USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 907 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 103 GLN : amide:sc= -4.9 K(o=-15,f=-23!) USER MOD Set 1.2: A 104 GLN : amide:sc= -10.4! C(o=-15!,f=-21!) USER MOD Set 2.1: A 62 THR OG1 : rot -176:sc= 1.03 USER MOD Set 2.2: A 64 THR OG1 : rot -65:sc= 1 USER MOD Single : A 8 SER OG : rot 160:sc= -0.927 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -27:sc= 0.0722 USER MOD Single : A 28 SER OG : rot 180:sc= -0.317 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.649 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.104 (180deg=-0.454) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -111:sc= -7.89! (180deg=-10.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc=-0.00513 X(o=-0.0051,f=-0.0043) USER MOD Single : A 63 GLN : amide:sc= -0.651 K(o=-0.65,f=-5.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 82 TYR OH : rot 1:sc= -1.94! USER MOD Single : A 84 ASN : amide:sc= -9.35! C(o=-9.4!,f=-17!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc=-0.00198 F(o=-0.55,f=-0.002) USER MOD Single : A 98 ASN : amide:sc= -0.635 X(o=-0.63,f=-0.18) USER MOD Single : A 99 SER OG : rot 93:sc= 0.0216 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.0505 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -113:sc= -0.189 (180deg=-1.09) USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= 1.08 (180deg=0.889) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.831 4.233 -13.037 1.00 0.00 N ATOM 15 CA ARG A 2 8.024 4.434 -11.606 1.00 0.00 C ATOM 16 C ARG A 2 7.413 3.288 -10.808 1.00 0.00 C ATOM 17 O ARG A 2 6.916 2.317 -11.380 1.00 0.00 O ATOM 18 CB ARG A 2 7.410 5.766 -11.166 1.00 0.00 C ATOM 19 CG ARG A 2 5.916 5.873 -11.434 1.00 0.00 C ATOM 20 CD ARG A 2 5.626 6.144 -12.902 1.00 0.00 C ATOM 21 NE ARG A 2 6.498 7.181 -13.451 1.00 0.00 N ATOM 22 CZ ARG A 2 6.291 8.486 -13.291 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.247 8.919 -12.595 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.131 9.361 -13.825 1.00 0.00 N ATOM 0 HA ARG A 2 9.096 4.457 -11.410 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.589 5.903 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.921 6.579 -11.682 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.425 4.948 -11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.494 6.673 -10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.754 5.224 -13.472 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.585 6.448 -13.016 1.00 0.00 H new ATOM 0 HE ARG A 2 7.313 6.887 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.598 8.250 -12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.093 9.920 -12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.936 9.034 -14.359 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.972 10.361 -13.702 1.00 0.00 H new ATOM 38 N LEU A 3 7.451 3.406 -9.483 1.00 0.00 N ATOM 39 CA LEU A 3 6.898 2.379 -8.603 1.00 0.00 C ATOM 40 C LEU A 3 5.507 1.962 -9.066 1.00 0.00 C ATOM 41 O LEU A 3 4.557 2.737 -8.981 1.00 0.00 O ATOM 42 CB LEU A 3 6.835 2.894 -7.164 1.00 0.00 C ATOM 43 CG LEU A 3 7.148 1.853 -6.089 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.591 1.386 -6.203 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.876 2.423 -4.705 1.00 0.00 C ATOM 0 H LEU A 3 7.859 4.203 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 3 7.552 1.508 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.535 3.723 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.838 3.294 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 3 6.498 0.992 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.796 0.645 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.753 0.940 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.260 2.237 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.103 1.670 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.503 3.300 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.827 2.708 -4.629 1.00 0.00 H new ATOM 57 N GLU A 4 5.397 0.738 -9.565 1.00 0.00 N ATOM 58 CA GLU A 4 4.122 0.232 -10.049 1.00 0.00 C ATOM 59 C GLU A 4 4.077 -1.291 -9.987 1.00 0.00 C ATOM 60 O GLU A 4 5.111 -1.953 -9.905 1.00 0.00 O ATOM 61 CB GLU A 4 3.881 0.706 -11.484 1.00 0.00 C ATOM 62 CG GLU A 4 4.701 -0.042 -12.526 1.00 0.00 C ATOM 63 CD GLU A 4 4.550 0.541 -13.917 1.00 0.00 C ATOM 64 OE1 GLU A 4 5.165 1.594 -14.191 1.00 0.00 O ATOM 65 OE2 GLU A 4 3.817 -0.055 -14.734 1.00 0.00 O ATOM 0 H GLU A 4 6.173 0.080 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 4 3.334 0.622 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.823 0.595 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.112 1.769 -11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.752 -0.020 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.396 -1.088 -12.540 1.00 0.00 H new ATOM 72 N GLY A 5 2.868 -1.834 -10.031 1.00 0.00 N ATOM 73 CA GLY A 5 2.695 -3.271 -9.983 1.00 0.00 C ATOM 74 C GLY A 5 1.398 -3.660 -9.314 1.00 0.00 C ATOM 75 O GLY A 5 0.440 -2.887 -9.310 1.00 0.00 O ATOM 0 H GLY A 5 2.001 -1.302 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.716 -3.673 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.530 -3.719 -9.445 1.00 0.00 H new ATOM 79 N TRP A 6 1.360 -4.854 -8.739 1.00 0.00 N ATOM 80 CA TRP A 6 0.164 -5.323 -8.061 1.00 0.00 C ATOM 81 C TRP A 6 0.448 -5.619 -6.598 1.00 0.00 C ATOM 82 O TRP A 6 1.338 -6.404 -6.272 1.00 0.00 O ATOM 83 CB TRP A 6 -0.390 -6.572 -8.739 1.00 0.00 C ATOM 84 CG TRP A 6 -0.576 -6.394 -10.206 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.398 -6.430 -11.150 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.804 -6.142 -10.897 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.140 -6.208 -12.390 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.492 -6.033 -12.265 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.135 -5.998 -10.495 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.463 -5.786 -13.232 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.097 -5.754 -11.457 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.758 -5.650 -12.811 1.00 0.00 C ATOM 0 H TRP A 6 2.140 -5.511 -8.729 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.580 -4.529 -8.120 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.287 -7.408 -8.561 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.346 -6.834 -8.285 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.445 -6.608 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.383 -6.178 -13.265 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.407 -6.076 -9.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.203 -5.705 -14.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.129 -5.642 -11.159 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.534 -5.459 -13.538 1.00 0.00 H new ATOM 103 N LEU A 7 -0.327 -5.002 -5.721 1.00 0.00 N ATOM 104 CA LEU A 7 -0.176 -5.215 -4.292 1.00 0.00 C ATOM 105 C LEU A 7 -1.472 -5.764 -3.731 1.00 0.00 C ATOM 106 O LEU A 7 -2.550 -5.467 -4.239 1.00 0.00 O ATOM 107 CB LEU A 7 0.213 -3.926 -3.583 1.00 0.00 C ATOM 108 CG LEU A 7 1.585 -3.372 -3.968 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.666 -1.890 -3.655 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.687 -4.131 -3.246 1.00 0.00 C ATOM 0 H LEU A 7 -1.068 -4.349 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 7 0.626 -5.934 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.542 -3.169 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.196 -4.100 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 7 1.722 -3.505 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.649 -1.512 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.899 -1.357 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.508 -1.734 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.657 -3.724 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.554 -4.029 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.642 -5.185 -3.519 1.00 0.00 H new ATOM 122 N SER A 8 -1.360 -6.586 -2.707 1.00 0.00 N ATOM 123 CA SER A 8 -2.533 -7.214 -2.112 1.00 0.00 C ATOM 124 C SER A 8 -3.120 -6.378 -0.984 1.00 0.00 C ATOM 125 O SER A 8 -2.397 -5.765 -0.199 1.00 0.00 O ATOM 126 CB SER A 8 -2.177 -8.610 -1.600 1.00 0.00 C ATOM 127 OG SER A 8 -2.638 -9.612 -2.490 1.00 0.00 O ATOM 0 H SER A 8 -0.474 -6.837 -2.268 1.00 0.00 H new ATOM 0 HA SER A 8 -3.292 -7.292 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.097 -8.693 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.618 -8.763 -0.615 1.00 0.00 H new ATOM 0 HG SER A 8 -2.144 -10.443 -2.331 1.00 0.00 H new ATOM 133 N LEU A 9 -4.446 -6.370 -0.915 1.00 0.00 N ATOM 134 CA LEU A 9 -5.165 -5.626 0.108 1.00 0.00 C ATOM 135 C LEU A 9 -6.150 -6.538 0.835 1.00 0.00 C ATOM 136 O LEU A 9 -6.594 -7.545 0.283 1.00 0.00 O ATOM 137 CB LEU A 9 -5.911 -4.449 -0.522 1.00 0.00 C ATOM 138 CG LEU A 9 -5.025 -3.434 -1.249 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.930 -3.772 -2.729 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.563 -2.023 -1.059 1.00 0.00 C ATOM 0 H LEU A 9 -5.049 -6.877 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.443 -5.243 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.644 -4.839 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.466 -3.930 0.260 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.024 -3.482 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.296 -3.040 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.500 -4.766 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.926 -3.752 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.921 -1.315 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.574 -1.962 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.580 -1.780 0.003 1.00 0.00 H new ATOM 152 N PRO A 10 -6.509 -6.200 2.084 1.00 0.00 N ATOM 153 CA PRO A 10 -7.448 -7.002 2.874 1.00 0.00 C ATOM 154 C PRO A 10 -8.837 -7.047 2.244 1.00 0.00 C ATOM 155 O PRO A 10 -9.567 -6.056 2.256 1.00 0.00 O ATOM 156 CB PRO A 10 -7.495 -6.284 4.226 1.00 0.00 C ATOM 157 CG PRO A 10 -7.021 -4.898 3.946 1.00 0.00 C ATOM 158 CD PRO A 10 -6.033 -5.018 2.822 1.00 0.00 C ATOM 0 HA PRO A 10 -7.131 -8.042 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.505 -6.280 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.856 -6.779 4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.852 -4.250 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.556 -4.459 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.026 -4.127 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.017 -5.156 3.191 1.00 0.00 H new ATOM 166 N VAL A 11 -9.194 -8.202 1.692 1.00 0.00 N ATOM 167 CA VAL A 11 -10.493 -8.373 1.055 1.00 0.00 C ATOM 168 C VAL A 11 -11.454 -9.146 1.950 1.00 0.00 C ATOM 169 O VAL A 11 -11.036 -9.822 2.889 1.00 0.00 O ATOM 170 CB VAL A 11 -10.365 -9.101 -0.301 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.069 -10.581 -0.107 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.623 -8.906 -1.134 1.00 0.00 C ATOM 0 H VAL A 11 -8.602 -9.032 1.673 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.892 -7.373 0.885 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.525 -8.663 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.985 -11.066 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.132 -10.696 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.878 -11.043 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.514 -9.426 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.481 -9.309 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.777 -7.843 -1.317 1.00 0.00 H new ATOM 319 N TRP A 20 -6.526 -11.908 0.306 1.00 0.00 N ATOM 320 CA TRP A 20 -5.701 -10.895 -0.340 1.00 0.00 C ATOM 321 C TRP A 20 -6.028 -10.787 -1.823 1.00 0.00 C ATOM 322 O TRP A 20 -6.320 -11.786 -2.482 1.00 0.00 O ATOM 323 CB TRP A 20 -4.217 -11.216 -0.167 1.00 0.00 C ATOM 324 CG TRP A 20 -3.771 -11.235 1.262 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.351 -12.318 1.977 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.697 -10.114 2.151 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.019 -11.940 3.254 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.223 -10.592 3.387 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.984 -8.752 2.020 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -3.031 -9.757 4.484 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.793 -7.924 3.111 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.320 -8.429 4.328 1.00 0.00 C ATOM 0 HA TRP A 20 -5.919 -9.940 0.138 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.009 -12.187 -0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.628 -10.479 -0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.289 -13.326 1.594 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.676 -12.562 3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.348 -8.354 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.667 -10.144 5.