.159 4.798 1.00 0.68 C ATOM 1111 OH TYR A 73 -1.504 3.507 4.181 1.00 0.89 O ATOM 0 H TYR A 73 1.715 7.733 5.087 1.00 0.28 H new ATOM 0 HA TYR A 73 2.333 8.133 7.916 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.651 5.831 6.597 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.654 5.845 8.039 1.00 0.36 H new ATOM 0 HD1 TYR A 73 2.373 5.815 4.269 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.468 4.904 7.982 1.00 0.48 H new ATOM 0 HE1 TYR A 73 0.567 4.681 3.071 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.336 3.754 6.760 1.00 0.62 H new ATOM 0 HH TYR A 73 -1.389 3.551 3.209 1.00 0.89 H new ATOM 1121 N ASP A 74 4.924 8.090 7.781 1.00 0.17 N ATOM 1122 CA ASP A 74 6.346 8.489 7.768 1.00 0.16 C ATOM 1123 C ASP A 74 7.255 7.287 8.087 1.00 0.15 C ATOM 1124 O ASP A 74 7.112 6.634 9.129 1.00 0.24 O ATOM 1125 CB ASP A 74 6.615 9.620 8.781 1.00 0.21 C ATOM 1126 CG ASP A 74 6.308 11.015 8.238 1.00 0.26 C ATOM 1127 OD1 ASP A 74 6.883 11.387 7.192 1.00 0.51 O ATOM 1128 OD2 ASP A 74 5.495 11.731 8.861 1.00 0.40 O ATOM 0 H ASP A 74 4.617 7.704 8.674 1.00 0.17 H new ATOM 0 HA ASP A 74 6.574 8.853 6.766 1.00 0.16 H new ATOM 0 HB2 ASP A 74 6.014 9.447 9.674 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.660 9.581 9.087 1.00 0.21 H new ATOM 1133 N ILE A 75 8.204 7.023 7.176 1.00 0.10 N ATOM 1134 CA ILE A 75 9.151 5.901 7.304 1.00 0.09 C ATOM 1135 C ILE A 75 10.608 6.439 7.491 1.00 0.08 C ATOM 1136 O ILE A 75 11.231 6.836 6.509 1.00 0.12 O ATOM 1137 CB ILE A 75 9.053 4.929 6.033 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.592 4.505 5.727 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.880 3.622 6.178 1.00 0.14 C ATOM 1140 CD1 ILE A 75 6.961 5.167 4.522 1.00 0.15 C ATOM 0 H ILE A 75 8.338 7.579 6.331 1.00 0.10 H new ATOM 0 HA ILE A 75 8.886 5.321 8.188 1.00 0.09 H new ATOM 0 HB ILE A 75 9.463 5.528 5.220 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.569 3.425 5.580 1.00 0.13 H new ATOM 0 HG13 ILE A 75 6.978 4.721 6.602 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.764 3.016 5.279 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.932 3.871 6.314 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.525 3.061 7.042 1.00 0.14 H new ATOM 0 HD11 ILE A 75 5.942 4.801 4.398 1.00 0.15 H new ATOM 0 HD12 ILE A 75 6.943 6.247 4.668 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.543 4.931 3.631 1.00 0.15 H new ATOM 1152 N PRO A 76 11.180 6.449 8.746 1.00 0.09 N ATOM 1153 CA PRO A 76 12.558 6.930 8.970 1.00 0.10 C ATOM 1154 C PRO A 76 13.671 5.885 8.676 1.00 0.09 C ATOM 1155 O PRO A 76 13.689 4.790 9.247 1.00 0.11 O ATOM 1156 CB PRO A 76 12.532 7.343 10.440 1.00 0.14 C ATOM 1157 CG PRO A 76 11.606 6.345 11.085 1.00 0.15 C ATOM 1158 CD PRO A 76 10.541 6.043 10.033 1.00 0.12 C ATOM 0 HA PRO A 76 12.817 7.735 8.282 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.528 7.307 10.882 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.166 8.363 10.561 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.142 5.440 11.373 1.00 0.15 H new ATOM 0 HG3 PRO A 76 11.159 6.753 11.992 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.272 4.987 10.029 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.626 6.605 10.219 1.00 0.12 H new ATOM 1166 N ILE A 77 14.580 6.266 7.765 1.00 0.09 N ATOM 1167 CA ILE A 77 15.702 5.412 7.321 1.00 0.10 C ATOM 1168 C ILE A 77 17.075 6.142 7.524 1.00 0.13 C ATOM 1169 O ILE A 77 17.151 7.366 7.702 1.00 0.19 O ATOM 1170 CB ILE A 77 15.532 4.986 5.793 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.033 4.870 5.379 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.217 3.610 5.456 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.541 5.804 4.287 1.00 0.19 C ATOM 0 H ILE A 77 14.561 7.179 7.311 1.00 0.09 H new ATOM 0 HA ILE A 77 15.690 4.511 7.934 1.00 0.10 H new ATOM 0 HB ILE A 77 16.022 5.783 5.234 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.850 3.845 5.055 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.423 5.037 6.267 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.066 3.377 4.402 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.285 3.675 5.664 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.775 2.824 6.069 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.484 5.618 4.098 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.676 6.838 4.604 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.110 5.628 3.374 1.00 0.19 H new ATOM 1185 N LYS A 78 18.143 5.338 7.482 1.00 0.15 N ATOM 1186 CA LYS A 78 19.533 5.807 7.626 1.00 0.20 C ATOM 1187 C LYS A 78 20.535 4.879 6.872 1.00 0.21 C ATOM 1188 O LYS A 78 21.721 4.835 7.217 1.00 0.25 O ATOM 1189 CB LYS A 78 19.924 5.925 9.130 1.00 0.27 C ATOM 1190 CG LYS A 78 19.432 4.750 10.013 1.00 0.87 C ATOM 1191 CD LYS A 78 19.970 4.797 11.470 1.00 1.32 C ATOM 1192 CE LYS A 78 19.464 6.008 12.276 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.747 5.852 13.731 1.00 2.53 N ATOM 0 H LYS A 78 18.070 4.330 7.345 1.00 0.15 H new ATOM 0 HA LYS A 78 19.592 6.796 7.172 1.00 0.20 H new ATOM 0 HB2 LYS A 78 21.009 5.992 9.207 1.00 0.27 H new ATOM 0 HB3 LYS A 78 19.519 6.856 9.526 1.00 0.27 H new ATOM 0 HG2 LYS A 78 18.342 4.756 10.037 1.00 0.87 H new ATOM 0 HG3 LYS A 78 19.735 3.809 9.553 1.00 0.87 H new ATOM 0 HD2 LYS A 78 19.680 3.881 11.985 1.00 1.32 H new ATOM 0 HD3 LYS A 78 21.060 4.817 11.446 1.00 1.32 H new ATOM 0 HE2 LYS A 78 19.940 6.917 11.907 1.00 1.91 H new ATOM 0 HE3 LYS A 78 18.391 6.125 12.123 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 19.394 6.684 14.245 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 19.272 4.998 14.087 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 20.773 5.765 13.878 1.00 2.53 H new ATOM 1207 N GLU A 79 20.051 4.149 5.829 1.00 0.19 N ATOM 1208 CA GLU A 79 20.883 3.241 5.033 1.00 0.22 C ATOM 1209 C GLU A 79 20.645 3.449 3.524 1.00 0.20 C ATOM 1210 O GLU A 79 19.584 3.932 3.101 1.00 0.18 O ATOM 1211 CB GLU A 79 20.572 1.782 5.415 1.00 0.24 C ATOM 1212 CG GLU A 79 21.205 1.305 6.739 1.00 0.55 C ATOM 1213 CD GLU A 79 22.696 1.028 6.616 1.00 1.17 C ATOM 1214 OE1 GLU A 79 23.060 -0.098 6.218 1.00 1.03 O ATOM 1215 OE2 GLU A 79 23.495 1.940 6.919 1.00 2.12 O ATOM 0 H GLU A 79 19.077 4.182 5.528 1.00 0.19 H new ATOM 0 HA GLU A 79 21.929 3.460 5.246 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.491 1.663 5.483 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.914 1.131 4.611 1.00 0.24 H new ATOM 0 HG2 GLU A 79 21.043 2.062 7.507 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.699 0.399 7.073 1.00 0.55 H new ATOM 1222 N GLU A 80 21.637 3.061 2.709 1.00 0.26 N ATOM 1223 CA GLU A 80 21.548 3.221 1.251 1.00 0.25 C ATOM 1224 C GLU A 80 21.596 1.887 0.482 1.00 0.27 C ATOM 1225 O GLU A 80 22.295 0.938 0.860 1.00 0.32 O ATOM 1226 CB GLU A 80 22.679 4.138 0.758 1.00 0.27 C ATOM 1227 CG GLU A 80 22.582 5.612 1.208 1.00 0.28 C ATOM 1228 CD GLU A 80 23.734 6.012 2.111 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.819 6.336 1.583 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.552 6.002 3.348 1.00 0.42 O ATOM 0 H GLU A 80 22.506 2.636 3.033 1.00 0.26 H new ATOM 0 HA GLU A 80 20.574 3.666 1.048 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.630 3.732 1.104 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.698 4.109 -0.331 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.569 6.258 0.330 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.640 5.769 1.733 1.00 0.28 H new ATOM 1237 N GLY A 81 20.844 1.864 -0.621 1.00 0.22 N ATOM 1238 CA GLY A 81 20.757 0.691 -1.490 1.00 0.23 C ATOM 1239 C GLY A 81 19.531 0.735 -2.396 1.00 0.19 C ATOM 1240 O GLY A 81 19.238 1.790 -2.981 1.00 0.18 O ATOM 0 H GLY A 81 20.281 2.655 -0.935 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.657 0.627 -2.102 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.722 -0.211 -0.878 1.00 0.23 H new ATOM 1244 N GLU A 82 18.802 -0.403 -2.550 1.00 0.20 N ATOM 1245 CA GLU A 82 17.593 -0.393 -3.384 1.00 0.17 C ATOM 1246 C GLU A 82 16.342 -0.708 -2.543 1.00 0.18 C ATOM 1247 O GLU A 82 16.111 -1.849 -2.162 1.00 0.30 O ATOM 1248 CB GLU A 82 17.718 -1.405 -4.538 1.00 0.19 C ATOM 1249 CG GLU A 82 18.859 -1.160 -5.547 1.00 0.26 C ATOM 1250 CD GLU A 82 18.769 0.181 -6.261 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.902 0.324 -7.148 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.566 1.084 -5.929 1.00 1.75 O ATOM 0 H GLU A 82 19.027 -1.301 -2.122 1.00 0.20 H new ATOM 0 HA GLU A 82 17.487 0.607 -3.804 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.850 -2.398 -4.108 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.775 -1.417 -5.085 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.813 -1.219 -5.024 1.00 0.26 H new ATOM 0 HG3 GLU A 82 18.853 -1.958 -6.290 1.00 0.26 H new ATOM 1259 N TYR A 83 15.508 0.314 -2.274 1.00 0.08 N ATOM 1260 CA TYR A 83 14.286 0.119 -1.466 1.00 0.08 C ATOM 1261 C TYR A 83 13.049 0.026 -2.358 1.00 0.08 C ATOM 1262 O TYR A 83 12.845 0.840 -3.249 1.00 0.12 O ATOM 1263 CB TYR A 83 14.107 1.218 -0.403 1.00 0.10 C ATOM 1264 CG TYR A 83 15.176 1.206 0.699 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.487 1.622 0.454 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.868 0.784 1.993 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.436 1.614 1.454 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.816 0.779 2.992 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.133 1.170 2.681 1.00 0.16 C ATOM 1270 OH TYR A 83 18.042 1.201 3.709 1.00 0.21 O ATOM 0 H TYR A 83 15.653 1.270 -2.598 1.00 0.08 H new ATOM 0 HA TYR A 83 14.405 -0.826 -0.936 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.120 2.190 -0.896 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.125 1.107 0.057 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.762 1.956 -0.536 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.864 0.454 2.216 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.434 1.969 1.246 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.554 0.480 3.996 1.00 0.19 H new ATOM 0 HH TYR A 83 17.631 0.836 4.520 1.00 0.21 H new ATOM 1280 N VAL A 84 12.222 -0.988 -2.095 1.00 0.08 N ATOM 1281 CA VAL A 84 11.016 -1.248 -2.927 1.00 0.10 C ATOM 1282 C VAL A 84 9.723 -0.966 -2.129 1.00 0.10 C ATOM 1283 O VAL A 84 9.472 -1.553 -1.067 1.00 0.10 O ATOM 1284 CB VAL A 84 10.954 -2.725 -3.581 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.223 -2.737 -4.951 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.332 -3.385 -3.799 1.00 0.20 C ATOM 0 H VAL A 84 12.352 -1.643 -1.324 1.00 0.08 H new ATOM 0 HA VAL A 84 11.097 -0.554 -3.764 1.00 0.10 H new ATOM 0 HB VAL A 84 10.401 -3.299 -2.838 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.209 -3.752 -5.347 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.200 -2.384 -4.821 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.746 -2.083 -5.648 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.197 -4.372 -4.241 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.930 -2.766 -4.468 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.844 -3.483 -2.842 1.00 0.20 H new ATOM 1296 N LEU A 85 8.912 -0.061 -2.702 1.00 0.12 N ATOM 1297 CA LEU A 85 7.625 0.338 -2.129 1.00 0.15 C ATOM 1298 C LEU A 85 6.468 -0.337 -2.910 1.00 0.16 C ATOM 1299 O LEU A 85 6.169 0.039 -4.050 1.00 0.21 O ATOM 1300 CB LEU A 85 7.496 1.873 -2.217 1.00 0.25 C ATOM 1301 CG LEU A 85 6.768 2.611 -1.054 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.478 3.909 -0.700 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.318 2.920 -1.408 1.00 0.61 C ATOM 0 H LEU A 85 9.135 0.413 -3.577 1.00 0.12 H new ATOM 0 HA LEU A 85 7.571 0.024 -1.087 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.500 2.289 -2.300 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.974 2.112 -3.144 1.00 0.25 H new ATOM 0 HG LEU A 85 6.788 1.940 -0.195 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.948 4.403 0.115 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.500 3.692 -0.389 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.495 4.564 -1.571 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.842 3.435 -0.574 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.287 3.556 -2.292 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.787 1.990 -1.611 1.00 0.61 H new ATOM 1315 N VAL A 86 5.845 -1.350 -2.286 1.00 0.17 N ATOM 1316 CA VAL A 86 4.729 -2.121 -2.921 1.00 0.21 C ATOM 1317 C VAL A 86 3.419 -1.914 -2.104 1.00 0.21 C ATOM 1318 O VAL A 86 3.369 -2.220 -0.910 1.00 0.27 O ATOM 1319 CB VAL A 86 5.010 -3.712 -3.077 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.181 -4.363 -4.220 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.496 -4.094 -3.314 1.00 0.32 C ATOM 0 H VAL A 86 6.084 -1.664 -1.345 1.00 0.17 H new ATOM 0 HA VAL A 86 4.637 -1.726 -3.933 1.00 0.21 H new ATOM 0 HB VAL A 86 4.702 -4.099 -2.106 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.411 -5.427 -4.276 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.118 -4.232 -4.019 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.432 -3.887 -5.168 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.583 -5.177 -3.405 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.851 -3.623 -4.230 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.098 -3.751 -2.473 1.00 0.32 H new ATOM 1331 N LEU A 87 2.365 -1.416 -2.776 1.00 0.20 N ATOM 1332 CA LEU A 87 1.059 -1.200 -2.104 1.00 0.22 C ATOM 1333 C LEU A 87 -0.130 -1.734 -2.916 1.00 0.22 C ATOM 1334 O LEU A 87 -0.154 -1.655 -4.153 1.00 0.26 O ATOM 1335 CB LEU A 87 0.776 0.305 -1.762 1.00 0.31 C ATOM 1336 CG LEU A 87 1.547 1.413 -2.544 1.00 0.50 C ATOM 1337 CD1 LEU A 87 1.019 1.606 -3.966 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.475 2.744 -1.794 1.00 0.88 C ATOM 0 H LEU A 87 2.384 -1.159 -3.763 1.00 0.20 H new ATOM 0 HA LEU A 87 1.150 -1.766 -1.177 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.290 0.481 -1.906 1.00 0.31 H new ATOM 0 HB3 LEU A 87 0.982 0.446 -0.701 1.00 0.31 H new ATOM 0 HG LEU A 87 2.582 1.079 -2.616 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.592 2.389 -4.464 1.00 1.25 H new ATOM 0 HD12 LEU A 87 1.120 0.674 -4.521 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.032 1.894 -3.928 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.018 3.506 -2.353 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.433 3.045 -1.687 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.923 2.630 -0.807 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.136 -2.266 -2.190 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.380 -2.763 -2.835 1.00 0.26 C ATOM 1352 C LYS A 88 -3.554 -1.803 -2.573 1.00 0.27 C ATOM 1353 O LYS A 88 -3.907 -1.520 -1.423 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.780 -4.171 -2.336 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.645 -5.020 -3.308 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.799 -5.849 -4.317 1.00 1.53 C ATOM 1357 CE LYS A 88 -2.316 -7.200 -3.755 1.00 2.13 C ATOM 1358 NZ LYS A 88 -1.664 -8.030 -4.806 1.00 2.52 N ATOM 0 H LYS A 88 -1.118 -2.364 -1.175 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.167 -2.818 -3.903 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.870 -4.727 -2.112 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.325 -4.061 -1.399 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -4.273 -5.697 -2.728 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -4.313 -4.360 -3.861 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -3.392 -6.029 -5.213 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.933 -5.261 -4.621 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.613 -7.025 -2.940 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -3.162 -7.743 -3.335 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -1.321 -8.917 -4.385 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -2.353 -8.246 -5.555 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -0.862 -7.508 -5.213 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.167 -1.325 -3.661 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.325 -0.421 -3.576 1.00 0.29 C ATOM 1374 C PHE A 89 -6.623 -1.171 -3.946 1.00 0.31 C ATOM 1375 O PHE A 89 -6.667 -1.936 -4.921 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.161 0.783 -4.526 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.358 1.966 -3.979 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.790 2.641 -2.838 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.191 2.426 -4.611 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.098 3.730 -2.347 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.501 3.509 -4.110 1.00 0.26 C ATOM 1382 CZ PHE A 89 -2.951 4.160 -2.987 1.00 0.31 C ATOM 0 H PHE A 89 -3.882 -1.548 -4.614 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.384 -0.062 -2.549 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.681 0.436 -5.441 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.153 1.140 -4.802 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.682 2.306 -2.329 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.831 1.926 -5.498 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.452 4.244 -1.466 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.602 3.848 -4.603 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.407 5.010 -2.603 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.685 -0.950 -3.141 1.00 0.33 N ATOM 1393 CA ALA A 90 -9.009 -1.619 -3.346 1.00 0.36 C ATOM 1394 C ALA A 90 -10.203 -0.648 -3.071 1.00 0.39 C ATOM 1395 O ALA A 90 -10.097 0.294 -2.256 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.137 -2.909 -2.466 1.00 0.41 C ATOM 0 H ALA A 90 -7.661 -0.316 -2.342 1.00 0.33 H new ATOM 0 HA ALA A 90 -9.055 -1.912 -4.395 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.109 -3.371 -2.638 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.348 -3.612 -2.734 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.043 -2.642 -1.413 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.334 -0.876 -3.788 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.563 -0.070 -3.637 1.00 0.53 C ATOM 1404 C GLU A 91 -13.815 -0.931 -3.895 1.00 0.63 C ATOM 1405 O GLU A 91 -13.979 -1.501 -4.981 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.548 1.132 -4.606 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.506 2.277 -4.232 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.562 3.357 -5.294 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.299 3.178 -6.287 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -12.869 4.384 -5.135 1.00 2.61 O ATOM 0 H GLU A 91 -11.415 -1.620 -4.481 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.596 0.302 -2.613 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.534 1.528 -4.655 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.801 0.778 -5.605 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.506 1.873 -4.076 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.189 2.718 -3.287 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.703 -1.006 -2.886 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.960 -1.808 -2.991 1.00 0.76 C ATOM 1419 C VAL A 92 -17.216 -0.999 -2.541 1.00 0.66 C ATOM 1420 O VAL A 92 -17.782 -1.251 -1.470 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.937 -3.240 -2.244 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.496 -4.366 -3.201 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.065 -3.319 -0.950 1.00 2.00 C ATOM 0 H VAL A 92 -14.585 -0.529 -1.992 1.00 0.60 H new ATOM 0 HA VAL A 92 -16.025 -2.027 -4.057 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.971 -3.372 -1.926 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.491 -5.316 -2.667 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.191 -4.424 -4.039 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.494 -4.155 -3.574 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -15.123 -4.324 -0.533 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -14.028 -3.087 -1.195 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -15.434 -2.600 -0.218 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.637 -0.024 -3.378 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.828 0.815 -3.094 1.00 0.80 C ATOM 1435 C TYR A 93 -19.307 1.613 -4.332 1.00 0.86 C ATOM 1436 O TYR A 93 -20.513 1.690 -4.579 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.572 1.792 -1.921 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.746 1.896 -0.930 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -20.797 2.796 -1.140 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -19.788 1.111 0.230 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -21.843 2.902 -0.236 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -20.832 1.220 1.132 1.00 1.47 C ATOM 1443 CZ TYR A 93 -21.898 2.055 0.846 1.00 1.67 C ATOM 1444 OH TYR A 93 -22.889 2.226 1.791 1.00 2.27 O ATOM 0 H TYR A 93 -17.171 0.203 -4.256 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.618 0.118 -2.815 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.681 1.471 -1.381 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.361 2.782 -2.325 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.793 3.419 -2.022 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -18.991 0.408 0.424 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -22.612 3.647 -0.381 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -20.815 0.657 2.053 1.00 1.47 H new ATOM 0 HH TYR A 93 -22.793 1.548 2.492 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.364 2.204 -5.108 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.706 3.004 -6.303 1.00 0.82 C ATOM 1456 C PHE A 94 -18.141 2.400 -7.601 1.00 0.76 C ATOM 1457 O PHE A 94 -16.956 2.053 -7.682 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.175 4.441 -6.156 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.926 5.295 -5.140 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -20.145 5.900 -5.461 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -18.411 5.489 -3.858 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -20.822 6.669 -4.530 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -19.089 6.260 -2.928 1.00 1.23 C ATOM 1464 CZ PHE A 94 -20.309 6.873 -3.295 1.00 1.37 C ATOM 0 H PHE A 94 -17.363 2.139 -4.925 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.794 3.004 -6.373 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -17.124 4.398 -5.869 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.220 4.932 -7.128 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -20.564 5.766 -6.447 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -17.471 5.032 -3.587 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -21.771 7.112 -4.793 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -18.690 6.391 -1.933 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.831 7.503 -2.590 1.00 1.37 H new ATOM 1474 N ALA A 95 -19.019 2.296 -8.631 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.645 1.751 -9.957 1.00 0.73 C ATOM 1476 C ALA A 95 -18.639 2.872 -11.045 1.00 0.72 C ATOM 1477 O ALA A 95 -19.686 3.292 -11.578 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.570 0.561 -10.340 1.00 0.82 C ATOM 0 H ALA A 95 -19.995 2.585 -8.565 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.627 1.365 -9.899 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.280 0.174 -11.317 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.475 -0.228 -9.594 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.605 0.902 -10.378 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.427 3.398 -11.314 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.222 4.470 -12.320 1.00 0.66 C ATOM 1486 C GLN A 96 -15.750 4.560 -12.780 1.00 0.58 C ATOM 1487 O GLN A 96 -14.816 4.417 -11.980 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.698 5.851 -11.782 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.211 6.205 -10.365 1.00 1.40 C ATOM 1490 CD GLN A 96 -17.839 7.481 -9.824 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -18.147 8.411 -10.574 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -18.032 7.534 -8.512 1.00 2.45 N ATOM 0 H GLN A 96 -16.570 3.099 -10.849 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.829 4.204 -13.185 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.361 6.627 -12.469 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -18.788 5.870 -11.790 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.440 5.380 -9.691 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -16.127 6.316 -10.376 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -17.764 6.744 -7.925 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -18.448 8.365 -8.091 1.00 2.45 H new ATOM 1501 N SER A 97 -15.564 4.830 -14.087 1.00 0.64 N ATOM 1502 CA SER A 97 -14.224 4.941 -14.702 1.00 0.62 C ATOM 1503 C SER A 97 -13.999 6.309 -15.371 1.00 0.81 C ATOM 1504 O SER A 97 -14.770 6.726 -16.245 1.00 1.66 O ATOM 1505 CB SER A 97 -14.027 3.830 -15.743 1.00 0.68 C ATOM 1506 OG SER A 97 -13.808 2.570 -15.131 1.00 0.73 O ATOM 0 H SER A 97 -16.331 4.977 -14.743 1.00 0.64 H new ATOM 0 HA SER A 97 -13.495 4.837 -13.898 1.00 0.62 H new ATOM 0 HB2 SER A 97 -14.905 3.774 -16.386 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.179 4.076 -16.382 1.00 0.68 H new ATOM 0 HG SER A 97 -13.688 1.887 -15.823 1.00 0.73 H new ATOM 1512 N GLN A 98 -12.904 7.000 -14.933 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.473 8.367 -15.413 1.00 0.54 C ATOM 1514 C GLN A 98 -13.404 9.503 -14.872 1.00 0.56 C ATOM 1515 O GLN A 98 -13.936 10.322 -15.630 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.369 8.422 -16.966 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.430 9.512 -17.526 1.00 1.06 C ATOM 1518 CD GLN A 98 -9.958 9.154 -17.388 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.378 8.522 -18.270 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.347 9.562 -16.281 1.00 1.60 N ATOM 0 H GLN A 98 -12.278 6.622 -14.222 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.478 8.542 -15.004 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -12.027 7.451 -17.325 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.367 8.580 -17.375 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.661 9.678 -18.578 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.621 10.451 -17.006 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.866 10.084 -15.575 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -8.359 9.353 -16.137 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.566 9.513 -13.540 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.428 10.464 -12.808 1.00 0.58 C ATOM 1531 C GLN A 99 -13.891 10.671 -11.381 1.00 0.57 C ATOM 1532 O GLN A 99 -13.863 11.798 -10.880 1.00 0.62 O ATOM 1533 CB GLN A 99 -15.889 9.959 -12.740 1.00 0.61 C ATOM 1534 CG GLN A 99 -16.720 10.202 -14.010 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.110 9.604 -13.918 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -19.052 10.259 -13.472 