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.012 -6.870 3.023 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.180 -7.756 5.161 1.00 0.00 H new ATOM 343 N VAL A 21 -5.965 -9.568 -2.343 1.00 0.00 N ATOM 344 CA VAL A 21 -6.241 -9.317 -3.752 1.00 0.00 C ATOM 345 C VAL A 21 -5.280 -8.268 -4.294 1.00 0.00 C ATOM 346 O VAL A 21 -5.324 -7.108 -3.884 1.00 0.00 O ATOM 347 CB VAL A 21 -7.692 -8.841 -3.968 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.948 -7.544 -3.215 1.00 0.00 C ATOM 349 CG2 VAL A 21 -7.986 -8.675 -5.450 1.00 0.00 C ATOM 0 H VAL A 21 -5.724 -8.734 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.104 -10.256 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.366 -9.601 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.977 -7.225 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.784 -7.704 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.267 -6.773 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.014 -8.339 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.306 -7.937 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.849 -9.630 -5.957 1.00 0.00 H new ATOM 359 N LYS A 22 -4.395 -8.675 -5.200 1.00 0.00 N ATOM 360 CA LYS A 22 -3.424 -7.753 -5.756 1.00 0.00 C ATOM 361 C LYS A 22 -4.057 -6.796 -6.763 1.00 0.00 C ATOM 362 O LYS A 22 -4.476 -7.200 -7.847 1.00 0.00 O ATOM 363 CB LYS A 22 -2.270 -8.514 -6.407 1.00 0.00 C ATOM 364 CG LYS A 22 -2.649 -9.207 -7.701 1.00 0.00 C ATOM 365 CD LYS A 22 -1.528 -10.097 -8.198 1.00 0.00 C ATOM 366 CE LYS A 22 -1.151 -9.743 -9.624 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.448 -10.861 -10.312 1.00 0.00 N ATOM 0 H LYS A 22 -4.334 -9.628 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.037 -7.156 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.453 -7.819 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.894 -9.257 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.548 -9.803 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.887 -8.461 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.658 -9.990 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.837 -11.141 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.050 -9.483 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.511 -8.860 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.209 -10.576 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.424 -11.093 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.067 -11.696 -10.339 1.00 0.00 H new ATOM 381 N LYS A 23 -4.097 -5.520 -6.401 1.00 0.00 N ATOM 382 CA LYS A 23 -4.643 -4.494 -7.274 1.00 0.00 C ATOM 383 C LYS A 23 -3.497 -3.712 -7.898 1.00 0.00 C ATOM 384 O LYS A 23 -2.427 -3.592 -7.302 1.00 0.00 O ATOM 385 CB LYS A 23 -5.564 -3.553 -6.500 1.00 0.00 C ATOM 386 CG LYS A 23 -6.804 -4.235 -5.946 1.00 0.00 C ATOM 387 CD LYS A 23 -7.927 -4.260 -6.971 1.00 0.00 C ATOM 388 CE LYS A 23 -8.868 -3.078 -6.793 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.079 -3.446 -6.009 1.00 0.00 N ATOM 0 H LYS A 23 -3.756 -5.172 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.233 -4.970 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.006 -3.108 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.870 -2.737 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.558 -5.254 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.139 -3.713 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.505 -4.243 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.487 -5.190 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.342 -2.268 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.169 -2.703 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.695 -2.614 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.596 -4.202 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.794 -3.780 -5.066 1.00 0.00 H new ATOM 403 N TYR A 24 -3.709 -3.195 -9.097 1.00 0.00 N ATOM 404 CA TYR A 24 -2.663 -2.447 -9.777 1.00 0.00 C ATOM 405 C TYR A 24 -2.398 -1.110 -9.096 1.00 0.00 C ATOM 406 O TYR A 24 -3.179 -0.168 -9.222 1.00 0.00 O ATOM 407 CB TYR A 24 -3.011 -2.226 -11.247 1.00 0.00 C ATOM 408 CG TYR A 24 -1.794 -2.240 -12.145 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.612 -1.628 -11.746 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.822 -2.871 -13.382 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.507 -1.642 -12.554 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.705 -2.889 -14.196 1.00 0.00 C ATOM 413 CZ TYR A 24 0.457 -2.274 -13.777 1.00 0.00 C ATOM 414 OH TYR A 24 1.570 -2.291 -14.586 1.00 0.00 O ATOM 0 H TYR A 24 -4.584 -3.277 -9.615 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.753 -3.045 -9.720 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.706 -3.001 -11.572 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.525 -1.271 -11.354 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.568 -1.133 -10.787 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.729 -3.354 -13.713 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.417 -1.160 -12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.742 -3.382 -15.156 1.00 0.00 H new ATOM 0 HH TYR A 24 2.126 -1.507 -14.394 1.00 0.00 H new ATOM 424 N VAL A 25 -1.278 -1.039 -8.386 1.00 0.00 N ATOM 425 CA VAL A 25 -0.884 0.179 -7.692 1.00 0.00 C ATOM 426 C VAL A 25 0.306 0.822 -8.388 1.00 0.00 C ATOM 427 O VAL A 25 1.275 0.144 -8.729 1.00 0.00 O ATOM 428 CB VAL A 25 -0.510 -0.096 -6.223 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.377 1.207 -5.452 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.535 -1.010 -5.568 1.00 0.00 C ATOM 0 H VAL A 25 -0.625 -1.815 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.741 0.852 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 25 0.455 -0.603 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.113 0.992 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.402 1.820 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.325 1.745 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.251 -1.191 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.516 -0.537 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.573 -1.958 -6.105 1.00 0.00 H new ATOM 440 N ILE A 26 0.235 2.130 -8.593 1.00 0.00 N ATOM 441 CA ILE A 26 1.319 2.849 -9.247 1.00 0.00 C ATOM 442 C ILE A 26 1.559 4.195 -8.574 1.00 0.00 C ATOM 443 O ILE A 26 0.701 5.077 -8.599 1.00 0.00 O ATOM 444 CB ILE A 26 1.030 3.069 -10.747 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.325 1.847 -11.339 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.321 3.353 -11.504 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.032 2.005 -12.801 1.00 0.00 C ATOM 0 H ILE A 26 -0.556 2.712 -8.318 1.00 0.00 H new ATOM 0 HA ILE A 26 2.214 2.234 -9.153 1.00 0.00 H new ATOM 0 HB ILE A 26 0.373 3.933 -10.848 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.968 0.975 -11.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.584 1.651 -10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.098 3.505 -12.560 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.790 4.250 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.000 2.507 -11.395 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.529 1.101 -13.154 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.700 2.857 -12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.876 2.170 -13.381 1.00 0.00 H new ATOM 459 N VAL A 27 2.733 4.341 -7.968 1.00 0.00 N ATOM 460 CA VAL A 27 3.091 5.574 -7.281 1.00 0.00 C ATOM 461 C VAL A 27 3.707 6.580 -8.246 1.00 0.00 C ATOM 462 O VAL A 27 4.861 6.442 -8.651 1.00 0.00 O ATOM 463 CB VAL A 27 4.087 5.307 -6.137 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.279 6.558 -5.292 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.619 4.141 -5.279 1.00 0.00 C ATOM 0 H VAL A 27 3.453 3.619 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 27 2.171 5.986 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 27 5.049 5.041 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.986 6.350 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.666 7.363 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.322 6.859 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.336 3.969 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.644 4.373 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.541 3.245 -5.894 1.00 0.00 H new ATOM 475 N SER A 28 2.930 7.595 -8.612 1.00 0.00 N ATOM 476 CA SER A 28 3.403 8.624 -9.530 1.00 0.00 C ATOM 477 C SER A 28 4.279 9.640 -8.805 1.00 0.00 C ATOM 478 O SER A 28 4.277 9.711 -7.576 1.00 0.00 O ATOM 479 CB SER A 28 2.218 9.333 -10.189 1.00 0.00 C ATOM 480 OG SER A 28 2.627 10.542 -10.806 1.00 0.00 O ATOM 0 H SER A 28 1.972 7.726 -8.287 1.00 0.00 H new ATOM 0 HA SER A 28 4.002 8.140 -10.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.765 8.677 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.454 9.543 -9.441 1.00 0.00 H new ATOM 0 HG SER A 28 1.853 10.976 -11.221 1.00 0.00 H new ATOM 486 N SER A 29 5.027 10.426 -9.573 1.00 0.00 N ATOM 487 CA SER A 29 5.907 11.440 -9.003 1.00 0.00 C ATOM 488 C SER A 29 5.126 12.394 -8.104 1.00 0.00 C ATOM 489 O SER A 29 4.351 13.221 -8.583 1.00 0.00 O ATOM 490 CB SER A 29 6.605 12.224 -10.116 1.00 0.00 C ATOM 491 OG SER A 29 7.967 12.453 -9.803 1.00 0.00 O ATOM 0 H SER A 29 5.041 10.380 -10.592 1.00 0.00 H new ATOM 0 HA SER A 29 6.660 10.934 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.532 11.673 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.098 13.177 -10.266 1.00 0.00 H new ATOM 0 HG SER A 29 8.390 12.954 -10.531 1.00 0.00 H new ATOM 497 N LYS A 30 5.335 12.271 -6.796 1.00 0.00 N ATOM 498 CA LYS A 30 4.650 13.120 -5.827 1.00 0.00 C ATOM 499 C LYS A 30 3.152 12.829 -5.811 1.00 0.00 C ATOM 500 O LYS A 30 2.341 13.707 -5.516 1.00 0.00 O ATOM 501 CB LYS A 30 4.891 14.598 -6.143 1.00 0.00 C ATOM 502 CG LYS A 30 6.353 14.937 -6.388 1.00 0.00 C ATOM 503 CD LYS A 30 7.097 15.182 -5.084 1.00 0.00 C ATOM 504 CE LYS A 30 7.527 16.634 -4.949 1.00 0.00 C ATOM 505 NZ LYS A 30 7.628 17.053 -3.523 1.00 0.00 N ATOM 0 H LYS A 30 5.974 11.591 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 30 5.057 12.898 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.310 14.872 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.520 15.203 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.830 14.122 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.421 15.824 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.458 14.912 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.974 14.536 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.491 16.774 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.812 17.274 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.924 18.049 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.702 16.944 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.329 16.459 -3.036 1.00 0.00 H new ATOM 519 N LYS A 31 2.789 11.590 -6.131 1.00 0.00 N ATOM 520 CA LYS A 31 1.388 11.184 -6.153 1.00 0.00 C ATOM 521 C LYS A 31 1.258 9.664 -6.126 1.00 0.00 C ATOM 522 O LYS A 31 2.168 8.946 -6.538 1.00 0.00 O ATOM 523 CB LYS A 31 0.695 11.745 -7.396 1.00 0.00 C ATOM 524 