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.246 8.351 -14.339 1.00 2.02 N ATOM 0 H GLN A 99 -13.094 8.849 -12.926 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.415 11.411 -13.348 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -15.878 8.889 -12.530 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.386 10.444 -11.900 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.800 11.274 -14.188 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -16.200 9.775 -14.868 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -17.438 7.844 -14.702 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -19.158 7.896 -14.300 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.460 9.555 -10.731 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.870 9.586 -9.383 1.00 0.55 C ATOM 1548 C LYS A 100 -11.355 9.340 -9.499 1.00 0.48 C ATOM 1549 O LYS A 100 -10.860 8.224 -9.305 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.524 8.529 -8.465 1.00 0.64 C ATOM 1551 CG LYS A 100 -14.998 8.815 -8.072 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.141 9.877 -6.954 1.00 1.52 C ATOM 1553 CE LYS A 100 -16.609 10.081 -6.534 1.00 2.14 C ATOM 1554 NZ LYS A 100 -17.193 8.845 -5.945 1.00 2.76 N ATOM 0 H LYS A 100 -13.516 8.619 -11.132 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.051 10.563 -8.934 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.479 7.561 -8.964 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.932 8.446 -7.554 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.543 9.151 -8.954 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.465 7.887 -7.743 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -14.555 9.571 -6.087 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -14.728 10.825 -7.300 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -16.670 10.893 -5.809 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.196 10.383 -7.401 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -18.211 8.809 -6.153 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -16.726 8.011 -6.355 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -17.050 8.850 -4.915 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.634 10.429 -9.813 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.163 10.403 -10.031 1.00 0.40 C ATOM 1570 C VAL A 101 -8.410 11.091 -8.863 1.00 0.41 C ATOM 1571 O VAL A 101 -8.675 12.250 -8.519 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.685 10.993 -11.447 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.579 9.883 -12.509 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.553 12.146 -12.035 1.00 0.68 C ATOM 0 H VAL A 101 -11.046 11.355 -9.925 1.00 0.45 H new ATOM 0 HA VAL A 101 -8.900 9.345 -10.055 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.711 11.425 -11.217 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.253 10.315 -13.455 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -7.856 9.136 -12.183 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.553 9.412 -12.641 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.136 12.464 -12.991 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.574 11.794 -12.183 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.557 12.988 -11.343 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.457 10.345 -8.286 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.695 10.792 -7.100 1.00 0.40 C ATOM 1586 C PHE A 102 -5.184 11.038 -7.335 1.00 0.38 C ATOM 1587 O PHE A 102 -4.662 10.827 -8.425 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.873 9.714 -6.023 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.337 9.488 -5.614 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.077 10.490 -4.975 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.954 8.255 -5.829 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.384 10.263 -4.570 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.262 8.031 -5.428 1.00 0.70 C ATOM 1594 CZ PHE A 102 -11.030 9.120 -4.944 1.00 0.69 C ATOM 0 H PHE A 102 -7.190 9.420 -8.622 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.091 11.765 -6.810 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.458 8.775 -6.389 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.297 9.995 -5.141 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.624 11.454 -4.795 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.404 7.463 -6.315 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.892 10.993 -3.957 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.690 7.041 -5.484 1.00 0.70 H new ATOM 0 HZ PHE A 102 -12.105 9.047 -4.873 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.491 11.508 -6.271 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.041 11.778 -6.335 1.00 0.34 C ATOM 1606 C ASP A 103 -2.269 11.020 -5.213 1.00 0.32 C ATOM 1607 O ASP A 103 -2.701 10.946 -4.061 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.805 13.323 -6.363 1.00 0.37 C ATOM 1609 CG ASP A 103 -1.362 13.785 -6.551 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -0.567 12.998 -7.098 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -1.039 14.923 -6.147 1.00 1.33 O ATOM 0 H ASP A 103 -4.913 11.706 -5.364 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.624 11.382 -7.261 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.407 13.746 -7.167 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -3.180 13.743 -5.430 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.099 10.482 -5.614 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.215 9.676 -4.743 1.00 0.28 C ATOM 1618 C VAL A 104 1.279 10.167 -4.883 1.00 0.26 C ATOM 1619 O VAL A 104 1.837 10.191 -6.007 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.482 8.111 -5.089 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.725 7.143 -4.997 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.579 7.528 -4.181 1.00 0.48 C ATOM 0 H VAL A 104 -0.737 10.595 -6.561 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.435 9.804 -3.683 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.763 8.160 -6.141 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.403 6.134 -5.254 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.502 7.463 -5.691 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.121 7.150 -3.981 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.740 6.479 -4.432 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.270 7.609 -3.139 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.506 8.082 -4.328 1.00 0.48 H new ATOM 1632 N ARG A 105 1.909 10.478 -3.712 1.00 0.26 N ATOM 1633 CA ARG A 105 3.312 10.966 -3.663 1.00 0.26 C ATOM 1634 C ARG A 105 4.226 10.246 -2.641 1.00 0.23 C ATOM 1635 O ARG A 105 3.816 9.914 -1.516 1.00 0.26 O ATOM 1636 CB ARG A 105 3.373 12.493 -3.387 1.00 0.33 C ATOM 1637 CG ARG A 105 2.314 13.040 -2.400 1.00 0.53 C ATOM 1638 CD ARG A 105 2.483 14.546 -2.142 1.00 0.51 C ATOM 1639 NE ARG A 105 1.487 15.056 -1.204 1.00 0.92 N ATOM 1640 CZ ARG A 105 1.468 16.310 -0.758 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.383 17.178 -1.169 1.00 1.15 N ATOM 1642 NH2 ARG A 105 0.535 16.696 0.099 1.00 1.69 N ATOM 0 H ARG A 105 1.466 10.398 -2.797 1.00 0.26 H new ATOM 0 HA ARG A 105 3.700 10.732 -4.655 1.00 0.26 H new ATOM 0 HB2 ARG A 105 4.363 12.734 -2.999 1.00 0.33 H new ATOM 0 HB3 ARG A 105 3.265 13.019 -4.335 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.317 12.851 -2.798 1.00 0.53 H new ATOM 0 HG3 ARG A 105 2.387 12.501 -1.456 1.00 0.53 H new ATOM 0 HD2 ARG A 105 3.482 14.737 -1.749 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.403 15.087 -3.085 1.00 0.51 H new ATOM 0 HE ARG A 105 0.766 14.416 -0.872 1.00 0.92 H new ATOM 0 HH11 ARG A 105 3.104 16.885 -1.829 1.00 1.15 H new ATOM 0 HH12 ARG A 105 2.366 18.138 -0.825 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -0.170 16.032 0.418 1.00 1.69 H new ATOM 0 HH22 ARG A 105 0.522 17.657 0.440 1.00 1.69 H new ATOM 1656 N VAL A 106 5.504 10.059 -3.079 1.00 0.23 N ATOM 1657 CA VAL A 106 6.593 9.411 -2.278 1.00 0.23 C ATOM 1658 C VAL A 106 7.741 10.420 -1.911 1.00 0.22 C ATOM 1659 O VAL A 106 8.545 10.813 -2.762 1.00 0.23 O ATOM 1660 CB VAL A 106 7.178 8.055 -2.929 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.175 6.893 -2.805 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.612 8.158 -4.421 1.00 0.60 C ATOM 0 H VAL A 106 5.813 10.355 -4.005 1.00 0.23 H new ATOM 0 HA VAL A 106 6.110 9.103 -1.351 1.00 0.23 H new ATOM 0 HB VAL A 106 8.080 7.869 -2.347 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.601 5.995 -3.253 1.00 0.57 H new ATOM 0 HG12 VAL A 106 5.962 6.707 -1.752 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.251 7.153 -3.321 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.989 7.192 -4.758 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.755 8.445 -5.030 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.396 8.909 -4.521 1.00 0.60 H new ATOM 1672 N ASN A 107 7.777 10.832 -0.602 1.00 0.23 N ATOM 1673 CA ASN A 107 8.742 11.845 0.003 1.00 0.23 C ATOM 1674 C ASN A 107 8.563 13.288 -0.567 1.00 0.24 C ATOM 1675 O ASN A 107 9.501 14.096 -0.556 1.00 0.25 O ATOM 1676 CB ASN A 107 10.222 11.424 -0.164 1.00 0.23 C ATOM 1677 CG ASN A 107 11.006 11.374 1.132 1.00 0.27 C ATOM 1678 OD1 ASN A 107 11.857 10.508 1.319 1.00 1.05 O ATOM 1679 ND2 ASN A 107 10.749 12.329 2.016 1.00 1.12 N ATOM 0 H ASN A 107 7.123 10.465 0.089 1.00 0.23 H new ATOM 0 HA ASN A 107 8.488 11.860 1.063 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.257 10.441 -0.634 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.711 12.121 -0.844 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.268 12.365 2.894 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.033 13.028 1.818 1.00 1.12 H new ATOM 1686 N GLY A 108 7.343 13.587 -1.044 1.00 0.25 N ATOM 1687 CA GLY A 108 7.057 14.869 -1.662 1.00 0.29 C ATOM 1688 C GLY A 108 6.995 14.826 -3.215 1.00 0.29 C ATOM 1689 O GLY A 108 6.568 15.794 -3.851 1.00 0.32 O ATOM 0 H GLY A 108 6.547 12.951 -1.008 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.105 15.239 -1.281 1.00 0.29 H new ATOM 0 HA3 GLY A 108 7.821 15.585 -1.359 1.00 0.29 H new ATOM 1693 N HIS A 109 7.433 13.679 -3.806 1.00 0.27 N ATOM 1694 CA HIS A 109 7.495 13.438 -5.253 1.00 0.28 C ATOM 1695 C HIS A 109 6.249 12.707 -5.810 1.00 0.30 C ATOM 1696 O HIS A 109 5.889 11.657 -5.300 1.00 0.57 O ATOM 1697 CB HIS A 109 8.708 12.529 -5.462 1.00 0.29 C ATOM 1698 CG HIS A 109 10.043 13.177 -5.210 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.691 13.959 -6.140 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.849 13.154 -4.111 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.833 14.390 -5.634 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.951 13.917 -4.405 1.00 0.36 N ATOM 0 H HIS A 109 7.759 12.881 -3.261 1.00 0.27 H new ATOM 0 HA HIS A 109 7.553 14.395 -5.772 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.612 11.664 -4.806 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.690 12.156 -6.486 1.00 0.29 H new ATOM 0 HD2 HIS A 109 10.657 12.634 -3.184 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.549 15.022 -6.139 1.00 0.46 H new ATOM 0 HE2 HIS A 109 12.735 14.091 -3.776 1.00 0.36 H new ATOM 1711 N THR A 110 5.614 13.214 -6.903 1.00 0.31 N ATOM 1712 CA THR A 110 4.411 12.512 -7.464 1.00 0.32 C ATOM 1713 C THR A 110 4.752 11.480 -8.541 1.00 0.35 C ATOM 1714 O THR A 110 5.530 11.723 -9.471 1.00 0.47 O ATOM 1715 CB THR A 110 3.239 13.411 -7.999 1.00 0.43 C ATOM 1716 OG1 THR A 110 3.722 14.528 -8.773 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.353 13.916 -6.865 1.00 0.47 C ATOM 0 H THR A 110 5.892 14.062 -7.397 1.00 0.31 H new ATOM 0 HA THR A 110 4.038 12.022 -6.564 1.00 0.32 H new ATOM 0 HB THR A 110 2.642 12.774 -8.652 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.005 14.858 -9.354 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.554 14.534 -7.275 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.920 13.067 -6.336 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.951 14.508 -6.172 1.00 0.47 H new ATOM 1725 N VAL A 111 4.117 10.330 -8.370 1.00 0.29 N ATOM 1726 CA VAL A 111 4.295 9.166 -9.255 1.00 0.35 C ATOM 1727 C VAL A 111 2.968 8.734 -9.926 1.00 0.35 C ATOM 1728 O VAL A 111 2.941 8.512 -11.141 1.00 0.39 O ATOM 1729 CB VAL A 111 4.996 7.906 -8.569 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.511 7.911 -8.839 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.751 7.735 -7.034 1.00 1.00 C ATOM 0 H VAL A 111 3.456 10.167 -7.610 1.00 0.29 H new ATOM 0 HA VAL A 111 4.985 9.522 -10.020 1.00 0.35 H new ATOM 0 HB VAL A 111 4.510 7.052 -9.040 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.968 7.044 -8.362 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.689 7.871 -9.914 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.950 8.822 -8.432 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.275 6.848 -6.679 1.00 1.00 H new ATOM 0 HG22 VAL A 111 5.124 8.613 -6.506 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.683 7.625 -6.846 1.00 1.00 H new ATOM 1741 N VAL A 112 1.872 8.618 -9.135 1.00 0.33 N ATOM 1742 CA VAL A 112 0.557 8.225 -9.711 1.00 0.35 C ATOM 1743 C VAL A 112 -0.461 9.351 -9.409 1.00 0.34 C ATOM 1744 O VAL A 112 -1.159 9.325 -8.393 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.031 6.783 -9.253 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.770 6.077 -10.421 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.017 5.773 -8.711 1.00 0.40 C ATOM 0 H VAL A 112 1.867 8.784 -8.129 1.00 0.33 H new ATOM 0 HA VAL A 112 0.726 8.097 -10.780 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.701 7.042 -8.433 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.152 5.114 -10.081 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.600 6.699 -10.755 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -0.078 5.921 -11.248 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.518 4.844 -8.434 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.760 5.570 -9.483 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.510 6.195 -7.835 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.532 10.333 -10.341 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.454 11.469 -10.229 1.00 0.38 C ATOM 1759 C LYS A 113 -2.558 11.388 -11.292 1.00 0.43 C ATOM 1760 O LYS A 113 -2.601 12.124 -12.284 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.685 12.782 -10.334 1.00 0.42 C ATOM 1762 CG LYS A 113 -1.527 14.061 -10.037 1.00 1.12 C ATOM 1763 CD LYS A 113 -1.073 15.285 -10.857 1.00 1.27 C ATOM 1764 CE LYS A 113 0.392 15.652 -10.587 1.00 1.50 C ATOM 1765 NZ LYS A 113 0.590 16.139 -9.194 1.00 2.30 N ATOM 0 H LYS A 113 0.046 10.352 -11.181 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.936 11.429 -9.252 1.00 0.38 H new ATOM 0 HB2 LYS A 113 0.157 12.750 -9.642 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.269 12.863 -11.338 1.00 0.42 H new ATOM 0 HG2 LYS A 113 -2.576 13.856 -10.251 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -1.458 14.296 -8.975 1.00 1.12 H new ATOM 0 HD2 LYS A 113 -1.204 15.078 -11.919 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -1.709 16.137 -10.618 1.00 1.27 H new ATOM 0 HE2 LYS A 113 1.023 14.781 -10.761 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.710 16.422 -11.290 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 1.608 16.232 -9.000 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 0.130 17.065 -9.081 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 0.171 15.461 -8.526 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.440 10.466 -10.969 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.671 10.056 -11.702 1.00 0.42 C ATOM 1781 C ASP A 114 -5.026 8.600 -11.291 1.00 0.38 C ATOM 1782 O ASP A 114 -5.016 7.685 -12.123 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.664 10.253 -13.297 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.543 9.557 -14.122 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -3.730 8.386 -14.512 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -2.496 10.196 -14.360 1.00 2.09 O ATOM 0 H ASP A 114 -3.325 9.922 -10.114 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.450 10.754 -11.396 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -5.623 9.904 -13.679 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -4.610 11.323 -13.500 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.360 8.385 -9.990 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.677 7.035 -9.514 1.00 0.36 C ATOM 1793 C LEU A 115 -7.174 6.712 -9.506 1.00 0.38 C ATOM 1794 O LEU A 115 -7.936 7.142 -8.634 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.046 6.693 -8.138 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.057 5.473 -8.117 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.295 5.401 -6.828 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.729 4.118 -8.359 1.00 1.06 C ATOM 0 H LEU A 115 -5.413 9.115 -9.279 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.211 6.391 -10.260 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.514 7.573 -7.776 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.851 6.494 -7.431 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.380 5.662 -8.950 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.621 4.544 -6.851 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.716 6.315 -6.696 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -3.993 5.291 -5.998 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.978 3.329 -8.329 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.475 3.939 -7.585 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.213 4.121 -9.336 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.551 5.971 -10.556 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.898 5.447 -10.756 1.00 0.43 C ATOM 1812 C ASP A 116 -8.784 3.903 -10.726 1.00 0.42 C ATOM 1813 O ASP A 116 -8.381 3.276 -11.716 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.483 5.944 -12.096 1.00 0.46 C ATOM 1815 CG ASP A 116 -10.981 6.242 -12.039 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -11.767 5.292 -11.843 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -11.361 7.422 -12.189 1.00 1.83 O ATOM 0 H ASP A 116 -6.908 5.716 -11.305 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.576 5.794 -9.976 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -8.953 6.846 -12.401 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.300 5.192 -12.864 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.160 3.310 -9.568 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.064 1.837 -9.294 1.00 0.42 C ATOM 1824 C ILE A 117 -10.031 0.946 -10.187 1.00 0.44 C ATOM 1825 O ILE A 117 -9.674 -0.190 -10.531 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.251 1.548 -7.730 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.648 2.712 -6.868 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.585 0.208 -7.275 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.647 3.607 -6.130 1.00 0.68 C ATOM 0 H ILE A 117 -9.544 3.837 -8.783 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.060 1.532 -9.589 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.327 1.472 -7.572 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.973 2.276 -6.132 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.044 3.342 -7.521 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.745 0.067 -6.206 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -9.030 -0.623 -7.822 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.515 0.246 -7.480 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.107 4.371 -5.571 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.309 4.085 -6.852 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.237 3.003 -5.441 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.204 1.503 -10.610 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.182 0.791 -11.489 1.00 0.51 C ATOM 1843 C PHE A 118 -11.723 0.755 -12.986 1.00 0.53 C ATOM 1844 O PHE A 118 -11.926 -0.250 -13.670 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.572 1.450 -11.370 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.741 0.545 -11.771 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.213 -0.434 -10.895 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.359 0.665 -13.020 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.266 -1.261 -11.251 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.413 -0.162 -13.375 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.866 -1.126 -12.490 1.00 0.77 C ATOM 0 H PHE A 118 -11.496 2.447 -10.355 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.236 -0.243 -11.147 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.718 1.776 -10.340 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.591 2.344 -11.993 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.751 -0.548 -9.926 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.010 1.412 -13.717 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.619 -2.012 -10.560 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.881 -0.055 -14.342 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.687 -1.771 -12.767 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.091 1.871 -13.467 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.515 1.994 -14.844 1.00 0.54 C ATOM 1863 C ASP A 119 -9.174 1.188 -15.030 1.00 0.53 C ATOM 1864 O ASP A 119 -8.846 0.793 -16.152 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.275 3.486 -15.171 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.601 3.881 -16.617 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -10.571 2.998 -17.500 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.874 5.077 -16.857 1.00 0.91 O ATOM 0 H ASP A 119 -10.967 2.714 -12.906 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.241 1.561 -15.532 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.878 4.094 -14.497 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.231 3.726 -14.969 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.415 0.965 -13.912 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.132 0.207 -13.922 1.00 0.48 C ATOM 1875 C ARG A 120 -7.328 -1.334 -13.967 1.00 0.50 C ATOM 1876 O ARG A 120 -6.801 -1.983 -14.875 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.278 0.579 -12.696 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.697 2.019 -12.703 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.432 2.168 -13.571 1.00 0.52 C ATOM 1880 NE ARG A 120 -3.928 3.539 -13.552 1.00 1.23 N ATOM 1881 CZ ARG A 120 -2.865 3.945 -14.240 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.189 3.088 -14.993 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.474 5.211 -14.171 1.00 2.43 N ATOM 0 H ARG A 120 -8.678 1.305 -12.987 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.619 0.493 -14.840 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.886 0.455 -11.800 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.452 -0.128 -12.622 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.460 2.708 -13.065 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.462 2.313 -11.680 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.659 1.490 -13.209 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.657 1.876 -14.597 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.420 4.224 -12.978 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.484 2.113 -15.046 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.374 3.404 -15.519 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -2.989 5.873 -13.590 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -1.659 5.522 -14.699 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.080 -1.923 -12.992 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.343 -3.407 -13.005 1.00 0.51 C ATOM 1899 C VAL A 121 -9.688 -3.812 -13.712 1.00 0.56 C ATOM 1900 O VAL A 121 -9.717 -4.817 -14.428 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.220 -4.164 -11.595 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.764 -4.585 -11.321 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.751 -3.381 -10.357 1.00 0.93 C ATOM 0 H VAL A 121 -8.504 -1.421 -12.212 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.508 -3.760 -13.610 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.872 -5.030 -11.711 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.708 -5.096 -10.360 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.425 -5.257 -12.109 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.127 -3.700 -11.300 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.618 -3.986 -9.460 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.197 -2.448 -10.251 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.810 -3.160 -10.493 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.782 -3.034 -13.507 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.076 -3.349 -14.142 1.00 0.63 C ATOM 1915 C GLY A 122 -13.172 -3.771 -13.157 1.00 0.66 C ATOM 1916 O GLY A 122 -14.158 -3.057 -12.969 1.00 0.85 O ATOM 0 H GLY A 122 -10.790 -2.201 -12.918 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.418 -2.475 -14.697 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.927 -4.149 -14.867 1.00 0.63 H new ATOM 1920 N HIS A 123 -12.975 -4.948 -12.536 1.00 0.72 N ATOM 1921 CA HIS A 123 -13.916 -5.532 -11.553 1.00 0.87 C ATOM 1922 C HIS A 123 -13.379 -5.436 -10.100 1.00 0.73 C ATOM 1923 O HIS A 123 -12.241 -5.004 -9.869 1.00 1.34 O ATOM 1924 CB HIS A 123 -14.198 -7.003 -11.913 1.00 1.38 C ATOM 1925 CG HIS A 123 -15.011 -7.185 -13.165 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -14.457 -7.546 -14.376 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -16.342 -7.052 -13.388 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -15.409 -7.627 -15.287 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -16.561 -7.333 -14.714 1.00 3.01 N ATOM 0 H HIS A 123 -12.152 -5.528 -12.701 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.840 -4.955 -11.598 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -13.249 -7.525 -12.030 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -14.721 -7.475 -11.081 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -17.090 -6.777 -12.659 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -15.269 -7.889 -16.325 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -17.468 -7.317 -15.181 1.00 3.01 H new ATOM 1938 N SER A 124 -14.228 -5.830 -9.108 1.00 0.86 N ATOM 1939 CA SER A 124 -13.877 -5.797 -7.652 1.00 0.70 C ATOM 1940 C SER A 124 -12.923 -6.952 -7.222 1.00 0.99 C ATOM 1941 O SER A 124 -13.353 -8.004 -6.736 1.00 2.08 O ATOM 1942 CB SER A 124 -15.160 -5.834 -6.807 1.00 0.73 C ATOM 1943 OG SER A 124 -15.802 -4.569 -6.784 1.00 1.20 O ATOM 0 H SER A 124 -15.169 -6.178 -9.290 1.00 0.86 H new ATOM 0 HA SER A 124 -13.337 -4.866 -7.479 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.842 -6.582 -7.211 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.918 -6.139 -5.789 1.00 0.73 H new ATOM 0 HG SER A 124 -16.615 -4.625 -6.240 