CG LYS A 31 -0.792 11.432 -7.456 1.00 0.00 C ATOM 525 CD LYS A 31 -1.491 12.256 -8.526 1.00 0.00 C ATOM 526 CE LYS A 31 -1.654 13.705 -8.095 1.00 0.00 C ATOM 527 NZ LYS A 31 -1.749 14.624 -9.262 1.00 0.00 N ATOM 0 H LYS A 31 3.446 10.850 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 31 0.906 11.585 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.832 12.826 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.179 11.341 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.934 10.371 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.247 11.632 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.918 12.213 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.470 11.826 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.550 13.803 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.808 13.996 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.859 15.602 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.883 14.550 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.571 14.363 -9.843 1.00 0.00 H new ATOM 541 N ILE A 32 0.119 9.182 -5.641 1.00 0.00 N ATOM 542 CA ILE A 32 -0.135 7.748 -5.561 1.00 0.00 C ATOM 543 C ILE A 32 -1.422 7.381 -6.291 1.00 0.00 C ATOM 544 O ILE A 32 -2.490 7.917 -5.993 1.00 0.00 O ATOM 545 CB ILE A 32 -0.233 7.273 -4.099 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.919 7.849 -3.273 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.229 5.752 -4.035 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.885 7.437 -1.818 1.00 0.00 C ATOM 0 H ILE A 32 -0.644 9.764 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 32 0.708 7.249 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.172 7.633 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.865 7.529 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.891 8.937 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.299 5.431 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.080 5.362 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.695 5.372 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.731 7.882 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.045 7.781 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.944 6.351 -1.746 1.00 0.00 H new ATOM 560 N LEU A 33 -1.315 6.469 -7.251 1.00 0.00 N ATOM 561 CA LEU A 33 -2.472 6.036 -8.026 1.00 0.00 C ATOM 562 C LEU A 33 -2.883 4.614 -7.658 1.00 0.00 C ATOM 563 O LEU A 33 -2.043 3.781 -7.317 1.00 0.00 O ATOM 564 CB LEU A 33 -2.166 6.117 -9.522 1.00 0.00 C ATOM 565 CG LEU A 33 -1.917 7.532 -10.056 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.660 7.569 -10.913 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.119 8.021 -10.850 1.00 0.00 C ATOM 0 H LEU A 33 -0.439 6.015 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.301 6.703 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.288 5.506 -9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.998 5.678 -10.072 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.771 8.198 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.501 8.582 -11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.198 7.262 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.775 6.889 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.925 9.027 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.296 7.351 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.999 8.035 -10.207 1.00 0.00 H new ATOM 579 N PHE A 34 -4.182 4.344 -7.734 1.00 0.00 N ATOM 580 CA PHE A 34 -4.713 3.023 -7.415 1.00 0.00 C ATOM 581 C PHE A 34 -5.756 2.600 -8.442 1.00 0.00 C ATOM 582 O PHE A 34 -6.701 3.336 -8.721 1.00 0.00 O ATOM 583 CB PHE A 34 -5.326 3.019 -6.014 1.00 0.00 C ATOM 584 CG PHE A 34 -5.024 1.774 -5.229 1.00 0.00 C ATOM 585 CD1 PHE A 34 -5.681 0.587 -5.509 1.00 0.00 C ATOM 586 CD2 PHE A 34 -4.083 1.792 -4.214 1.00 0.00 C ATOM 587 CE1 PHE A 34 -5.404 -0.560 -4.788 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.802 0.649 -3.489 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.464 -0.529 -3.777 1.00 0.00 C ATOM 0 H PHE A 34 -4.888 5.024 -8.014 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.889 2.309 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.958 3.884 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.407 3.132 -6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.417 0.557 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.562 2.710 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.923 -1.480 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.066 0.677 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.247 -1.424 -3.213 1.00 0.00 H new ATOM 599 N TYR A 35 -5.575 1.410 -9.001 1.00 0.00 N ATOM 600 CA TYR A 35 -6.499 0.886 -10.001 1.00 0.00 C ATOM 601 C TYR A 35 -6.853 -0.566 -9.706 1.00 0.00 C ATOM 602 O TYR A 35 -6.318 -1.171 -8.777 1.00 0.00 O ATOM 603 CB TYR A 35 -5.887 0.999 -11.398 1.00 0.00 C ATOM 604 CG TYR A 35 -5.846 2.412 -11.934 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.853 3.299 -11.536 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.802 2.860 -12.837 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.814 4.591 -12.025 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.769 4.151 -13.330 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.773 5.012 -12.921 1.00 0.00 C ATOM 610 OH TYR A 35 -5.738 6.298 -13.408 1.00 0.00 O ATOM 0 H TYR A 35 -4.797 0.789 -8.779 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.413 1.479 -9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.873 0.600 -11.374 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.458 0.376 -12.086 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.100 2.974 -10.834 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.584 2.188 -13.159 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.035 5.268 -11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.520 4.483 -14.032 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.484 6.433 -14.029 1.00 0.00 H new ATOM 620 N ASP A 36 -7.758 -1.121 -10.505 1.00 0.00 N ATOM 621 CA ASP A 36 -8.186 -2.502 -10.334 1.00 0.00 C ATOM 622 C ASP A 36 -7.665 -3.380 -11.469 1.00 0.00 C ATOM 623 O ASP A 36 -7.499 -4.589 -11.306 1.00 0.00 O ATOM 624 CB ASP A 36 -9.713 -2.582 -10.274 1.00 0.00 C ATOM 625 CG ASP A 36 -10.210 -3.989 -10.010 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.019 -4.484 -8.880 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.790 -4.598 -10.934 1.00 0.00 O ATOM 0 H ASP A 36 -8.209 -0.633 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.772 -2.869 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.078 -1.918 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.130 -2.223 -11.215 1.00 0.00 H new ATOM 632 N SER A 37 -7.407 -2.763 -12.618 1.00 0.00 N ATOM 633 CA SER A 37 -6.904 -3.490 -13.780 1.00 0.00 C ATOM 634 C SER A 37 -6.458 -2.524 -14.873 1.00 0.00 C ATOM 635 O SER A 37 -6.777 -1.335 -14.834 1.00 0.00 O ATOM 636 CB SER A 37 -7.979 -4.436 -14.324 1.00 0.00 C ATOM 637 OG SER A 37 -9.155 -4.388 -13.534 1.00 0.00 O ATOM 0 H SER A 37 -7.537 -1.763 -12.770 1.00 0.00 H new ATOM 0 HA SER A 37 -6.042 -4.077 -13.465 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.218 -4.165 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.593 -5.455 -14.344 1.00 0.00 H new ATOM 0 HG SER A 37 -9.824 -5.000 -13.905 1.00 0.00 H new ATOM 643 N GLU A 38 -5.719 -3.043 -15.848 1.00 0.00 N ATOM 644 CA GLU A 38 -5.228 -2.227 -16.952 1.00 0.00 C ATOM 645 C GLU A 38 -6.384 -1.720 -17.810 1.00 0.00 C ATOM 646 O GLU A 38 -6.301 -0.650 -18.411 1.00 0.00 O ATOM 647 CB GLU A 38 -4.251 -3.030 -17.813 1.00 0.00 C ATOM 648 CG GLU A 38 -2.791 -2.776 -17.474 1.00 0.00 C ATOM 649 CD GLU A 38 -1.860 -3.789 -18.110 1.00 0.00 C ATOM 650 OE1 GLU A 38 -2.013 -4.061 -19.320 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.979 -4.313 -17.397 1.00 0.00 O ATOM 0 H GLU A 38 -5.447 -4.025 -15.896 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.707 -1.367 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.463 -4.092 -17.694 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.419 -2.787 -18.862 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.514 -1.775 -17.805 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.664 -2.800 -16.392 1.00 0.00 H new ATOM 658 N GLN A 39 -7.463 -2.496 -17.862 1.00 0.00 N ATOM 659 CA GLN A 39 -8.635 -2.124 -18.646 1.00 0.00 C ATOM 660 C GLN A 39 -9.212 -0.797 -18.165 1.00 0.00 C ATOM 661 O GLN A 39 -9.546 0.074 -18.969 1.00 0.00 O ATOM 662 CB GLN A 39 -9.701 -3.219 -18.558 1.00 0.00 C ATOM 663 CG GLN A 39 -9.462 -4.377 -19.512 1.00 0.00 C ATOM 664 CD GLN A 39 -9.868 -5.714 -18.919 1.00 0.00 C ATOM 665 OE1 GLN A 39 -10.881 -6.296 -19.307 1.00 0.00 O ATOM 666 NE2 GLN A 39 -9.076 -6.206 -17.974 1.00 0.00 N ATOM 0 H GLN A 39 -7.549 -3.386 -17.371 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.326 -2.010 -19.685 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.735 -3.601 -17.538 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.677 -2.782 -18.767 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.021 -4.207 -20.432 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.406 -4.409 -19.782 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.246 -5.689 -17.684 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.297 -7.101 -17.538 1.00 0.00 H new ATOM 675 N ASP A 40 -9.325 -0.648 -16.849 1.00 0.00 N ATOM 676 CA ASP A 40 -9.860 0.575 -16.262 1.00 0.00 C ATOM 677 C ASP A 40 -8.839 1.704 -16.333 1.00 0.00 C ATOM 678 O ASP A 40 -9.201 2.877 -16.425 1.00 0.00 O ATOM 679 CB ASP A 40 -10.269 0.331 -14.808 1.00 0.00 C ATOM 680 CG ASP A 40 -11.686 -0.195 -14.686 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.978 -1.258 -15.274 1.00 0.00 O ATOM 682 OD2 ASP A 40 -12.505 0.456 -14.004 1.00 0.00 O ATOM 0 H ASP A 40 -9.053 -1.359 -16.169 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.740 0.869 -16.835 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.580 -0.381 -14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.180 1.262 -14.248 1.00 0.00 H new ATOM 687 N LYS A 41 -7.560 1.343 -16.286 1.00 0.00 N ATOM 688 CA LYS A 41 -6.485 2.325 -16.345 1.00 0.00 C ATOM 689 C LYS A 41 -6.527 3.102 -17.657 1.00 0.00 C ATOM 690 O LYS A 41 -6.406 4.326 -17.671 1.00 0.00 O ATOM 691 CB LYS A 41 -5.128 1.637 -16.185 1.00 0.00 C ATOM 692 CG LYS A 41 -4.164 2.397 -15.287 1.00 0.00 C ATOM 693 CD LYS A 41 -3.680 3.679 -15.947 1.00 0.00 C ATOM 694 CE LYS A 41 -2.283 3.517 -16.523 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.257 3.346 -15.457 1.00 0.00 N ATOM 0 H LYS A 41 -7.244 0.376 -16.207 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.625 3.029 -15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.282 0.638 -15.776 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.675 1.513 -17.168 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.655 2.635 -14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.309 1.763 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.371 3.964 -16.740 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.682 4.488 -15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.263 2.653 -17.188 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.036 4.390 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.337 3.687 -15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.535 3.892 -14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.181 2.339 -15.207 1.00 0.00 H new ATOM 709 N GLU A 42 -6.701 2.381 -18.760 1.00 0.00 N ATOM 710 CA GLU A 42 -6.759 3.001 -20.079 1.00 0.00 C ATOM 711 C GLU A 42 -7.917 3.992 -20.162 1.00 0.00 C ATOM 712 O GLU A 42 -7.859 4.967 -20.912 1.00 0.00 O ATOM 713 CB GLU A 42 -6.909 1.932 -21.162 1.00 0.00 C ATOM 714 CG GLU A 42 -5.748 0.950 -21.212 1.00 0.00 C ATOM 715 CD GLU A 42 -5.936 -0.121 -22.267 1.00 0.00 C ATOM 716 OE1 GLU A 42 -5.852 0.208 -23.470 1.00 0.00 O ATOM 717 OE2 GLU A 42 -6.166 -1.290 -21.892 1.00 0.00 O ATOM 0 H GLU A 42 -6.804 1.366 -18.767 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.827 3.543 -20.