1.00 1.20 H new ATOM 1949 N THR A 125 -11.615 -6.703 -7.435 1.00 0.56 N ATOM 1950 CA THR A 125 -10.514 -7.660 -7.140 1.00 0.51 C ATOM 1951 C THR A 125 -9.342 -6.893 -6.430 1.00 0.48 C ATOM 1952 O THR A 125 -9.594 -6.078 -5.531 1.00 0.51 O ATOM 1953 CB THR A 125 -10.004 -8.410 -8.465 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.732 -7.472 -9.527 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.983 -9.485 -9.018 1.00 0.62 C ATOM 0 H THR A 125 -11.282 -5.820 -7.822 1.00 0.56 H new ATOM 0 HA THR A 125 -10.892 -8.435 -6.473 1.00 0.51 H new ATOM 0 HB THR A 125 -9.095 -8.921 -8.146 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.422 -7.957 -10.320 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.557 -9.939 -9.913 1.00 0.62 H new ATOM 0 HG22 THR A 125 -11.144 -10.254 -8.262 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.935 -9.016 -9.267 1.00 0.62 H new ATOM 1963 N ALA A 126 -8.058 -7.158 -6.815 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.881 -6.484 -6.210 1.00 0.43 C ATOM 1965 C ALA A 126 -6.084 -5.601 -7.225 1.00 0.38 C ATOM 1966 O ALA A 126 -5.786 -6.028 -8.354 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.943 -7.540 -5.565 1.00 0.46 C ATOM 0 H ALA A 126 -7.818 -7.833 -7.541 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.263 -5.806 -5.447 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -5.081 -7.040 -5.123 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.484 -8.083 -4.790 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.604 -8.240 -6.329 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.755 -4.347 -6.810 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.936 -3.407 -7.624 1.00 0.32 C ATOM 1975 C HIS A 127 -3.530 -3.267 -6.978 1.00 0.31 C ATOM 1976 O HIS A 127 -3.416 -3.155 -5.761 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.617 -2.017 -7.734 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.933 -1.040 -8.677 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.277 -1.424 -9.834 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.762 0.306 -8.591 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.733 -0.362 -10.402 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -4.015 0.695 -9.673 1.00 0.38 N ATOM 0 H HIS A 127 -6.047 -3.963 -5.911 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.841 -3.808 -8.633 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.646 -2.158 -8.065 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.660 -1.570 -6.741 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -5.144 0.950 -7.813 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.153 -0.362 -11.313 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.725 1.651 -9.879 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.468 -3.253 -7.795 1.00 0.32 N ATOM 1992 CA ASP A 128 -1.099 -3.173 -7.256 1.00 0.33 C ATOM 1993 C ASP A 128 -0.154 -2.283 -8.092 1.00 0.30 C ATOM 1994 O ASP A 128 -0.055 -2.415 -9.318 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.512 -4.600 -7.149 1.00 0.45 C ATOM 1996 CG ASP A 128 0.303 -4.858 -5.876 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.916 -3.903 -5.359 1.00 2.50 O ATOM 1998 OD2 ASP A 128 0.340 -6.020 -5.420 1.00 2.10 O ATOM 0 H ASP A 128 -2.525 -3.295 -8.813 1.00 0.32 H new ATOM 0 HA ASP A 128 -1.172 -2.704 -6.275 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -1.329 -5.320 -7.194 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.123 -4.784 -8.016 1.00 0.45 H new ATOM 2003 N GLU A 129 0.544 -1.382 -7.375 1.00 0.25 N ATOM 2004 CA GLU A 129 1.552 -0.494 -7.971 1.00 0.30 C ATOM 2005 C GLU A 129 2.941 -0.723 -7.324 1.00 0.27 C ATOM 2006 O GLU A 129 3.086 -0.753 -6.081 1.00 0.25 O ATOM 2007 CB GLU A 129 1.132 0.987 -7.849 1.00 0.43 C ATOM 2008 CG GLU A 129 0.000 1.415 -8.805 1.00 0.91 C ATOM 2009 CD GLU A 129 0.473 1.596 -10.240 1.00 0.76 C ATOM 2010 OE1 GLU A 129 0.938 2.704 -10.578 1.00 1.56 O ATOM 2011 OE2 GLU A 129 0.378 0.628 -11.024 1.00 1.12 O ATOM 0 H GLU A 129 0.424 -1.252 -6.371 1.00 0.25 H new ATOM 0 HA GLU A 129 1.624 -0.737 -9.031 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.815 1.178 -6.824 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.004 1.615 -8.035 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.792 0.666 -8.781 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.434 2.350 -8.450 1.00 0.91 H new ATOM 2018 N ILE A 130 3.949 -0.891 -8.208 1.00 0.28 N ATOM 2019 CA ILE A 130 5.363 -1.145 -7.826 1.00 0.28 C ATOM 2020 C ILE A 130 6.256 0.077 -8.186 1.00 0.29 C ATOM 2021 O ILE A 130 6.312 0.508 -9.345 1.00 0.39 O ATOM 2022 CB ILE A 130 5.961 -2.451 -8.519 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.852 -3.387 -9.099 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.862 -3.271 -7.545 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.593 -3.239 -10.598 1.00 0.45 C ATOM 0 H ILE A 130 3.806 -0.854 -9.217 1.00 0.28 H new ATOM 0 HA ILE A 130 5.366 -1.306 -6.748 1.00 0.28 H new ATOM 0 HB ILE A 130 6.570 -2.084 -9.345 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.129 -4.421 -8.895 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.921 -3.195 -8.565 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.247 -4.151 -8.060 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.695 -2.652 -7.212 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.274 -3.584 -6.682 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.807 -3.931 -10.902 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.280 -2.217 -10.814 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.506 -3.463 -11.149 1.00 0.45 H new ATOM 2037 N ILE A 131 6.961 0.603 -7.167 1.00 0.21 N ATOM 2038 CA ILE A 131 7.841 1.778 -7.328 1.00 0.26 C ATOM 2039 C ILE A 131 9.253 1.513 -6.685 1.00 0.18 C ATOM 2040 O ILE A 131 9.405 1.701 -5.470 1.00 0.18 O ATOM 2041 CB ILE A 131 7.196 3.089 -6.680 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.637 3.101 -6.778 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.740 4.396 -7.344 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.895 2.936 -5.455 1.00 0.84 C ATOM 0 H ILE A 131 6.938 0.231 -6.218 1.00 0.21 H new ATOM 0 HA ILE A 131 7.960 1.945 -8.399 1.00 0.26 H new ATOM 0 HB ILE A 131 7.486 3.062 -5.630 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.326 4.041 -7.234 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.326 2.302 -7.451 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.276 5.263 -6.874 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.821 4.448 -7.214 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.503 4.390 -8.408 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.820 2.958 -5.635 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.167 1.983 -5.002 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.167 3.749 -4.782 1.00 0.84 H new ATOM 2056 N PRO A 132 10.305 1.037 -7.469 1.00 0.13 N ATOM 2057 CA PRO A 132 11.706 0.857 -6.941 1.00 0.09 C ATOM 2058 C PRO A 132 12.473 2.191 -6.758 1.00 0.08 C ATOM 2059 O PRO A 132 12.383 3.092 -7.597 1.00 0.16 O ATOM 2060 CB PRO A 132 12.406 0.001 -8.020 1.00 0.13 C ATOM 2061 CG PRO A 132 11.279 -0.586 -8.818 1.00 0.16 C ATOM 2062 CD PRO A 132 10.220 0.501 -8.851 1.00 0.16 C ATOM 0 HA PRO A 132 11.686 0.403 -5.950 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.062 0.607 -8.645 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.023 -0.777 -7.571 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.603 -0.853 -9.824 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.898 -1.496 -8.354 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.436 1.262 -9.601 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.231 0.103 -9.077 1.00 0.16 H new ATOM 2070 N ILE A 133 13.221 2.283 -5.648 1.00 0.07 N ATOM 2071 CA ILE A 133 13.975 3.497 -5.271 1.00 0.08 C ATOM 2072 C ILE A 133 15.501 3.191 -5.119 1.00 0.08 C ATOM 2073 O ILE A 133 15.908 2.076 -4.770 1.00 0.10 O ATOM 2074 CB ILE A 133 13.385 4.107 -3.913 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.823 3.941 -3.844 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.755 5.618 -3.724 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.228 3.602 -2.468 1.00 0.38 C ATOM 0 H ILE A 133 13.323 1.517 -4.982 1.00 0.07 H new ATOM 0 HA ILE A 133 13.863 4.232 -6.068 1.00 0.08 H new ATOM 0 HB ILE A 133 13.846 3.541 -3.103 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.366 4.867 -4.194 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.532 3.157 -4.544 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.331 5.982 -2.788 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.839 5.727 -3.697 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.353 6.198 -4.555 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.145 3.514 -2.552 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.643 2.658 -2.115 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.474 4.394 -1.760 1.00 0.38 H new ATOM 2089 N SER A 134 16.324 4.223 -5.388 1.00 0.10 N ATOM 2090 CA SER A 134 17.779 4.121 -5.255 1.00 0.12 C ATOM 2091 C SER A 134 18.358 5.324 -4.475 1.00 0.13 C ATOM 2092 O SER A 134 18.311 6.472 -4.937 1.00 0.15 O ATOM 2093 CB SER A 134 18.468 3.957 -6.643 1.00 0.15 C ATOM 2094 OG SER A 134 18.039 4.926 -7.603 1.00 1.31 O ATOM 0 H SER A 134 15.998 5.138 -5.700 1.00 0.10 H new ATOM 0 HA SER A 134 17.993 3.222 -4.677 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.548 4.034 -6.517 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.262 2.958 -7.028 1.00 0.15 H new ATOM 0 HG SER A 134 18.505 4.775 -8.452 1.00 1.31 H new ATOM 2100 N ILE A 135 18.879 5.028 -3.265 1.00 0.13 N ATOM 2101 CA ILE A 135 19.511 6.035 -2.384 1.00 0.15 C ATOM 2102 C ILE A 135 21.040 5.727 -2.296 1.00 0.18 C ATOM 2103 O ILE A 135 21.447 4.620 -1.920 1.00 0.18 O ATOM 2104 CB ILE A 135 18.808 6.091 -0.937 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.271 6.252 -1.067 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.361 7.230 -0.001 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.439 5.300 -0.197 1.00 0.15 C ATOM 0 H ILE A 135 18.874 4.087 -2.872 1.00 0.13 H new ATOM 0 HA ILE A 135 19.375 7.030 -2.809 1.00 0.15 H new ATOM 0 HB ILE A 135 19.053 5.137 -0.470 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.006 7.278 -0.811 1.00 0.13 H new ATOM 0 HG13 ILE A 135 16.993 6.102 -2.110 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.837 7.202 0.955 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.428 7.079 0.165 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.201 8.199 -0.474 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.378 5.492 -0.360 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.667 4.269 -0.466 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.680 5.463 0.853 1.00 0.15 H new ATOM 2119 N LYS A 136 21.849 6.739 -2.665 1.00 0.20 N ATOM 2120 CA LYS A 136 23.322 6.644 -2.653 1.00 0.23 C ATOM 2121 C LYS A 136 23.949 7.941 -2.128 1.00 0.28 C ATOM 2122 O LYS A 136 23.603 9.044 -2.580 1.00 0.29 O ATOM 2123 CB LYS A 136 23.863 6.352 -4.071 1.00 0.22 C ATOM 2124 CG LYS A 136 23.517 4.940 -4.620 1.00 0.25 C ATOM 2125 CD LYS A 136 24.695 3.926 -4.549 1.00 0.94 C ATOM 2126 CE LYS A 136 25.144 3.599 -3.113 1.00 1.23 C ATOM 2127 NZ LYS A 136 26.121 2.475 -3.091 1.00 2.05 N ATOM 0 H LYS A 136 21.500 7.644 -2.979 1.00 0.20 H new ATOM 0 HA LYS A 136 23.594 5.823 -1.989 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.467 7.101 -4.757 1.00 0.22 H new ATOM 0 HB3 LYS A 136 24.947 6.468 -4.063 1.00 0.22 H new ATOM 0 HG2 LYS A 136 22.673 4.540 -4.058 1.00 0.25 H new ATOM 0 HG3 LYS A 136 23.194 5.034 -5.657 1.00 0.25 H new ATOM 0 HD2 LYS A 136 24.399 3.003 -5.047 1.00 0.94 H new ATOM 0 HD3 LYS A 136 25.543 4.329 -5.103 1.00 0.94 H new ATOM 0 HE2 LYS A 136 25.594 4.483 -2.661 1.00 1.23 H new ATOM 0 HE3 LYS A 136 24.275 3.339 -2.509 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 26.403 2.280 -2.109 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 25.682 1.626 -3.501 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 26.960 2.734 -3.648 1.00 2.05 H new ATOM 2141 N LYS A 137 24.854 7.795 -1.112 1.00 0.33 N ATOM 2142 CA LYS A 137 25.599 8.929 -0.434 1.00 0.40 C ATOM 2143 C LYS A 137 24.695 9.914 0.390 1.00 0.39 C ATOM 2144 O LYS A 137 25.132 11.010 0.756 1.00 0.42 O ATOM 2145 CB LYS A 137 26.432 9.743 -1.466 1.00 0.44 C ATOM 2146 CG LYS A 137 27.490 8.920 -2.263 1.00 0.99 C ATOM 2147 CD LYS A 137 28.951 9.112 -1.764 1.00 1.59 C ATOM 2148 CE LYS A 137 29.190 8.594 -0.335 1.00 2.70 C ATOM 2149 NZ LYS A 137 30.641 8.558 -0.005 1.00 3.55 N ATOM 0 H LYS A 137 25.096 6.881 -0.730 1.00 0.33 H new ATOM 0 HA LYS A 137 26.252 8.434 0.285 1.00 0.40 H new ATOM 0 HB2 LYS A 137 25.747 10.208 -2.175 1.00 0.44 H new ATOM 0 HB3 LYS A 137 26.943 10.550 -0.941 1.00 0.44 H new ATOM 0 HG2 LYS A 137 27.233 7.863 -2.203 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.437 9.201 -3.315 1.00 0.99 H new ATOM 0 HD2 LYS A 137 29.629 8.598 -2.445 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.203 10.172 -1.804 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.669 9.234 0.377 1.00 2.70 H new ATOM 0 HE3 LYS A 137 28.767 7.594 -0.233 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 30.768 8.204 0.965 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 31.133 7.928 -0.670 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 31.038 9.517 -0.079 1.00 3.55 H new ATOM 2163 N GLY A 138 23.440 9.488 0.682 1.00 0.35 N ATOM 2164 CA GLY A 138 22.464 10.313 1.403 1.00 0.36 C ATOM 2165 C GLY A 138 21.451 11.059 0.497 1.00 0.33 C ATOM 2166 O GLY A 138 20.841 12.033 0.947 1.00 0.37 O ATOM 0 H GLY A 138 23.087 8.567 0.422 1.00 0.35 H new ATOM 0 HA2 GLY A 138 21.912 9.677 2.095 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.002 11.046 2.004 1.00 0.36 H new ATOM 2170 N LYS A 139 21.269 10.604 -0.778 1.00 0.29 N ATOM 2171 CA LYS A 139 20.322 11.252 -1.714 1.00 0.29 C ATOM 2172 C LYS A 139 19.323 10.248 -2.319 1.00 0.26 C ATOM 2173 O LYS A 139 19.695 9.133 -2.699 1.00 0.25 O ATOM 2174 CB LYS A 139 21.076 11.963 -2.846 1.00 0.33 C ATOM 2175 CG LYS A 139 22.035 13.084 -2.374 1.00 0.65 C ATOM 2176 CD LYS A 139 22.912 13.671 -3.510 1.00 0.67 C ATOM 2177 CE LYS A 139 22.106 14.497 -4.534 1.00 1.00 C ATOM 2178 NZ LYS A 139 21.257 15.529 -3.877 1.00 1.56 N ATOM 0 H LYS A 139 21.762 9.802 -1.170 1.00 0.29 H new ATOM 0 HA LYS A 139 19.759 11.983 -1.133 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.649 11.223 -3.404 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.349 12.391 -3.537 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.449 13.887 -1.927 1.00 0.65 H new ATOM 0 HG3 LYS A 139 22.684 12.690 -1.592 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.687 14.301 -3.073 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.418 12.856 -4.028 1.00 0.67 H new ATOM 0 HE2 LYS A 139 22.792 14.981 -5.229 1.00 1.00 H new ATOM 0 HE3 LYS A 139 21.475 13.830 -5.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 20.907 16.198 -4.593 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 20.450 15.069 -3.410 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 21.820 16.042 -3.169 1.00 1.56 H new ATOM 2192 N LEU A 140 18.059 10.697 -2.482 1.00 0.25 N ATOM 2193 CA LEU A 140 16.958 9.845 -2.992 1.00 0.24 C ATOM 2194 C LEU A 140 16.641 10.078 -4.479 1.00 0.26 C ATOM 2195 O LEU A 140 16.556 11.214 -4.939 1.00 0.34 O ATOM 2196 CB LEU A 140 15.679 10.128 -2.174 1.00 0.24 C ATOM 2197 CG LEU A 140 14.652 8.968 -2.007 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.266 8.765 -0.547 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.389 9.227 -2.814 1.00 0.25 C ATOM 0 H LEU A 140 17.773 11.652 -2.266 1.00 0.25 H new ATOM 0 HA LEU A 140 17.289 8.812 -2.886 1.00 0.24 H new ATOM 0 HB2 LEU A 140 15.983 10.452 -1.179 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.163 10.968 -2.639 1.00 0.24 H new ATOM 0 HG LEU A 140 15.142 8.067 -2.376 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.549 7.948 -0.471 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.156 8.522 0.034 1.00 0.22 H new ATOM 0 HD13 LEU A 140 13.817 9.679 -0.159 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.693 8.400 -2.676 1.00 0.25 H new ATOM 0 HD22 LEU A 140 12.924 10.153 -2.475 1.00 0.25 H new ATOM 0 HD23 LEU A 140 13.644 9.315 -3.870 1.00 0.25 H new ATOM 2211 N SER A 141 16.434 8.974 -5.209 1.00 0.21 N ATOM 2212 CA SER A 141 16.102 9.041 -6.634 1.00 0.22 C ATOM 2213 C SER A 141 14.922 8.113 -6.993 1.00 0.19 C ATOM 2214 O SER A 141 14.985 6.891 -6.808 1.00 0.16 O ATOM 2215 CB SER A 141 17.350 8.716 -7.474 1.00 0.25 C ATOM 2216 OG SER A 141 17.248 9.210 -8.806 1.00 0.64 O ATOM 0 H SER A 141 16.491 8.027 -4.835 1.00 0.21 H new ATOM 0 HA SER A 141 15.779 10.056 -6.864 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.230 9.146 -6.995 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.497 7.636 -7.499 1.00 0.25 H new ATOM 0 HG SER A 141 16.525 9.870 -8.856 1.00 0.64 H new ATOM 2222 N VAL A 142 13.851 8.735 -7.531 1.00 0.21 N ATOM 2223 CA VAL A 142 12.629 8.025 -7.957 1.00 0.22 C ATOM 2224 C VAL A 142 12.575 7.934 -9.548 1.00 0.25 C ATOM 2225 O VAL A 142 12.162 8.878 -10.229 1.00 0.26 O ATOM 2226 CB VAL A 142 11.296 8.638 -7.222 1.00 0.27 C ATOM 2227 CG1 VAL A 142 10.809 10.043 -7.697 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.115 7.647 -7.269 1.00 0.41 C ATOM 0 H VAL A 142 13.811 9.743 -7.682 1.00 0.21 H new ATOM 0 HA VAL A 142 12.653 6.989 -7.618 1.00 0.22 H new ATOM 0 HB VAL A 142 11.643 8.790 -6.200 1.00 0.27 H new ATOM 0 HG11 VAL A 142 9.922 10.331 -7.132 1.00 0.46 H new ATOM 0 HG12 VAL A 142 11.598 10.777 -7.532 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.566 10.004 -8.759 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.250 8.088 -6.773 1.00 0.41 H new ATOM 0 HG22 VAL A 142 9.865 7.428 -8.307 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.394 6.724 -6.761 1.00 0.41 H new ATOM 2238 N GLN A 143 13.067 6.778 -10.100 1.00 0.31 N ATOM 2239 CA GLN A 143 13.118 6.465 -11.583 1.00 0.39 C ATOM 2240 C GLN A 143 14.149 7.338 -12.364 1.00 0.41 C ATOM 2241 O GLN A 143 15.268 6.894 -12.632 1.00 0.46 O ATOM 2242 CB GLN A 143 11.708 6.562 -12.248 1.00 0.44 C ATOM 2243 CG GLN A 143 10.869 5.260 -12.256 1.00 0.65 C ATOM 2244 CD GLN A 143 10.291 4.908 -10.894 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.181 5.317 -10.556 1.00 1.56 O ATOM 2246 NE2 GLN A 143 11.046 4.149 -10.108 1.00 1.12 N ATOM 0 H GLN A 143 13.445 6.024 -9.527 1.00 0.31 H new ATOM 0 HA GLN A 143 13.462 5.433 -11.647 1.00 0.39 H new ATOM 0 HB2 GLN A 143 11.138 7.335 -11.733 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.836 6.894 -13.278 1.00 0.44 H new ATOM 0 HG2 GLN A 143 10.054 5.365 -12.972 1.00 0.65 H new ATOM 0 HG3 GLN A 143 11.493 4.436 -12.602 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.961 3.833 -10.430 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.711 3.882 -9.182 1.00 1.12 H new ATOM 2255 N GLY A 144 13.736 8.572 -12.714 1.00 0.40 N ATOM 2256 CA GLY A 144 14.603 9.524 -13.412 1.00 0.45 C ATOM 2257 C GLY A 144 14.646 10.921 -12.755 1.00 0.42 C ATOM 2258 O GLY A 144 14.956 11.909 -13.426 1.00 0.49 O ATOM 0 H GLY A 144 12.800 8.928 -12.520 1.00 0.40 H new ATOM 0 HA2 GLY A 144 15.614 9.119 -13.452 1.00 0.45 H new ATOM 0 HA3 GLY A 144 14.260 9.627 -14.442 1.00 0.45 H new ATOM 2262 N GLU A 145 14.331 10.994 -11.435 1.00 0.33 N ATOM 2263 CA GLU A 145 14.342 12.253 -10.668 1.00 0.32 C ATOM 2264 C GLU A 145 15.244 12.128 -9.425 1.00 0.27 C ATOM 2265 O GLU A 145 15.011 11.281 -8.562 1.00 0.36 O ATOM 2266 CB GLU A 145 12.899 12.619 -10.238 1.00 0.37 C ATOM 2267 CG GLU A 145 12.693 14.092 -9.835 1.00 0.80 C ATOM 2268 CD GLU A 145 12.562 15.019 -11.032 1.00 1.16 C ATOM 2269 OE1 GLU A 145 11.450 15.112 -11.595 1.00 1.53 O ATOM 2270 OE2 GLU A 145 13.572 15.651 -11.407 1.00 1.82 O ATOM 0 H GLU A 145 14.064 10.180 -10.881 1.00 0.33 H new ATOM 0 HA GLU A 145 14.741 13.042 -11.305 1.00 0.32 H new ATOM 0 HB2 GLU A 145 12.221 12.384 -11.059 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.614 11.985 -9.398 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.797 14.173 -9.219 1.00 0.80 H new ATOM 0 HG3 GLU A 145 13.533 14.416 -9.221 1.00 0.80 H new ATOM 2277 N VAL A 146 16.258 13.006 -9.328 1.00 0.30 N ATOM 2278 CA VAL A 146 17.225 12.990 -8.194 1.00 0.27 C ATOM 2279 C VAL A 146 17.002 14.186 -7.227 1.00 0.28 C ATOM 2280 O VAL A 146 16.853 15.340 -7.650 1.00 0.32 O ATOM 2281 CB VAL A 146 18.779 12.957 -8.583 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.485 11.701 -8.045 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.119 13.107 -10.098 1.00 0.72 C ATOM 0 H VAL A 146 16.437 13.738 -10.015 1.00 0.30 H new ATOM 0 HA VAL A 146 17.002 12.036 -7.715 1.00 0.27 H new ATOM 0 HB VAL A 146 19.155 13.857 -8.096 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.536 11.723 -8.333 1.00 1.02 H new ATOM 0 HG12 VAL A 146 19.407 11.677 -6.958 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.013 10.811 -8.462 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.200 13.069 -10.234 1.00 0.72 H new ATOM 0 HG22 VAL A 146 18.654 12.295 -10.657 1.00 0.72 H new ATOM 0 HG23 VAL A 146 18.741 14.062 -10.463 1.00 0.72 H new ATOM 2293 N SER A 147 17.007 13.868 -5.925 1.00 0.27 N ATOM 2294 CA SER A 147 16.816 14.847 -4.851 1.00 0.29 C ATOM 2295 C SER A 147 17.582 14.419 -3.577 1.00 0.29 C ATOM 2296 O SER A 147 18.402 13.492 -3.598 1.00 0.30 O ATOM 2297 CB SER A 147 15.311 15.009 -4.549 1.00 0.31 C ATOM 2298 OG SER A 147 14.751 16.080 -5.291 1.00 0.56 O ATOM 0 H SER A 147 17.145 12.916 -5.587 1.00 0.27 H new ATOM 0 HA SER A 147 17.216 15.807 -5.178 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.788 14.084 -4.790 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.169 15.188 -3.483 1.00 0.31 H new ATOM 0 HG SER A 147 15.205 16.151 -6.157 1.00 0.56 H new ATOM 2304 N THR A 148 17.323 15.124 -2.469 1.00 0.30 N ATOM 2305 CA THR A 148 17.970 14.839 -1.164 1.00 0.31 C ATOM 2306 C THR A 148 17.062 14.046 -0.186 1.00 0.27 C ATOM 2307 O THR A 148 15.865 14.327 -0.053 1.00 0.32 O ATOM 2308 CB THR A 148 18.439 16.135 -0.398 1.00 0.44 C ATOM 2309 OG1 THR A 148 18.008 17.347 -1.049 1.00 1.25 O ATOM 2310 CG2 THR A 148 19.967 16.196 -0.197 1.00 0.99 C ATOM 0 H THR A 148 16.666 15.904 -2.442 1.00 0.30 H new ATOM 0 HA THR A 148 18.834 14.238 -1.447 1.00 0.31 H new ATOM 0 HB THR A 148 17.962 16.064 0.579 1.00 0.44 H new ATOM 0 HG1 THR A 148 18.321 18.122 -0.537 1.00 1.25 H new ATOM 0 HG21 THR A 148 20.228 17.110 0.336 1.00 0.99 H new ATOM 0 HG22 THR A 148 20.292 15.333 0.383 1.00 0.99 H new ATOM 0 HG23 THR A 148 20.462 16.188 -1.168 1.00 0.99 H new ATOM 2318 N PHE A 149 17.676 13.057 0.508 1.00 0.26 N ATOM 2319 CA PHE A 149 16.988 12.265 1.560 1.00 0.24 C ATOM 2320 C PHE A 149 17.272 12.904 2.939 1.00 0.24 C ATOM 2321 O PHE A 149 18.433 12.994 3.362 1.00 0.29 O ATOM 2322 CB PHE A 149 17.467 10.777 1.585 1.00 0.23 C ATOM 2323 CG PHE A 149 16.871 9.952 2.744 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.489 9.757 2.857 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.685 9.438 3.761 1.00 0.24 C ATOM 2326 CE1 PHE A 149 14.953 9.091 3.932 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.139 8.754 4.830 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.773 8.587 4.916 1.00 0.25 C ATOM 0 H PHE A 149 18.648 12.787 0.359 1.00 0.26 H new ATOM 0 HA PHE A 149 15.921 12.271 1.336 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.201 10.303 0.640 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.554 10.756 1.658 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.834 10.136 2.087 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.755 9.578 3.709 1.00 0.24 H new ATOM 0 HE1 PHE A 149 13.883 8.962 4.006 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.782 8.350 5.598 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.346 8.060 5.756 1.00 0.25 H new ATOM 2338 N THR A 150 16.209 13.327 3.635 1.00 0.25 N ATOM 2339 CA THR A 150 16.386 13.956 4.964 1.00 0.30 C ATOM 2340 C THR A 150 15.433 13.359 6.020 1.00 0.40 C ATOM 2341 O THR A 150 14.292 13.807 6.183 1.00 1.15 O ATOM 2342 CB THR A 150 16.235 15.533 4.938 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.283 15.965 3.945 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.580 16.255 4.692 1.00 1.18 C ATOM 0 H THR A 150 15.242 13.252 3.319 1.00 0.25 H new ATOM 0 HA THR A 150 17.414 13.729 5.247 1.00 0.30 H new ATOM 0 HB THR A 150 15.872 15.806 5.929 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.216 16.943 3.960 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.418 17.333 4.684 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.281 15.999 5.487 1.00 1.18 H new ATOM 0 HG23 THR A 150 17.990 15.943 3.732 1.00 1.18 H new ATOM 2352 N GLY A 151 15.942 12.322 6.734 1.00 0.32 N ATOM 2353 CA GLY A 151 15.205 11.638 7.819 1.00 0.18 C ATOM 2354 C GLY A 151 14.231 10.532 7.406 1.00 0.20 C ATOM 2355 O GLY A 151 14.502 9.358 7.661 1.00 0.42 O ATOM 0 H GLY A 151 16.874 11.940 6.571 1.00 0.32 H new ATOM 0 HA2 GLY A 151 15.934 11.208 8.506 1.00 0.18 H new ATOM 0 HA3 GLY A 151 14.647 12.390 8.376 1.00 0.18 H new ATOM 2359 N LYS A 152 13.092 10.902 6.791 1.00 0.16 N ATOM 2360 CA LYS A 152 12.091 9.904 6.376 1.00 0.13 C ATOM 2361 C LYS A 152 11.595 10.062 4.947 1.00 0.13 C ATOM 2362 O LYS A 152 11.869 11.034 4.239 1.00 0.16 O ATOM 2363 CB LYS A 152 10.805 9.875 7.276 1.00 0.22 C ATOM 2364 CG LYS A 152 10.837 10.648 8.614 1.00 0.41 C ATOM 2365 CD LYS A 152 10.206 12.072 8.534 1.00 0.56 C ATOM 2366 CE LYS A 152 10.964 13.035 7.610 1.00 0.69 C ATOM 2367 NZ LYS A 152 10.401 14.412 7.677 1.00 1.10 N ATOM 0 H LYS A 152 12.845 11.868 6.574 1.00 0.16 H new ATOM 0 HA LYS A 152 12.656 8.978 6.479 1.00 0.13 H new ATOM 0 HB2 LYS A 152 9.976 10.264 6.686 1.00 0.22 H new ATOM 0 HB3 LYS A 152 10.577 8.833 7.498 1.00 0.22 H new ATOM 0 HG2 LYS A 152 10.308 10.068 9.370 1.00 0.41 H new ATOM 0 HG3 LYS A 152 11.871 10.737 8.947 1.00 0.41 H new ATOM 0 HD2 LYS A 152 9.177 11.984 8.186 1.00 0.56 H new ATOM 0 HD3 LYS A 152 10.168 12.499 9.536 1.00 0.56 H new ATOM 0 HE2 LYS A 152 12.017 13.057 7.891 1.00 0.69 H new ATOM 0 HE3 LYS A 152 10.915 12.670 6.584 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 10.936 15.037 7.041 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 9.403 14.394 7.385 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 10.470 14.768 8.652 1.00 1.10 H new ATOM 2381 N LEU A 153 10.826 9.029 4.582 1.00 0.12 N ATOM 2382 CA LEU A 153 10.126 8.899 3.292 1.00 0.13 C ATOM 2383 C LEU A 153 8.624 9.039 3.568 1.00 0.13 C ATOM 2384 O LEU A 153 8.089 8.307 4.409 1.00 0.18 O ATOM 2385 CB LEU A 153 10.424 7.524 2.661 1.00 0.15 C ATOM 2386 CG LEU A 153 10.830 7.482 1.159 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.549 6.179 0.829 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.626 7.628 0.227 1.00 0.67 C ATOM 0 H LEU A 153 10.666 8.231 5.197 1.00 0.12 H new ATOM 0 HA LEU A 153 10.461 9.667 2.595 