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.834 1.381 -20.991 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.004 2.420 -22.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.825 1.494 -21.412 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.634 0.478 -20.236 1.00 0.00 H new ATOM 724 N GLN A 43 -8.967 3.736 -19.388 1.00 0.00 N ATOM 725 CA GLN A 43 -10.138 4.606 -19.375 1.00 0.00 C ATOM 726 C GLN A 43 -9.889 5.865 -18.541 1.00 0.00 C ATOM 727 O GLN A 43 -10.739 6.752 -18.477 1.00 0.00 O ATOM 728 CB GLN A 43 -11.352 3.852 -18.829 1.00 0.00 C ATOM 729 CG GLN A 43 -12.286 3.340 -19.913 1.00 0.00 C ATOM 730 CD GLN A 43 -13.531 4.194 -20.061 1.00 0.00 C ATOM 731 OE1 GLN A 43 -14.641 3.748 -19.770 1.00 0.00 O ATOM 732 NE2 GLN A 43 -13.351 5.428 -20.516 1.00 0.00 N ATOM 0 H GLN A 43 -9.031 2.933 -18.762 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.336 4.913 -20.402 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.007 3.009 -18.230 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.909 4.510 -18.162 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.753 3.313 -20.864 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.578 2.316 -19.682 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.412 5.755 -20.745 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.151 6.049 -20.637 1.00 0.00 H new ATOM 741 N SER A 44 -8.722 5.937 -17.904 1.00 0.00 N ATOM 742 CA SER A 44 -8.372 7.089 -17.079 1.00 0.00 C ATOM 743 C SER A 44 -9.310 7.206 -15.882 1.00 0.00 C ATOM 744 O SER A 44 -9.736 8.302 -15.517 1.00 0.00 O ATOM 745 CB SER A 44 -8.420 8.375 -17.909 1.00 0.00 C ATOM 746 OG SER A 44 -7.651 8.248 -19.093 1.00 0.00 O ATOM 0 H SER A 44 -8.005 5.213 -17.944 1.00 0.00 H new ATOM 0 HA SER A 44 -7.357 6.943 -16.710 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.454 8.607 -18.166 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.044 9.209 -17.316 1.00 0.00 H new ATOM 0 HG SER A 44 -7.700 9.082 -19.606 1.00 0.00 H new ATOM 752 N ASN A 45 -9.628 6.068 -15.274 1.00 0.00 N ATOM 753 CA ASN A 45 -10.515 6.040 -14.116 1.00 0.00 C ATOM 754 C ASN A 45 -9.815 5.412 -12.912 1.00 0.00 C ATOM 755 O ASN A 45 -9.920 4.207 -12.681 1.00 0.00 O ATOM 756 CB ASN A 45 -11.794 5.265 -14.445 1.00 0.00 C ATOM 757 CG ASN A 45 -13.046 6.040 -14.090 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.833 5.619 -13.241 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.240 7.182 -14.742 1.00 0.00 N ATOM 0 H ASN A 45 -9.285 5.152 -15.564 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.779 7.067 -13.864 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.807 5.026 -15.508 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.791 4.318 -13.905 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.067 7.747 -14.546 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.562 7.494 -15.438 1.00 0.00 H new ATOM 766 N PRO A 46 -9.087 6.225 -12.126 1.00 0.00 N ATOM 767 CA PRO A 46 -8.368 5.744 -10.943 1.00 0.00 C ATOM 768 C PRO A 46 -9.310 5.363 -9.806 1.00 0.00 C ATOM 769 O PRO A 46 -10.070 6.195 -9.311 1.00 0.00 O ATOM 770 CB PRO A 46 -7.503 6.938 -10.542 1.00 0.00 C ATOM 771 CG PRO A 46 -8.236 8.126 -11.063 1.00 0.00 C ATOM 772 CD PRO A 46 -8.908 7.676 -12.331 1.00 0.00 C ATOM 0 HA PRO A 46 -7.798 4.840 -11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.379 6.992 -9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.505 6.867 -10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.969 8.481 -10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.552 8.953 -11.256 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.862 8.181 -12.482 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.295 7.886 -13.207 1.00 0.00 H new ATOM 780 N TYR A 47 -9.250 4.101 -9.394 1.00 0.00 N ATOM 781 CA TYR A 47 -10.095 3.608 -8.312 1.00 0.00 C ATOM 782 C TYR A 47 -9.850 4.400 -7.032 1.00 0.00 C ATOM 783 O TYR A 47 -10.748 4.557 -6.205 1.00 0.00 O ATOM 784 CB TYR A 47 -9.829 2.122 -8.067 1.00 0.00 C ATOM 785 CG TYR A 47 -10.719 1.513 -7.008 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.065 1.274 -7.258 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.215 1.177 -5.757 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.882 0.718 -6.293 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.026 0.619 -4.788 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.358 0.391 -5.061 1.00 0.00 C ATOM 791 OH TYR A 47 -13.169 -0.162 -4.097 1.00 0.00 O ATOM 0 H TYR A 47 -8.625 3.401 -9.793 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.137 3.738 -8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.967 1.578 -9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.788 1.992 -7.773 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.479 1.527 -8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.172 1.355 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.926 0.540 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.619 0.363 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.644 -0.334 -3.287 1.00 0.00 H new ATOM 801 N MET A 48 -8.627 4.897 -6.877 1.00 0.00 N ATOM 802 CA MET A 48 -8.259 5.674 -5.700 1.00 0.00 C ATOM 803 C MET A 48 -6.881 6.303 -5.876 1.00 0.00 C ATOM 804 O MET A 48 -5.955 5.660 -6.369 1.00 0.00 O ATOM 805 CB MET A 48 -8.276 4.789 -4.453 1.00 0.00 C ATOM 806 CG MET A 48 -8.351 5.572 -3.152 1.00 0.00 C ATOM 807 SD MET A 48 -7.744 4.630 -1.739 1.00 0.00 S ATOM 808 CE MET A 48 -6.094 4.212 -2.296 1.00 0.00 C ATOM 0 H MET A 48 -7.873 4.775 -7.553 1.00 0.00 H new ATOM 0 HA MET A 48 -8.990 6.473 -5.577 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.129 4.112 -4.510 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.378 4.171 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.769 6.488 -3.250 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.384 5.868 -2.970 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.035 3.140 -2.487 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.871 4.757 -3.213 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.371 4.484 -1.527 1.00 0.00 H new ATOM 818 N VAL A 49 -6.751 7.562 -5.474 1.00 0.00 N ATOM 819 CA VAL A 49 -5.485 8.274 -5.593 1.00 0.00 C ATOM 820 C VAL A 49 -5.121 8.976 -4.287 1.00 0.00 C ATOM 821 O VAL A 49 -5.935 9.702 -3.713 1.00 0.00 O ATOM 822 CB VAL A 49 -5.529 9.311 -6.732 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.581 10.374 -6.452 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.160 9.945 -6.936 1.00 0.00 C ATOM 0 H VAL A 49 -7.507 8.110 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.723 7.529 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.805 8.796 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.595 11.096 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.560 9.903 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.342 10.886 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.213 10.674 -7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.850 10.444 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.435 9.172 -7.192 1.00 0.00 H new ATOM 834 N LEU A 50 -3.894 8.759 -3.827 1.00 0.00 N ATOM 835 CA LEU A 50 -3.418 9.373 -2.593 1.00 0.00 C ATOM 836 C LEU A 50 -2.260 10.323 -2.874 1.00 0.00 C ATOM 837 O LEU A 50 -1.544 10.169 -3.864 1.00 0.00 O ATOM 838 CB LEU A 50 -2.978 8.299 -1.595 1.00 0.00 C ATOM 839 CG LEU A 50 -3.826 7.022 -1.594 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.044 5.859 -2.184 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.293 6.692 -0.184 1.00 0.00 C ATOM 0 H LEU A 50 -3.210 8.161 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.241 9.943 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.944 8.029 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.995 8.728 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.705 7.194 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.663 4.962 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.761 6.094 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.146 5.686 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.893 5.783 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.427 6.541 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.894 7.515 0.202 1.00 0.00 H new ATOM 853 N ASP A 51 -2.079 11.305 -1.998 1.00 0.00 N ATOM 854 CA ASP A 51 -1.005 12.278 -2.154 1.00 0.00 C ATOM 855 C ASP A 51 0.209 11.887 -1.318 1.00 0.00 C ATOM 856 O ASP A 51 0.116 11.751 -0.098 1.00 0.00 O ATOM 857 CB ASP A 51 -1.489 13.673 -1.752 1.00 0.00 C ATOM 858 CG ASP A 51 -2.816 14.031 -2.391 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.086 13.547 -3.510 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.586 14.794 -1.772 1.00 0.00 O ATOM 0 H ASP A 51 -2.662 11.448 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.711 12.292 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.586 13.722 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.740 14.411 -2.039 1.00 0.00 H new ATOM 865 N ILE A 52 1.347 11.706 -1.981 1.00 0.00 N ATOM 866 CA ILE A 52 2.579 11.330 -1.299 1.00 0.00 C ATOM 867 C ILE A 52 2.921 12.327 -0.195 1.00 0.00 C ATOM 868 O ILE A 52 3.377 11.945 0.883 1.00 0.00 O ATOM 869 CB ILE A 52 3.762 11.237 -2.286 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.436 10.246 -3.408 1.00 0.00 C ATOM 871 CG2 ILE A 52 5.038 10.828 -1.560 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.593 9.988 -4.350 1.00 0.00 C ATOM 0 H ILE A 52 1.441 11.814 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 52 2.411 10.348 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 52 3.925 12.220 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.122 9.301 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.590 10.626 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.860 10.768 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.275 11.568 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.894 9.855 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.286 9.277 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.894 10.923 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.433 9.578 -3.790 1.00 0.00 H new ATOM 884 N ASP A 53 2.695 13.606 -0.471 1.00 0.00 N ATOM 885 CA ASP A 53 2.977 14.658 0.497 1.00 0.00 C ATOM 886 C ASP A 53 2.067 14.537 1.718 1.00 0.00 C ATOM 887 O ASP A 53 2.409 14.999 2.806 1.00 0.00 O ATOM 888 CB ASP A 53 2.803 16.033 -0.151 1.00 0.00 C ATOM 889 CG ASP A 53 3.112 17.170 0.803 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.387 17.313 1.809 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.080 17.915 0.544 1.00 0.00 O ATOM 0 H ASP A 53 2.317 13.939 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 53 4.010 14.546 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.456 16.106 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.779 16.134 -0.511 1.00 0.00 H new ATOM 896 N LYS A 54 0.907 13.913 1.529 1.00 0.00 N ATOM 897 CA LYS A 54 -0.049 13.735 2.617 1.00 0.00 C ATOM 898 C LYS A 54 0.368 12.591 3.539 1.00 0.00 C ATOM 899 O LYS A 54 -0.051 12.531 4.694 1.00 0.00 O ATOM 900 CB LYS A 54 -1.447 13.465 2.056 1.00 0.00 C ATOM 901 CG LYS A 54 -2.252 14.728 1.796 1.00 0.00 C ATOM 902 CD LYS A 54 -3.718 14.538 2.151 1.00 0.00 C ATOM 903 CE LYS A 54 -4.573 15.672 1.611 1.00 0.00 C ATOM 904 NZ LYS A 54 -4.904 16.669 2.666 1.00 0.00 N ATOM 0 H LYS A 54 0.607 13.523 0.635 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.066 14.656 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.354 12.905 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.994 12.833 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.839 15.551 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.164 15.007 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.072 13.590 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.827 14.483 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.046 16.168 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.494 15.265 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.488 17.426 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.429 16.202 