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.224 7.059 3.236 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.539 6.901 2.785 1.00 0.15 H new ATOM 0 HG LEU A 153 11.497 8.329 0.998 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.823 6.172 -0.226 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.449 6.096 1.438 1.00 0.43 H new ATOM 0 HD13 LEU A 153 10.890 5.337 1.038 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.962 7.592 -0.809 1.00 0.67 H new ATOM 0 HD22 LEU A 153 8.924 6.814 0.409 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.133 8.582 0.416 1.00 0.67 H new ATOM 2400 N SER A 154 7.918 9.950 2.876 1.00 0.14 N ATOM 2401 CA SER A 154 6.507 10.137 3.214 1.00 0.16 C ATOM 2402 C SER A 154 5.534 9.792 2.077 1.00 0.19 C ATOM 2403 O SER A 154 5.543 10.397 1.009 1.00 0.36 O ATOM 2404 CB SER A 154 6.305 11.591 3.679 1.00 0.21 C ATOM 2405 OG SER A 154 5.168 11.744 4.524 1.00 0.24 O ATOM 0 H SER A 154 8.279 10.535 2.123 1.00 0.14 H new ATOM 0 HA SER A 154 6.269 9.432 4.011 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.196 11.925 4.211 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.194 12.235 2.807 1.00 0.21 H new ATOM 0 HG SER A 154 4.557 12.403 4.134 1.00 0.24 H new ATOM 2411 N VAL A 155 4.629 8.850 2.381 1.00 0.16 N ATOM 2412 CA VAL A 155 3.599 8.383 1.415 1.00 0.19 C ATOM 2413 C VAL A 155 2.227 8.956 1.848 1.00 0.25 C ATOM 2414 O VAL A 155 1.588 8.448 2.780 1.00 0.30 O ATOM 2415 CB VAL A 155 3.494 6.785 1.252 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.909 6.359 -0.124 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.838 6.044 1.425 1.00 0.74 C ATOM 0 H VAL A 155 4.582 8.389 3.290 1.00 0.16 H new ATOM 0 HA VAL A 155 3.905 8.749 0.435 1.00 0.19 H new ATOM 0 HB VAL A 155 2.821 6.498 2.060 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.861 5.271 -0.178 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.907 6.772 -0.237 1.00 0.39 H new ATOM 0 HG13 VAL A 155 3.548 6.734 -0.923 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.681 4.973 1.300 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.547 6.397 0.676 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.235 6.239 2.421 1.00 0.74 H new ATOM 2427 N GLU A 156 1.812 10.021 1.151 1.00 0.28 N ATOM 2428 CA GLU A 156 0.527 10.678 1.427 1.00 0.36 C ATOM 2429 C GLU A 156 -0.249 10.942 0.143 1.00 0.34 C ATOM 2430 O GLU A 156 0.321 11.250 -0.916 1.00 0.38 O ATOM 2431 CB GLU A 156 0.681 11.994 2.257 1.00 0.53 C ATOM 2432 CG GLU A 156 1.985 12.769 2.042 1.00 0.73 C ATOM 2433 CD GLU A 156 2.176 13.874 3.065 1.00 1.26 C ATOM 2434 OE1 GLU A 156 2.776 13.605 4.127 1.00 1.66 O ATOM 2435 OE2 GLU A 156 1.723 15.009 2.804 1.00 1.67 O ATOM 0 H GLU A 156 2.346 10.446 0.393 1.00 0.28 H new ATOM 0 HA GLU A 156 -0.043 9.980 2.041 1.00 0.36 H new ATOM 0 HB2 GLU A 156 -0.154 12.652 2.018 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.598 11.746 3.315 1.00 0.53 H new ATOM 0 HG2 GLU A 156 2.827 12.079 2.094 1.00 0.73 H new ATOM 0 HG3 GLU A 156 1.988 13.200 1.041 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.572 10.799 0.255 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.466 10.994 -0.884 1.00 0.40 C ATOM 2444 C PHE A 157 -3.416 12.180 -0.694 1.00 0.41 C ATOM 2445 O PHE A 157 -3.925 12.452 0.411 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.277 9.713 -1.245 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.416 8.656 -0.144 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -2.365 7.795 0.175 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -4.600 8.549 0.591 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -2.496 6.859 1.188 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -4.730 7.613 1.605 1.00 1.60 C ATOM 2452 CZ PHE A 157 -3.665 6.689 1.829 1.00 1.80 C ATOM 0 H PHE A 157 -2.045 10.549 1.123 1.00 0.35 H new ATOM 0 HA PHE A 157 -1.807 11.220 -1.722 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.277 10.018 -1.552 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.807 9.245 -2.110 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.438 7.859 -0.375 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -5.427 9.206 0.365 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -1.645 6.256 1.467 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -5.621 7.583 2.215 1.00 1.60 H new ATOM 0 HZ PHE A 157 -3.798 5.860 2.508 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.635 12.871 -1.826 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.516 14.069 -1.917 1.00 0.46 C ATOM 2464 C VAL A 158 -5.874 13.647 -2.568 1.00 0.48 C ATOM 2465 O VAL A 158 -5.908 12.914 -3.575 1.00 0.47 O ATOM 2466 CB VAL A 158 -3.883 15.323 -2.722 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.377 16.684 -2.163 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.330 15.378 -2.741 1.00 0.58 C ATOM 0 H VAL A 158 -3.206 12.619 -2.716 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.652 14.427 -0.897 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.233 15.157 -3.741 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -3.927 17.497 -2.733 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.462 16.740 -2.247 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.089 16.773 -1.115 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.004 16.253 -3.304 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -1.956 15.443 -1.719 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -1.940 14.476 -3.213 1.00 0.58 H new ATOM 2478 N LYS A 159 -6.977 14.164 -1.982 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.366 13.849 -2.409 1.00 0.56 C ATOM 2480 C LYS A 159 -8.881 14.660 -3.630 1.00 0.66 C ATOM 2481 O LYS A 159 -8.510 15.821 -3.842 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.343 14.047 -1.216 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.411 15.495 -0.668 1.00 1.06 C ATOM 2484 CD LYS A 159 -10.556 15.695 0.353 1.00 1.48 C ATOM 2485 CE LYS A 159 -10.667 17.151 0.835 1.00 1.63 C ATOM 2486 NZ LYS A 159 -11.771 17.320 1.820 1.00 2.18 N ATOM 0 H LYS A 159 -6.933 14.814 -1.197 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.335 12.809 -2.733 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.342 13.744 -1.528 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.046 13.380 -0.406 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -8.461 15.745 -0.196 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.546 16.187 -1.499 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.500 15.393 -0.101 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -10.392 15.043 1.211 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -9.724 17.458 1.288 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -10.838 17.806 -0.020 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -11.817 18.314 2.123 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -12.674 17.051 1.379 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -11.595 16.714 2.646 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.762 14.006 -4.407 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.378 14.617 -5.595 1.00 0.93 C ATOM 2502 C GLY A 160 -11.847 15.050 -5.393 1.00 0.96 C ATOM 2503 O GLY A 160 -12.297 16.008 -6.029 1.00 1.02 O ATOM 0 H GLY A 160 -10.064 13.048 -4.231 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.791 15.488 -5.888 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.330 13.908 -6.421 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.587 14.339 -4.511 1.00 0.96 N ATOM 2508 CA TYR A 161 -13.989 14.661 -4.209 1.00 1.02 C ATOM 2509 C TYR A 161 -14.213 14.779 -2.678 1.00 1.05 C ATOM 2510 O TYR A 161 -14.236 15.895 -2.151 1.00 1.11 O ATOM 2511 CB TYR A 161 -14.933 13.612 -4.846 1.00 1.14 C ATOM 2512 CG TYR A 161 -16.350 14.132 -5.146 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -16.648 14.791 -6.346 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -17.391 13.959 -4.227 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -17.927 15.254 -6.611 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -18.670 14.423 -4.495 1.00 2.26 C ATOM 2517 CZ TYR A 161 -18.919 15.087 -5.695 1.00 2.29 C ATOM 2518 OH TYR A 161 -20.199 15.527 -5.949 1.00 2.86 O ATOM 0 H TYR A 161 -12.228 13.535 -3.997 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.225 15.631 -4.646 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.486 13.255 -5.774 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -15.008 12.755 -4.177 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -15.867 14.941 -7.077 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.195 13.455 -3.292 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -18.137 15.749 -7.548 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -19.466 14.271 -3.781 1.00 2.26 H new ATOM 0 HH TYR A 161 -20.774 15.321 -5.182 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.368 13.629 -1.971 1.00 1.09 N ATOM 2529 CA TYR A 162 -14.586 13.609 -0.499 1.00 1.17 C ATOM 2530 C TYR A 162 -14.529 12.166 0.080 1.00 1.10 C ATOM 2531 O TYR A 162 -15.409 11.773 0.855 1.00 1.71 O ATOM 2532 CB TYR A 162 -15.959 14.248 -0.158 1.00 1.54 C ATOM 2533 CG TYR A 162 -15.951 15.191 1.055 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -15.562 16.532 0.936 1.00 2.57 C ATOM 2535 CD2 TYR A 162 -16.328 14.736 2.323 1.00 2.00 C ATOM 2536 CE1 TYR A 162 -15.552 17.373 2.038 1.00 3.18 C ATOM 2537 CE2 TYR A 162 -16.317 15.580 3.422 1.00 2.64 C ATOM 2538 CZ TYR A 162 -15.943 16.923 3.249 1.00 3.16 C ATOM 2539 OH TYR A 162 -15.917 17.730 4.365 1.00 3.91 O ATOM 0 H TYR A 162 -14.346 12.702 -2.397 1.00 1.09 H new ATOM 0 HA TYR A 162 -13.781 14.186 -0.043 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.311 14.802 -1.028 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.679 13.450 0.025 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -15.266 16.916 -0.029 1.00 2.57 H new ATOM 0 HD2 TYR A 162 -16.633 13.708 2.448 1.00 2.00 H new ATOM 0 HE1 TYR A 162 -15.228 18.397 1.927 1.00 3.18 H new ATOM 0 HE2 TYR A 162 -16.592 15.210 4.399 1.00 2.64 H new ATOM 0 HH TYR A 162 -16.237 17.225 5.141 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.477 11.384 -0.276 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.328 9.977 0.193 1.00 0.99 C ATOM 2551 C ASP A 163 -11.890 9.444 0.093 1.00 1.06 C ATOM 2552 O ASP A 163 -11.442 8.772 1.025 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.265 9.035 -0.599 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.411 8.471 0.239 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -16.442 9.161 0.381 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -15.271 7.340 0.753 1.00 1.27 O ATOM 0 H ASP A 163 -12.721 11.700 -0.884 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.600 9.991 1.248 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -14.679 9.578 -1.449 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.680 8.209 -1.003 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.173 9.716 -1.053 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.771 9.221 -1.323 1.00 0.83 C ATOM 2563 C ASN A 164 -9.807 7.758 -1.920 1.00 1.01 C ATOM 2564 O ASN A 164 -10.907 7.281 -2.246 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.901 9.353 -0.039 1.00 1.02 C ATOM 2566 CG ASN A 164 -7.773 10.375 -0.175 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.137 10.492 -1.223 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.540 11.131 0.890 1.00 0.82 N ATOM 0 H ASN A 164 -11.550 10.283 -1.813 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.296 9.843 -2.082 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.540 9.637 0.797 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.473 8.380 0.203 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -6.810 11.843 0.860 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.091 11.000 1.738 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.653 7.001 -2.134 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.694 5.581 -2.675 1.00 1.06 C ATOM 2577 C PRO A 165 -9.392 4.528 -1.761 1.00 0.93 C ATOM 2578 O PRO A 165 -9.780 3.455 -2.231 1.00 1.76 O ATOM 2579 CB PRO A 165 -7.209 5.223 -2.845 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.534 6.553 -3.005 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.241 7.454 -2.016 1.00 1.41 C ATOM 0 HA PRO A 165 -9.292 5.553 -3.586 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.827 4.682 -1.979 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -7.048 4.586 -3.715 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.468 6.486 -2.790 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.631 6.928 -4.024 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -6.856 7.329 -1.004 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.128 8.508 -2.272 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.522 4.871 -0.446 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.218 4.066 0.611 1.00 0.47 C ATOM 2591 C LYS A 166 -9.361 2.927 1.245 1.00 0.42 C ATOM 2592 O LYS A 166 -9.030 3.017 2.430 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.602 3.551 0.113 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.647 3.260 1.222 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.373 4.533 1.728 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.348 4.234 2.878 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.018 5.472 3.362 1.00 3.00 N ATOM 0 H LYS A 166 -9.135 5.740 -0.079 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.385 4.763 1.433 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.020 