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.026 17.076 3.046 1.00 0.00 H new ATOM 918 N LEU A 55 1.195 11.684 3.023 1.00 0.00 N ATOM 919 CA LEU A 55 1.664 10.544 3.809 1.00 0.00 C ATOM 920 C LEU A 55 2.286 11.003 5.123 1.00 0.00 C ATOM 921 O LEU A 55 3.010 11.997 5.166 1.00 0.00 O ATOM 922 CB LEU A 55 2.686 9.728 3.013 1.00 0.00 C ATOM 923 CG LEU A 55 2.151 9.050 1.748 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.147 8.021 1.237 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.802 8.400 2.013 1.00 0.00 C ATOM 0 H LEU A 55 1.553 11.715 2.068 1.00 0.00 H new ATOM 0 HA LEU A 55 0.801 9.917 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.509 10.385 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.101 8.961 3.667 1.00 0.00 H new ATOM 0 HG LEU A 55 2.016 9.813 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.752 7.548 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.091 8.513 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.312 7.263 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.442 7.925 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.907 7.649 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.089 9.160 2.333 1.00 0.00 H new ATOM 937 N PHE A 56 2.000 10.269 6.193 1.00 0.00 N ATOM 938 CA PHE A 56 2.534 10.596 7.509 1.00 0.00 C ATOM 939 C PHE A 56 3.662 9.644 7.886 1.00 0.00 C ATOM 940 O PHE A 56 4.614 10.030 8.565 1.00 0.00 O ATOM 941 CB PHE A 56 1.429 10.536 8.565 1.00 0.00 C ATOM 942 CG PHE A 56 0.611 11.793 8.657 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.223 13.037 8.650 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.770 11.731 8.750 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.473 14.195 8.734 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.525 12.884 8.835 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.903 14.118 8.828 1.00 0.00 C ATOM 0 H PHE A 56 1.401 9.444 6.174 1.00 0.00 H new ATOM 0 HA PHE A 56 2.932 11.610 7.469 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.768 9.699 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.879 10.334 9.537 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.299 13.102 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.262 10.769 8.756 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.962 15.158 8.726 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.601 12.821 8.907 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.492 15.021 8.896 1.00 0.00 H new ATOM 957 N HIS A 57 3.550 8.395 7.442 1.00 0.00 N ATOM 958 CA HIS A 57 4.564 7.389 7.736 1.00 0.00 C ATOM 959 C HIS A 57 4.235 6.061 7.058 1.00 0.00 C ATOM 960 O HIS A 57 3.083 5.628 7.041 1.00 0.00 O ATOM 961 CB HIS A 57 4.685 7.186 9.248 1.00 0.00 C ATOM 962 CG HIS A 57 6.096 7.219 9.745 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.690 6.159 10.400 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.036 8.192 9.682 1.00 0.00 C ATOM 965 CE1 HIS A 57 7.931 6.480 10.718 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.166 7.707 10.293 1.00 0.00 N ATOM 0 H HIS A 57 2.769 8.057 6.879 1.00 0.00 H new ATOM 0 HA HIS A 57 5.516 7.747 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.111 7.960 9.757 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.237 6.229 9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.919 9.168 9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.634 5.846 11.238 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.045 8.213 10.401 1.00 0.00 H new ATOM 975 N VAL A 58 5.260 5.418 6.507 1.00 0.00 N ATOM 976 CA VAL A 58 5.091 4.136 5.832 1.00 0.00 C ATOM 977 C VAL A 58 6.232 3.187 6.188 1.00 0.00 C ATOM 978 O VAL A 58 7.406 3.527 6.038 1.00 0.00 O ATOM 979 CB VAL A 58 5.026 4.307 4.300 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.205 5.128 3.800 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.976 2.952 3.606 1.00 0.00 C ATOM 0 H VAL A 58 6.219 5.765 6.515 1.00 0.00 H new ATOM 0 HA VAL A 58 4.146 3.713 6.174 1.00 0.00 H new ATOM 0 HB VAL A 58 4.110 4.845 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.140 5.237 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.186 6.114 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.136 4.623 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.931 3.097 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.870 2.381 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.092 2.407 3.936 1.00 0.00 H new ATOM 991 N ARG A 59 5.881 1.995 6.662 1.00 0.00 N ATOM 992 CA ARG A 59 6.880 1.001 7.040 1.00 0.00 C ATOM 993 C ARG A 59 6.257 -0.390 7.137 1.00 0.00 C ATOM 994 O ARG A 59 5.049 -0.526 7.330 1.00 0.00 O ATOM 995 CB ARG A 59 7.521 1.379 8.376 1.00 0.00 C ATOM 996 CG ARG A 59 6.513 1.665 9.476 1.00 0.00 C ATOM 997 CD ARG A 59 7.141 1.534 10.855 1.00 0.00 C ATOM 998 NE ARG A 59 6.135 1.458 11.911 1.00 0.00 N ATOM 999 CZ ARG A 59 5.404 0.375 12.162 1.00 0.00 C ATOM 1000 NH1 ARG A 59 5.566 -0.725 11.437 1.00 0.00 N ATOM 1001 NH2 ARG A 59 4.509 0.390 13.140 1.00 0.00 N ATOM 0 H ARG A 59 4.915 1.695 6.793 1.00 0.00 H new ATOM 0 HA ARG A 59 7.648 0.981 6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.176 0.569 8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.148 2.259 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.113 2.671 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.674 0.975 9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.766 0.641 10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.795 2.387 11.038 1.00 0.00 H new ATOM 0 HE ARG A 59 5.984 2.284 12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.253 -0.743 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.003 -1.553 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.380 1.232 13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.949 -0.441 13.332 1.00 0.00 H new ATOM 1015 N PRO A 60 7.079 -1.447 7.008 1.00 0.00 N ATOM 1016 CA PRO A 60 6.606 -2.832 7.086 1.00 0.00 C ATOM 1017 C PRO A 60 5.838 -3.110 8.374 1.00 0.00 C ATOM 1018 O PRO A 60 6.170 -2.575 9.433 1.00 0.00 O ATOM 1019 CB PRO A 60 7.893 -3.671 7.037 1.00 0.00 C ATOM 1020 CG PRO A 60 9.006 -2.708 7.293 1.00 0.00 C ATOM 1021 CD PRO A 60 8.529 -1.380 6.780 1.00 0.00 C ATOM 0 HA PRO A 60 5.909 -3.062 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.876 -4.460 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.009 -4.156 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.239 -2.655 8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.917 -3.020 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.986 -0.550 7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.767 -1.244 5.725 1.00 0.00 H new ATOM 1029 N VAL A 61 4.813 -3.950 8.279 1.00 0.00 N ATOM 1030 CA VAL A 61 4.002 -4.298 9.439 1.00 0.00 C ATOM 1031 C VAL A 61 4.503 -5.580 10.096 1.00 0.00 C ATOM 1032 O VAL A 61 5.263 -6.339 9.496 1.00 0.00 O ATOM 1033 CB VAL A 61 2.518 -4.471 9.058 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.962 -3.180 8.475 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.342 -5.625 8.081 1.00 0.00 C ATOM 0 H VAL A 61 4.525 -4.402 7.411 1.00 0.00 H new ATOM 0 HA VAL A 61 4.092 -3.473 10.146 1.00 0.00 H new ATOM 0 HB VAL A 61 1.958 -4.707 9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.914 -3.321 8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.047 -2.382 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.527 -2.911 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.287 -5.728 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.916 -5.426 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.697 -6.548 8.540 1.00 0.00 H new ATOM 1045 N THR A 62 4.072 -5.813 11.331 1.00 0.00 N ATOM 1046 CA THR A 62 4.477 -7.004 12.070 1.00 0.00 C ATOM 1047 C THR A 62 3.302 -7.958 12.248 1.00 0.00 C ATOM 1048 O THR A 62 2.205 -7.709 11.748 1.00 0.00 O ATOM 1049 CB THR A 62 5.045 -6.614 13.435 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.082 -5.907 14.195 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.283 -5.749 13.343 1.00 0.00 C ATOM 0 H THR A 62 3.443 -5.193 11.841 1.00 0.00 H new ATOM 0 HA THR A 62 5.251 -7.513 11.495 1.00 0.00 H new ATOM 0 HB THR A 62 5.314 -7.555 13.915 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.483 -5.612 15.039 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.634 -5.509 14.346 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.063 -6.287 12.804 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.044 -4.828 12.812 1.00 0.00 H new ATOM 1059 N GLN A 63 3.538 -9.053 12.964 1.00 0.00 N ATOM 1060 CA GLN A 63 2.497 -10.045 13.208 1.00 0.00 C ATOM 1061 C GLN A 63 1.363 -9.462 14.051 1.00 0.00 C ATOM 1062 O GLN A 63 0.275 -10.032 14.115 1.00 0.00 O ATOM 1063 CB GLN A 63 3.085 -11.272 13.905 1.00 0.00 C ATOM 1064 CG GLN A 63 2.174 -12.488 13.865 1.00 0.00 C ATOM 1065 CD GLN A 63 2.400 -13.345 12.634 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.537 -13.568 12.220 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.315 -13.831 12.044 1.00 0.00 N ATOM 0 H GLN A 63 4.440 -9.276 13.385 1.00 0.00 H new ATOM 0 HA GLN A 63 2.087 -10.343 12.243 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.036 -11.525 13.436 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.298 -11.022 14.944 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.339 -13.091 14.758 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.135 -12.160 13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.391 -13.620 12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.405 -14.415 11.213 1.00 0.00 H new ATOM 1076 N THR A 64 1.623 -8.329 14.697 1.00 0.00 N ATOM 1077 CA THR A 64 0.618 -7.680 15.533 1.00 0.00 C ATOM 1078 C THR A 64 -0.384 -6.905 14.683 1.00 0.00 C ATOM 1079 O THR A 64 -1.532 -6.712 15.082 1.00 0.00 O ATOM 1080 CB THR A 64 1.289 -6.739 16.534 1.00 0.00 C ATOM 1081 OG1 THR A 64 2.044 -5.746 15.862 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.218 -7.451 17.495 1.00 0.00 C ATOM 0 H THR A 64 2.519 -7.842 14.658 1.00 0.00 H new ATOM 0 HA THR A 64 0.080 -8.456 16.077 1.00 0.00 H new ATOM 0 HB THR A 64 0.473 -6.295 17.104 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.785 -6.169 15.380 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.661 -6.726 18.178 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.655 -8.190 18.066 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.008 -7.951 16.934 1.00 0.00 H new ATOM 1090 N ASP A 65 0.057 -6.460 13.510 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.802 -5.703 12.606 1.00 0.00 C ATOM 1092 C ASP A 65 -1.889 -6.592 12.007 1.00 0.00 C ATOM 1093 O ASP A 65 -2.966 -6.114 11.646 1.00 0.00 O ATOM 1094 CB ASP A 65 0.029 -5.070 11.489 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.391 -3.644 11.192 1.00 0.00 C ATOM 1096 OD1 ASP A 65 0.011 -2.737 11.950 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -1.122 -3.436 10.200 1.00 0.00 O ATOM 0 H ASP A 65 1.004 -6.611 13.163 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.284 -4.914 13.183 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.082 -5.084 11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.067 -5.670 10.584 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.602 -7.885 11.901 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.553 -8.836 11.343 1.00 0.00 C ATOM 1104 C VAL A 66 -2.677 -10.070 12.230 1.00 0.00 C ATOM 1105 O VAL A 66 -2.033 -10.166 13.272 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.145 -9.277 9.923 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.594 -8.251 8.896 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.642 -9.503 9.841 1.00 0.00 C ATOM 0 H VAL A 66 -0.717 -8.298 12.195 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.516 -8.327 11.292 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.642 -10.221 9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.297 -8.579 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.678 -8.147 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.129 -7.290 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.375 -9.814 