4.290 -0.570 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.445 2.638 -0.462 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -13.386 2.556 0.840 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.150 2.775 2.062 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -12.634 5.261 2.062 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.919 4.989 0.902 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -15.100 3.520 2.542 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -13.808 3.766 3.701 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -15.950 5.231 3.756 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -14.435 5.917 4.100 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -15.138 6.134 2.569 1.00 3.00 H new ATOM 2611 N VAL A 167 -8.999 1.860 0.472 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.171 0.733 1.028 1.00 0.38 C ATOM 2613 C VAL A 167 -6.677 0.906 0.603 1.00 0.34 C ATOM 2614 O VAL A 167 -6.379 1.016 -0.602 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.719 -0.724 0.564 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -7.954 -1.932 1.185 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.220 -0.952 0.876 1.00 0.58 C ATOM 0 H VAL A 167 -9.256 1.752 -0.509 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.251 0.777 2.114 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.548 -0.694 -0.512 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.387 -2.863 0.820 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -6.903 -1.884 0.898 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.036 -1.895 2.271 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.515 -1.945 0.538 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.385 -0.870 1.950 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.817 -0.201 0.359 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.761 0.791 1.611 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.308 0.913 1.344 1.00 0.35 C ATOM 2629 C CYS A 168 -3.505 -0.204 2.044 1.00 0.36 C ATOM 2630 O CYS A 168 -3.598 -0.389 3.246 1.00 0.48 O ATOM 2631 CB CYS A 168 -3.805 2.286 1.781 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.300 2.835 0.939 1.00 0.87 S ATOM 0 H CYS A 168 -6.001 0.619 2.587 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.156 0.804 0.270 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.592 3.020 1.607 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.619 2.266 2.855 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.597 3.241 -0.260 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.680 -0.918 1.250 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.870 -2.095 1.693 1.00 0.29 C ATOM 2640 C ALA A 169 -0.311 -1.925 1.652 1.00 0.25 C ATOM 2641 O ALA A 169 0.394 -2.656 0.917 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.349 -3.414 1.062 1.00 0.34 C ATOM 0 H ALA A 169 -2.549 -0.697 0.263 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.076 -2.150 2.762 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.726 -4.235 1.418 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.386 -3.597 1.344 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.274 -3.346 -0.023 1.00 0.34 H new ATOM 2648 N LEU A 170 0.206 -0.813 2.266 1.00 0.22 N ATOM 2649 CA LEU A 170 1.677 -0.463 2.369 1.00 0.21 C ATOM 2650 C LEU A 170 2.610 -1.643 2.794 1.00 0.19 C ATOM 2651 O LEU A 170 2.364 -2.338 3.781 1.00 0.34 O ATOM 2652 CB LEU A 170 1.835 0.669 3.425 1.00 0.31 C ATOM 2653 CG LEU A 170 2.844 1.857 3.163 1.00 0.38 C ATOM 2654 CD1 LEU A 170 4.316 1.432 3.123 1.00 0.50 C ATOM 2655 CD2 LEU A 170 2.527 2.625 1.890 1.00 0.70 C ATOM 0 H LEU A 170 -0.392 -0.118 2.713 1.00 0.22 H new ATOM 0 HA LEU A 170 1.986 -0.169 1.366 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.850 1.108 3.579 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.125 0.198 4.364 1.00 0.31 H new ATOM 0 HG LEU A 170 2.703 2.506 4.027 1.00 0.38 H new ATOM 0 HD11 LEU A 170 4.942 2.305 2.939 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.591 0.983 4.077 1.00 0.50 H new ATOM 0 HD13 LEU A 170 4.463 0.705 2.324 1.00 0.50 H new ATOM 0 HD21 LEU A 170 3.251 3.429 1.760 1.00 0.70 H new ATOM 0 HD22 LEU A 170 2.577 1.950 1.036 1.00 0.70 H new ATOM 0 HD23 LEU A 170 1.525 3.048 1.960 1.00 0.70 H new ATOM 2667 N PHE A 171 3.653 -1.844 1.995 1.00 0.16 N ATOM 2668 CA PHE A 171 4.653 -2.882 2.229 1.00 0.14 C ATOM 2669 C PHE A 171 6.018 -2.407 1.686 1.00 0.14 C ATOM 2670 O PHE A 171 6.277 -2.513 0.481 1.00 0.19 O ATOM 2671 CB PHE A 171 4.205 -4.222 1.550 1.00 0.17 C ATOM 2672 CG PHE A 171 5.268 -5.333 1.449 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.236 -5.492 2.444 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.286 -6.228 0.375 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.179 -6.505 2.363 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.220 -7.229 0.299 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.218 -7.319 1.246 1.00 0.17 C ATOM 0 H PHE A 171 3.830 -1.287 1.159 1.00 0.16 H new ATOM 0 HA PHE A 171 4.751 -3.067 3.299 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.352 -4.616 2.103 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.854 -3.993 0.544 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.250 -4.817 3.287 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.550 -6.129 -0.410 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.881 -6.658 3.170 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.174 -7.949 -0.505 1.00 0.21 H new ATOM 0 HZ PHE A 171 8.027 -8.023 1.116 1.00 0.17 H new ATOM 2687 N ILE A 172 6.890 -1.882 2.571 1.00 0.10 N ATOM 2688 CA ILE A 172 8.231 -1.471 2.133 1.00 0.10 C ATOM 2689 C ILE A 172 9.362 -2.369 2.754 1.00 0.08 C ATOM 2690 O ILE A 172 9.531 -2.493 3.996 1.00 0.08 O ATOM 2691 CB ILE A 172 8.546 0.106 2.197 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.933 0.378 1.506 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.486 0.740 3.630 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.155 1.755 0.873 1.00 0.31 C ATOM 0 H ILE A 172 6.695 -1.737 3.562 1.00 0.10 H new ATOM 0 HA ILE A 172 8.227 -1.660 1.059 1.00 0.10 H new ATOM 0 HB ILE A 172 7.742 0.606 1.657 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.715 0.221 2.249 1.00 0.14 H new ATOM 0 HG13 ILE A 172 10.075 -0.375 0.730 1.00 0.14 H new ATOM 0 HG21 ILE A 172 8.713 1.804 3.567 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.487 0.606 4.046 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.216 0.251 4.275 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.153 1.798 0.436 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.410 1.922 0.095 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.060 2.526 1.637 1.00 0.31 H new ATOM 2706 N MET A 173 10.132 -2.956 1.831 1.00 0.09 N ATOM 2707 CA MET A 173 11.254 -3.853 2.159 1.00 0.11 C ATOM 2708 C MET A 173 12.578 -3.347 1.527 1.00 0.13 C ATOM 2709 O MET A 173 12.563 -2.459 0.662 1.00 0.21 O ATOM 2710 CB MET A 173 10.924 -5.315 1.740 1.00 0.15 C ATOM 2711 CG MET A 173 10.341 -5.469 0.316 1.00 0.17 C ATOM 2712 SD MET A 173 11.591 -5.396 -0.988 1.00 0.44 S ATOM 2713 CE MET A 173 12.559 -6.870 -0.666 1.00 0.26 C ATOM 0 H MET A 173 9.996 -2.824 0.829 1.00 0.09 H new ATOM 0 HA MET A 173 11.399 -3.847 3.239 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.833 -5.912 1.811 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.213 -5.731 2.455 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.813 -6.420 0.249 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.605 -4.683 0.147 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.115 -7.143 -1.563 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.256 -6.676 0.149 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.895 -7.688 -0.388 1.00 0.26 H new ATOM 2723 N LYS A 174 13.729 -3.913 1.944 1.00 0.12 N ATOM 2724 CA LYS A 174 15.018 -3.406 1.444 1.00 0.19 C ATOM 2725 C LYS A 174 15.965 -4.399 0.713 1.00 0.16 C ATOM 2726 O LYS A 174 15.907 -5.626 0.835 1.00 0.17 O ATOM 2727 CB LYS A 174 15.786 -2.703 2.609 1.00 0.38 C ATOM 2728 CG LYS A 174 16.553 -3.659 3.557 1.00 0.54 C ATOM 2729 CD LYS A 174 17.244 -2.944 4.750 1.00 0.57 C ATOM 2730 CE LYS A 174 18.549 -2.222 4.365 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.223 -1.639 5.558 1.00 1.26 N ATOM 0 H LYS A 174 13.792 -4.691 2.600 1.00 0.12 H new ATOM 0 HA LYS A 174 14.727 -2.718 0.650 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.495 -1.994 2.181 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.073 -2.126 3.198 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.858 -4.403 3.946 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.307 -4.196 2.982 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.551 -2.220 5.179 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.460 -3.678 5.527 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.222 -2.923 3.872 1.00 0.49 H new ATOM 0 HE3 LYS A 174 18.330 -1.432 3.647 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.098 -1.160 5.263 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 18.589 -0.952 6.014 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.453 -2.397 6.232 1.00 1.26 H new ATOM 2745 N GLY A 175 16.837 -3.728 -0.041 1.00 0.14 N ATOM 2746 CA GLY A 175 17.970 -4.271 -0.799 1.00 0.15 C ATOM 2747 C GLY A 175 17.845 -4.400 -2.331 1.00 0.13 C ATOM 2748 O GLY A 175 18.750 -3.877 -2.997 1.00 0.17 O ATOM 0 H GLY A 175 16.766 -2.716 -0.147 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.837 -3.645 -0.590 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.189 -5.262 -0.401 1.00 0.15 H new ATOM 2752 N THR A 176 16.678 -4.871 -2.897 1.00 0.11 N ATOM 2753 CA THR A 176 16.482 -5.036 -4.395 1.00 0.10 C ATOM 2754 C THR A 176 15.068 -5.544 -4.766 1.00 0.10 C ATOM 2755 O THR A 176 14.402 -6.233 -3.984 1.00 0.13 O ATOM 2756 CB THR A 176 17.500 -6.012 -5.124 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.100 -6.966 -4.225 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.611 -5.267 -5.903 1.00 0.15 C ATOM 0 H THR A 176 15.863 -5.142 -2.347 1.00 0.11 H new ATOM 0 HA THR A 176 16.657 -4.019 -4.745 1.00 0.10 H new ATOM 0 HB THR A 176 16.887 -6.552 -5.845 1.00 0.12 H new ATOM 0 HG1 THR A 176 17.803 -7.870 -4.461 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.272 -5.993 -6.377 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.158 -4.635 -6.667 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.186 -4.648 -5.214 1.00 0.15 H new ATOM 2766 N ALA A 177 14.631 -5.197 -6.022 1.00 0.10 N ATOM 2767 CA ALA A 177 13.314 -5.608 -6.619 1.00 0.11 C ATOM 2768 C ALA A 177 13.250 -7.104 -7.108 1.00 0.15 C ATOM 2769 O ALA A 177 12.158 -7.673 -7.237 1.00 0.17 O ATOM 2770 CB ALA A 177 12.960 -4.640 -7.773 1.00 0.15 C ATOM 0 H ALA A 177 15.188 -4.620 -6.652 1.00 0.10 H new ATOM 0 HA ALA A 177 12.577 -5.546 -5.818 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.006 -4.931 -8.212 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.887 -3.624 -7.386 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.738 -4.683 -8.535 1.00 0.15 H new ATOM 2776 N ASP A 178 14.430 -7.740 -7.359 1.00 0.19 N ATOM 2777 CA ASP A 178 14.525 -9.172 -7.782 1.00 0.24 C ATOM 2778 C ASP A 178 14.601 -10.189 -6.585 1.00 0.26 C ATOM 2779 O ASP A 178 14.757 -11.395 -6.803 1.00 0.31 O ATOM 2780 CB ASP A 178 15.755 -9.362 -8.683 1.00 0.31 C ATOM 2781 CG ASP A 178 15.433 -9.269 -10.171 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.456 -8.144 -10.714 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.158 -10.320 -10.787 1.00 0.55 O ATOM 0 H ASP A 178 15.337 -7.280 -7.275 1.00 0.19 H new ATOM 0 HA ASP A 178 13.602 -9.391 -8.319 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.501 -8.608 -8.432 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.202 -10.334 -8.475 1.00 0.31 H new ATOM 2788 N ASP A 179 14.475 -9.681 -5.336 1.00 0.24 N ATOM 2789 CA ASP A 179 14.542 -10.501 -4.097 1.00 0.31 C ATOM 2790 C ASP A 179 13.198 -10.596 -3.315 1.00 0.32 C ATOM 2791 O ASP A 179 13.164 -11.195 -2.234 1.00 0.44 O ATOM 2792 CB ASP A 179 15.595 -9.905 -3.156 1.00 0.37 C ATOM 2793 CG ASP A 179 17.011 -10.419 -3.411 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.693 -9.867 -4.301 1.00 0.52 O ATOM 2795 OD2 ASP A 179 17.431 -11.369 -2.717 1.00 0.60 O ATOM 0 H ASP A 179 14.324 -8.688 -5.156 1.00 0.24 H new ATOM 0 HA ASP A 179 14.795 -11.510 -4.422 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.588 -8.820 -3.259 1.00 0.37 H new ATOM 0 HB3 ASP A 179 15.317 -10.129 -2.126 1.00 0.37 H new ATOM 2800 N VAL A 180 12.099 -9.996 -3.858 1.00 0.24 N ATOM 2801 CA VAL A 180 10.713 -10.000 -3.222 1.00 0.29 C ATOM 2802 C VAL A 180 10.045 -11.414 -2.971 1.00 0.50 C ATOM 2803 O VAL A 180 9.339 -11.554 -1.982 1.00 0.95 O ATOM 2804 CB VAL A 180 9.628 -9.022 -3.903 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.782 -7.574 -3.403 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.601 -9.000 -5.464 1.00 0.50 C ATOM 0 H VAL A 180 12.131 -9.493 -4.745 1.00 0.24 H new ATOM 0 HA VAL A 180 10.980 -9.594 -2.246 1.00 0.29 H new ATOM 0 HB VAL A 180 8.680 -9.458 -3.587 1.00 0.27 H new ATOM 0 HG11 VAL A 180 9.035 -6.942 -3.883 1.00 0.48 H new ATOM 0 HG12 VAL A 180 9.642 -7.545 -2.322 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.779 -7.208 -3.649 1.00 0.48 H new ATOM 0 HG21 VAL A 180 8.832 -8.307 -5.805 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.572 -8.678 -5.840 1.00 0.50 H new ATOM 0 HG23 VAL A 180 9.380 -10.000 -5.838 1.00 0.50 H new