8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.121 -8.577 10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.352 -10.280 10.548 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.510 -11.010 11.804 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.722 -12.243 12.552 1.00 0.00 C ATOM 1120 C TYR A 67 -3.963 -13.413 11.604 1.00 0.00 C ATOM 1121 O TYR A 67 -3.353 -14.472 11.743 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.905 -12.089 13.509 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.155 -11.549 12.852 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.199 -10.251 12.358 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.294 -12.337 12.728 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.341 -9.753 11.759 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.438 -11.846 12.130 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.457 -10.554 11.647 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.596 -10.062 11.052 1.00 0.00 O ATOM 0 H TYR A 67 -4.051 -10.942 10.942 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.823 -12.448 13.134 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.129 -13.059 13.954 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.617 -11.424 14.323 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.326 -9.621 12.443 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.284 -13.349 13.105 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.359 -8.742 11.381 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.314 -12.471 12.041 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.290 -10.754 11.052 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.850 -13.208 10.636 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.165 -14.242 9.658 1.00 0.00 C ATOM 1141 C ARG A 68 -4.005 -14.434 8.684 1.00 0.00 C ATOM 1142 O ARG A 68 -3.846 -15.504 8.096 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.437 -13.878 8.891 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.400 -12.490 8.273 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.239 -11.501 9.067 1.00 0.00 C ATOM 1146 NE ARG A 68 -8.008 -10.612 8.200 1.00 0.00 N ATOM 1147 CZ ARG A 68 -7.500 -9.535 7.603 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -6.225 -9.212 7.774 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -8.271 -8.781 6.832 1.00 0.00 N ATOM 0 H ARG A 68 -5.363 -12.336 10.508 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.329 -15.178 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.599 -14.613 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.290 -13.943 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.369 -12.139 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.766 -12.538 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.919 -12.047 9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.588 -10.907 9.708 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.992 -10.829 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.627 -9.790 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.842 -8.386 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.252 -9.026 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.883 -7.956 6.374 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.198 -13.390 8.519 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.052 -13.440 7.620 1.00 0.00 C ATOM 1165 C ALA A 69 -1.109 -14.580 7.992 1.00 0.00 C ATOM 1166 O ALA A 69 -1.456 -15.449 8.792 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.313 -12.109 7.642 1.00 0.00 C ATOM 0 H ALA A 69 -3.318 -12.497 8.998 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.418 -13.626 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.458 -12.156 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.986 -11.314 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.965 -11.903 8.654 1.00 0.00 H new ATOM 1173 N ASP A 70 0.084 -14.570 7.408 1.00 0.00 N ATOM 1174 CA ASP A 70 1.077 -15.604 7.679 1.00 0.00 C ATOM 1175 C ASP A 70 2.417 -14.983 8.057 1.00 0.00 C ATOM 1176 O ASP A 70 2.811 -13.953 7.510 1.00 0.00 O ATOM 1177 CB ASP A 70 1.247 -16.510 6.459 1.00 0.00 C ATOM 1178 CG ASP A 70 1.533 -17.949 6.843 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.172 -18.167 7.894 1.00 0.00 O ATOM 1180 OD2 ASP A 70 1.118 -18.857 6.092 1.00 0.00 O ATOM 0 H ASP A 70 0.387 -13.858 6.744 1.00 0.00 H new ATOM 0 HA ASP A 70 0.724 -16.202 8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.342 -16.472 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.062 -16.133 5.841 1.00 0.00 H new ATOM 1185 N ALA A 71 3.115 -15.617 8.996 1.00 0.00 N ATOM 1186 CA ALA A 71 4.412 -15.128 9.454 1.00 0.00 C ATOM 1187 C ALA A 71 5.334 -14.810 8.279 1.00 0.00 C ATOM 1188 O ALA A 71 6.204 -13.944 8.377 1.00 0.00 O ATOM 1189 CB ALA A 71 5.063 -16.150 10.374 1.00 0.00 C ATOM 0 H ALA A 71 2.803 -16.473 9.455 1.00 0.00 H new ATOM 0 HA ALA A 71 4.246 -14.204 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.030 -15.774 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.421 -16.323 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.205 -17.087 9.835 1.00 0.00 H new ATOM 1195 N LYS A 72 5.137 -15.515 7.170 1.00 0.00 N ATOM 1196 CA LYS A 72 5.951 -15.304 5.978 1.00 0.00 C ATOM 1197 C LYS A 72 5.485 -14.068 5.214 1.00 0.00 C ATOM 1198 O LYS A 72 6.280 -13.398 4.554 1.00 0.00 O ATOM 1199 CB LYS A 72 5.889 -16.534 5.070 1.00 0.00 C ATOM 1200 CG LYS A 72 6.343 -17.815 5.749 1.00 0.00 C ATOM 1201 CD LYS A 72 6.629 -18.912 4.736 1.00 0.00 C ATOM 1202 CE LYS A 72 6.180 -20.272 5.245 1.00 0.00 C ATOM 1203 NZ LYS A 72 5.529 -21.078 4.175 1.00 0.00 N ATOM 0 H LYS A 72 4.422 -16.236 7.072 1.00 0.00 H new ATOM 0 HA LYS A 72 6.982 -15.146 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.866 -16.663 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.510 -16.358 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.240 -17.618 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.574 -18.152 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.118 -18.686 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.697 -18.938 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.040 -20.815 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.484 -20.138 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.237 -21.998 4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.693 -20.572 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.201 -21.228 3.396 1.00 0.00 H new ATOM 1217 N GLU A 73 4.192 -13.773 5.306 1.00 0.00 N ATOM 1218 CA GLU A 73 3.619 -12.619 4.624 1.00 0.00 C ATOM 1219 C GLU A 73 3.893 -11.328 5.390 1.00 0.00 C ATOM 1220 O GLU A 73 4.022 -10.258 4.795 1.00 0.00 O ATOM 1221 CB GLU A 73 2.112 -12.805 4.443 1.00 0.00 C ATOM 1222 CG GLU A 73 1.730 -14.167 3.887 1.00 0.00 C ATOM 1223 CD GLU A 73 1.851 -14.234 2.377 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.148 -13.463 1.690 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.650 -15.057 1.882 1.00 0.00 O ATOM 0 H GLU A 73 3.521 -14.318 5.847 1.00 0.00 H new ATOM 0 HA GLU A 73 4.093 -12.542 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.619 -12.663 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.736 -12.030 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.368 -14.930 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.705 -14.399 4.177 1.00 0.00 H new ATOM 1232 N ILE A 74 3.979 -11.432 6.715 1.00 0.00 N ATOM 1233 CA ILE A 74 4.233 -10.270 7.564 1.00 0.00 C ATOM 1234 C ILE A 74 5.368 -9.402 7.014 1.00 0.00 C ATOM 1235 O ILE A 74 5.200 -8.194 6.841 1.00 0.00 O ATOM 1236 CB ILE A 74 4.568 -10.685 9.012 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.504 -11.640 9.560 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.686 -9.455 9.901 1.00 0.00 C ATOM 1239 CD1 ILE A 74 2.085 -11.136 9.391 1.00 0.00 C ATOM 0 H ILE A 74 3.876 -12.310 7.224 1.00 0.00 H new ATOM 0 HA ILE A 74 3.312 -9.687 7.566 1.00 0.00 H new ATOM 0 HB ILE A 74 5.526 -11.205 9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.600 -12.603 9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.695 -11.812 10.619 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.923 -9.763 10.919 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.479 -8.808 9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.741 -8.911 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.388 -11.866 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.970 -10.188 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.874 -10.991 8.331 1.00 0.00 H new ATOM 1251 N PRO A 75 6.542 -9.999 6.732 1.00 0.00 N ATOM 1252 CA PRO A 75 7.691 -9.253 6.202 1.00 0.00 C ATOM 1253 C PRO A 75 7.454 -8.733 4.787 1.00 0.00 C ATOM 1254 O PRO A 75 8.230 -7.923 4.280 1.00 0.00 O ATOM 1255 CB PRO A 75 8.822 -10.286 6.208 1.00 0.00 C ATOM 1256 CG PRO A 75 8.133 -11.605 6.145 1.00 0.00 C ATOM 1257 CD PRO A 75 6.848 -11.432 6.904 1.00 0.00 C ATOM 0 HA PRO A 75 7.901 -8.364 6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.489 -10.147 5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.431 -10.200 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.941 -11.897 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.747 -12.389 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.056 -12.063 6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.963 -11.695 7.955 1.00 0.00 H new ATOM 1265 N ARG A 76 6.382 -9.200 4.150 1.00 0.00 N ATOM 1266 CA ARG A 76 6.059 -8.774 2.792 1.00 0.00 C ATOM 1267 C ARG A 76 4.883 -7.797 2.775 1.00 0.00 C ATOM 1268 O ARG A 76 4.379 -7.443 1.710 1.00 0.00 O ATOM 1269 CB ARG A 76 5.734 -9.989 1.921 1.00 0.00 C ATOM 1270 CG ARG A 76 6.795 -11.077 1.970 1.00 0.00 C ATOM 1271 CD ARG A 76 6.724 -11.979 0.750 1.00 0.00 C ATOM 1272 NE ARG A 76 5.931 -13.180 1.001 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.390 -14.251 1.643 1.00 0.00 C ATOM 1274 NH1 ARG A 76 7.636 -14.276 2.100 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.602 -15.302 1.828 1.00 0.00 N ATOM 0 H ARG A 76 5.726 -9.870 4.551 1.00 0.00 H new ATOM 0 HA ARG A 76 6.932 -8.260 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.780 -10.409 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.609 -9.662 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.783 -10.621 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.665 -11.674 2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.291 -11.427 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.733 -12.266 0.453 1.00 0.00 H new ATOM 0 HE ARG A 76 4.968 -13.198 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.247 -13.471 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.983 -15.100 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.644 -15.289 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.954 -16.123 2.320 1.00 0.00 H new ATOM 1289 N ILE A 77 4.448 -7.361 3.955 1.00 0.00 N ATOM 1290 CA ILE A 77 3.332 -6.427 4.058 1.00 0.00 C ATOM 1291 C ILE A 77 3.776 -5.105 4.679 1.00 0.00 C ATOM 1292 O ILE A 77 4.414 -5.085 5.731 1.00 0.00 O ATOM 1293 CB ILE A 77 2.181 -7.023 4.895 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.704 -8.338 4.277 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.027 -6.035 5.004 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.990 -9.246 5.256 1.00 0.00 C ATOM 0 H ILE A 77 4.851 -7.639 4.850 1.00 0.00 H new ATOM 0 HA ILE A 77 2.975 -6.242 3.045 1.00 0.00 H new ATOM 0 HB ILE A 77 2.553 -7.224 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.035 -8.117 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.562 -8.867 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.226 -6.475 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.375 -5.121 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.653 -5.801 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.681 -10.159 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.663 -9.498 6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.112 -8.736 5.651 1.00 0.00 H new ATOM 1308 N PHE A 78 3.427 -4.003 4.022 1.00 0.00 N ATOM 1309 CA PHE A 78 3.785 -2.676 4.512 1.00 0.00 C ATOM 1310 C PHE A 78 2.552 -1.784 4.616 1.00 0.00 C ATOM 1311 O PHE A 78 1.627 -1.889 3.811 1.00 0.00 O ATOM 1312 CB PHE A 78 4.827 -2.028 3.597 1.00 0.00 C ATOM 1313 CG PHE A 78 4.461 -2.058 2.139 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.722 -3.179 1.368 1.00 0.00 C ATOM 1315 CD2 PHE A 78 3.860 -0.962 1.541 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.391 -3.206 0.026 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.528 -0.983 0.201 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.794 -2.106 -0.559 1.00 0.00 C ATOM 0 H PHE A 78 2.897 -4.002 3.150 1.00 0.00 H new ATOM 0 HA PHE A 78 4.214 -2.790 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.972 -0.992 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.781 -2.537 3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.189 -4.041 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.649 -0.081 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.599 -4.086 -0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.060 -0.122 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.536 -2.124 -1.608 1.00 0.00 H new ATOM 1328 N GLN A 79 2.543 -0.912 5.620 1.00 0.00 N ATOM 1329 CA GLN A 79 1.422 -0.005 5.840 1.00 0.00 C ATOM 1330 C GLN A 79 1.814 1.438 5.533 1.00 0.00 C ATOM 1331 O GLN A 79 2.926 1.869 5.840 1.00 0.00 O ATOM 1332 CB GLN A 79 0.930 -0.117 7.284 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.215 0.826 7.615 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.550 0.839 9.093 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.350 1.843 9.778 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.063 -0.279 9.594 1.00 0.00 N ATOM 0 H GLN A 79 3.301 -0.815 6.295 1.00 0.00 H new ATOM 0 HA GLN A 79 0.617 -0.291 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.610 -1.142 7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.762 0.085 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.047 1.835 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.099 0.532 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.212 -1.087 8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.308 -0.329 10.583 1.00 0.00 H new ATOM 1345 N ILE A 80 0.890 2.180 4.926 1.00 0.00 N ATOM 1346 CA ILE A 80 1.134 3.575 4.576 1.00 0.00 C ATOM 1347 C ILE A 80 0.028 4.479 5.112 1.00 0.00 C ATOM 1348 O ILE A 80 -1.110 4.415 4.652 1.00 0.00 O ATOM 1349 CB ILE A 80 1.225 3.764 3.048 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.087 2.666 2.421 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.780 5.140 2.717 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.284 1.610 1.693 1.00 0.00 C ATOM 0 H ILE A 80 -0.035 1.837 4.667 1.00 0.00 H new ATOM 0 HA ILE A 80 2.085 3.850 5.032 1.00 0.00 H new ATOM 0 HB ILE A 80 0.222 3.689 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.790 3.121 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.677 2.188 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.838 5.258 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.124 5.906 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.776 5.244 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.959 0.864 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.599 1.128 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.714 2.076 0.889 1.00 0.00 H new ATOM 1364 N LEU A 81 0.369 5.325 6.083 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.605 6.243 6.667 1.00 0.00 C ATOM 1366 C LEU A 81 -0.675 7.542 5.872 1.00 0.00 C ATOM 1367 O LEU A 81 0.348 8.082 5.451 1.00 0.00 O ATOM 1368 CB LEU A 81 -0.257 6.546 8.130 1.00 0.00 C ATOM 1369 CG LEU A 81 -1.026 7.719 8.753 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.521 7.435 8.775 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.517 8.006 10.158 1.00 0.00 C ATOM 0 H LEU A 81 1.306 5.393 6.479 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.581 5.759 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.445 5.652 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.811 6.755 8.197 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.856 8.602 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.045 8.280 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.878 7.283 7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.712 6.538 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.074 8.841 10.583 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.654 7.123 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.542 8.260 10.116 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.891 8.037 5.676 1.00 0.00 N ATOM 1384 CA TYR A 82 -2.105 9.277 4.937 1.00 0.00 C ATOM 1385 C TYR A 82 -3.253 10.072 5.545 1.00 0.00 C ATOM 1386 O TYR A 82 -4.237 9.500 6.015 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.395 8.982 3.464 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.309 7.798 3.246 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.875 6.508 3.514 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.604 7.971 2.775 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.704 5.421 3.317 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.440 6.890 2.576 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.986 5.617 2.849 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.815 4.537 2.651 1.00 0.00 O ATOM 0 H TYR A 82 -2.746 7.599 6.019 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.194 9.872 5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.844 9.864 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.452 8.801 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.872 6.351 3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.963 8.967 2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.350 4.423 3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.444 7.041 2.208 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.346 3.714 2.903 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.123 11.393 5.536 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.150 12.265 6.092 1.00 0.00 C ATOM 1406 C ALA A 83 -5.378 12.318 5.188 1.00 0.00 C ATOM 1407 O ALA A 83 -5.288 12.710 4.025 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.592 13.664 6.307 1.00 0.00 C ATOM 0 H ALA A 83 -2.317 11.884 5.150 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.458 11.854 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.369 14.306 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.751 13.618 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.256 14.072 5.354 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.526 11.928 5.735 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.773 11.940 4.978 1.00 0.00 C ATOM 1416 C ASN A 84 -8.632 13.132 5.384 1.00 0.00 C ATOM 1417 O ASN A 84 -9.187 13.829 4.535 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.569 10.640 5.182 1.00 0.00 C ATOM 1419 CG ASN A 84 -7.873 9.636 6.075 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -7.317 8.646 5.600 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -7.898 9.884 7.378 1.00 0.00 N ATOM 0 H ASN A 84 -6.618 11.601 6.697 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.513 12.022 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.541 10.883 5.611 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.755 10.182 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.445 9.242 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.370 10.717 7.730 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.735 13.356 6.688 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.527 14.464 7.213 1.00 0.00 C ATOM 1430 C GLU A 85 -8.626 15.541 7.806 1.00 0.00 C ATOM 1431 O GLU A 85 -8.945 16.730 7.757 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.507 13.961 8.274 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.254 12.703 7.862 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.250 12.955 6.747 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.826 14.063 6.704 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -12.452 12.046 5.915 1.00 0.00 O ATOM 0 H GLU A 85 -8.281 12.786 7.402 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.090 14.899 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.961 13.764 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.229 14.748 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.537 11.948 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.778 12.296 8.727 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.498 15.119 8.366 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.567 16.057 8.961 1.00 0.00 C ATOM 1445 C GLY A 86 -5.275 15.393 9.393 1.00 0.00 C ATOM 1446 O GLY A 86 -4.314 15.333 8.627 1.00 0.00 O ATOM 0 H GLY A 86 -7.212 14.141 8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.344 16.848 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.035 16.531 9.824 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.252 14.893 10.624 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.068 14.230 11.157 1.00 0.00 C ATOM 1452 C ILE A 87 -4.449 12.984 11.949 1.00 0.00 C ATOM 1453 O ILE A 87 -4.094 11.865 11.578 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.250 15.167 12.069 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.355 16.617 11.589 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.795 14.724 12.110 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.544 17.359 12.162 1.00 0.00 C ATOM 0 H ILE A 87 -6.040 14.934 11.271 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.456 13.948 10.300 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.660 15.111 13.077 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.442 17.147 11.858 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.420 16.627 10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.229 15.394 12.757 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.735 13.707 12.499 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.377 14.753 11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.555 18.379 11.779 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.464 16.852 11.871 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.470 17.380 13.249 1.00 0.00 H new ATOM 1469 N SER A 88 -5.173 13.187 13.045 1.00 0.00 N ATOM 1470 CA SER A 88 -5.604 12.083 13.895 1.00 0.00 C ATOM 1471 C SER A 88 -6.512 11.119 13.135 1.00 0.00 C ATOM 1472 O SER A 88 -6.614 9.944 13.487 1.00 0.00 O ATOM 1473 CB SER A 88 -6.331 12.618 15.130 1.00 0.00 C ATOM 1474 OG SER A 88 -7.046 11.586 15.788 1.00 0.00 O ATOM 0 H SER A 88 -5.474 14.107 13.366 1.00 0.00 H new ATOM 0 HA SER A 88 -4.714 11.537 14.209 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.610 13.060 15.817 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.019 13.411 14.836 1.00 0.00 H new ATOM 0 HG SER A 88 -7.501 11.953 16.575 1.00 0.00 H new ATOM 1480 N SER A 89 -7.170 11.620 12.094 1.00 0.00 N ATOM 1481 CA SER A 89 -8.069 10.798 11.293 1.00 0.00 C ATOM 1482 C SER A 89 -7.299 10.016 10.233 1.00 0.00 C ATOM 1483 O SER A 89 -7.736 8.948 9.804 1.00 0.00 O ATOM 1484 CB SER A 89 -9.134 11.667 10.625 1.00 0.00 C ATOM 1485 OG SER A 89 -9.972 12.279 11.588 1.00 0.00 O ATOM 0 H SER A 89 -7.097 12.590 11.786 1.00 0.00 H new ATOM 0 HA SER A 89 -8.556 10.087 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.653 12.434 10.017 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.735 11.057 9.951 1.00 0.00 H new ATOM 0 HG SER A 89 -10.643 12.830 11.134 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.156 10.563 9.811 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.309 9.934 8.791 1.00 0.00 C ATOM 1493 C ALA A 90 -5.407 8.410 8.821 1.00 0.00 C ATOM 1494 O ALA A 90 -5.146 7.777 9.845 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.866 10.376 8.971 1.00 0.00 C ATOM 0 H ALA A 90 -5.792 11.448 10.163 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.670 10.260 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.244 9.905 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.802 11.460 8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.516 10.081 9.960 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.795 7.831 7.687 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.942 6.388 7.572 1.00 0.00 C ATOM 1503 C LYS A 91 -4.683 5.764 6.987 1.00 0.00 C ATOM 1504 O LYS A 91 -3.753 6.468 6.600 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.149 6.040 6.698 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.470 6.559 7.243 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.825 5.901 8.567 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.339 4.484 8.363 1.00 0.00 C ATOM 1509 NZ LYS A 91 -8.839 3.555 9.414 1.00 0.00 N ATOM 0 H LYS A 91 -6.013 8.344 6.833 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.101 5.984 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.993 6.448 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.210 4.957 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.410 7.639 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.262 6.371 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.947 5.882 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.583 6.494 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.429 4.489 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.029 4.123 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.212 2.600 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.800 3.531 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.156 3.885 10.348 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.658 4.440 6.923 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.504 3.731 6.387 1.00 0.00 C ATOM 1525 C ASN A 92 -3.909 2.758 5.286 1.00 0.00 C ATOM 1526 O ASN A 92 -5.077 2.388 5.163 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.767 2.981 7.499 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.699 2.440 8.569 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.718 1.696 8.152 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.504 2.687 9.759 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.420 3.837 7.234 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.835 4.476 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.206 2.155 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.041 3.650 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.709 3.263 10.037 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.137 2.316 10.467 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.928 2.347 4.489 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.166 1.414 3.396 1.00 0.00 C ATOM 1539 C LEU A 93 -2.234 0.212 3.505 1.00 0.00 C ATOM 1540 O LEU A 93 -1.017 0.346 3.378 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.965 2.111 2.047 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.157 2.022 1.090 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.400 3.361 0.411 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.928 0.931 0.054 1.00 0.00 C ATOM 0 H LEU A 93 -1.958 2.647 4.581 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.196 1.064 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.741 3.162 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.092 1.679 1.558 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.044 1.766 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.251 3.277 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.610 4.119 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.514 3.648 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.785 0.882 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.029 1.157 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.805 -0.028 0.557 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.813 -0.959 3.739 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.030 -2.181 3.862 1.00 0.00 C ATOM 1558 C LEU A 94 -1.847 -2.833 2.498 1.00 0.00 C ATOM 1559 O LEU A 94 -2.821 -3.147 1.813 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.715 -3.154 4.824 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.581 -2.805 6.309 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.187 -3.138 6.813 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.897 -1.334 6.544 1.00 0.00 C ATOM 0 H LEU A 94 -3.819 -1.088 3.847 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.048 -1.926 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.775 -3.203 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.303 -4.150 4.663 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.300 -3.404 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.112 -2.883 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.998 -4.203 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.450 -2.567 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.796 -1.105 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.204 -0.717 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.918 -1.125 6.223 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.594 -3.022 2.103 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.287 -3.624 0.815 1.00 0.00 C ATOM 1577 C LEU A 95 0.642 -4.822 0.972 1.00 0.00 C ATOM 1578 O LEU A 95 1.791 -4.684 1.393 1.00 0.00 O ATOM 1579 CB LEU A 95 0.344 -2.580 -0.103 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.515 -1.337 -0.348 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.087 -0.484 -1.449 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.942 -1.730 -0.701 1.00 0.00 C ATOM 0 H LEU A 95 0.224 -2.767 2.656 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.217 -3.981 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.296 -2.268 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.565 -3.047 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.538 -0.751 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.537 0.395 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.090 -0.170 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.141 -1.064 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.535 -0.832 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.939 -2.339 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.376 -2.301 0.120 1.00 0.00 H new ATOM 1594 N LEU A 96 0.132 -5.999 0.625 1.00 0.00 N ATOM 1595 CA LEU A 96 0.903 -7.232 0.720 1.00 0.00 C ATOM 1596 C LEU A 96 1.669 -7.485 -0.577 1.00 0.00 C ATOM 1597 O LEU A 96 1.092 -7.461 -1.664 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.031 -8.409 1.033 1.00 0.00 C ATOM 1599 CG LEU A 96 0.544 -9.806 0.778 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.369 -10.268 1.968 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.577 -10.795 0.488 1.00 0.00 C ATOM 0 H LEU A 96 -0.817 -6.124 0.274 1.00 0.00 H new ATOM 0 HA LEU A 96 1.627 -7.134 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.327 -8.345 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.938 -8.296 0.438 1.00 0.00 H new ATOM 0 HG LEU A 96 1.197 -9.758 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.769 -11.262 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.191 -9.572 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.739 -10.302 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.153 -11.783 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.253 -10.839 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.128 -10.471 -0.395 1.00 0.00 H new ATOM 1613 N ALA A 97 2.969 -7.725 -0.453 1.00 0.00 N ATOM 1614 CA ALA A 97 3.812 -7.982 -1.613 1.00 0.00 C ATOM 1615 C ALA A 97 4.069 -9.474 -1.787 1.00 0.00 C ATOM 1616 O ALA A 97 4.288 -10.194 -0.814 1.00 0.00 O ATOM 1617 CB ALA A 97 5.129 -7.231 -1.484 1.00 0.00 C ATOM 0 H ALA A 97 3.462 -7.747 0.440 1.00 0.00 H new ATOM 0 HA ALA A 97 3.286 -7.625 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.749 -7.432 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.933 -6.161 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.650 -7.561 -0.585 1.00 0.00 H new ATOM 1623 N ASN A 98 4.038 -9.933 -3.034 1.00 0.00 N ATOM 1624 CA ASN A 98 4.268 -11.342 -3.338 1.00 0.00 C ATOM 1625 C ASN A 98 5.621 -11.798 -2.802 1.00 0.00 C ATOM 1626 O ASN A 98 5.799 -12.965 -2.450 1.00 0.00 O ATOM 1627 CB ASN A 98 4.200 -11.582 -4.848 1.00 0.00 C ATOM 1628 CG ASN A 98 3.012 -10.893 -5.491 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.910 -11.440 -5.535 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.232 -9.684 -5.996 1.00 0.00 N ATOM 0 H ASN A 98 3.856 -9.350 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 98 3.486 -11.924 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.119 -11.223 -5.312 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.143 -12.653 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.471 -9.172 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.162 -9.268 -5.937 1.00 0.00 H new ATOM 1637 N SER A 99 6.571 -10.871 -2.743 1.00 0.00 N ATOM 1638 CA SER A 99 7.908 -11.178 -2.250 1.00 0.00 C ATOM 1639 C SER A 99 8.386 -10.109 -1.273 1.00 0.00 C ATOM 1640 O SER A 99 7.980 -8.950 -1.357 1.00 0.00 O ATOM 1641 CB SER A 99 8.891 -11.293 -3.418 1.00 0.00 C ATOM 1642 OG SER A 99 8.278 -11.899 -4.542 1.00 0.00 O ATOM 0 H SER A 99 6.440 -9.901 -3.030 1.00 0.00 H new ATOM 0 HA SER A 99 7.864 -12.132 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.256 -10.302 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.757 -11.879 -3.112 1.00 0.00 H new ATOM 0 HG SER A 99 7.917 -11.205 -5.132 1.00 0.00 H new ATOM 1648 N THR A 100 9.248 -10.508 -0.345 1.00 0.00 N ATOM 1649 CA THR A 100 9.783 -9.586 0.652 1.00 0.00 C ATOM 1650 C THR A 100 10.508 -8.423 -0.017 1.00 0.00 C ATOM 1651 O THR A 100 10.338 -7.267 0.370 1.00 0.00 O ATOM 1652 CB THR A 100 10.741 -10.320 1.591 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.331 -11.663 1.776 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.846 -9.679 2.958 1.00 0.00 C ATOM 0 H THR A 100 9.592 -11.465 -0.261 1.00 0.00 H new ATOM 0 HA THR A 100 8.948 -9.189 1.229 1.00 0.00 H new ATOM 0 HB THR A 100 11.716 -10.269 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.773 -12.234 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.541 -10.249 3.575 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.208 -8.656 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.864 -9.670 3.432 1.00 0.00 H new ATOM 1662 N GLU A 101 11.318 -8.739 -1.021 1.00 0.00 N ATOM 1663 CA GLU A 101 12.075 -7.726 -1.747 1.00 0.00 C ATOM 1664 C GLU A 101 11.162 -6.618 -2.263 1.00 0.00 C ATOM 1665 O GLU A 101 11.522 -5.441 -2.234 1.00 0.00 O ATOM 1666 CB GLU A 101 12.829 -8.365 -2.914 1.00 0.00 C ATOM 1667 CG GLU A 101 13.603 -9.614 -2.526 1.00 0.00 C ATOM 1668 CD GLU A 101 14.745 -9.911 -3.478 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.285 -8.955 -4.074 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.101 -11.099 -3.628 1.00 0.00 O ATOM 0 H GLU A 101 11.468 -9.692 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 101 12.791 -7.283 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.118 -8.618 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.521 -7.634 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.998 -9.494 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.923 -10.466 -2.503 1.00 0.00 H new ATOM 1677 N GLU A 102 9.980 -7.001 -2.733 1.00 0.00 N ATOM 1678 CA GLU A 102 9.016 -6.037 -3.254 1.00 0.00 C ATOM 1679 C GLU A 102 8.634 -5.018 -2.183 1.00 0.00 C ATOM 1680 O GLU A 102 8.566 -3.819 -2.448 1.00 0.00 O ATOM 1681 CB GLU A 102 7.765 -6.760 -3.762 1.00 0.00 C ATOM 1682 CG GLU A 102 7.552 -6.624 -5.261 1.00 0.00 C ATOM 1683 CD GLU A 102 7.976 -7.863 -6.025 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.550 -8.972 -5.641 1.00 0.00 O ATOM 1685 OE2 GLU A 102 8.734 -7.724 -7.008 1.00 0.00 O ATOM 0 H GLU A 102 9.666 -7.971 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 102 9.480 -5.505 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.838 -7.817 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.892 -6.367 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.499 -6.423 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.114 -5.765 -5.628 1.00 0.00 H new ATOM 1692 N GLN A 103 8.388 -5.507 -0.972 1.00 0.00 N ATOM 1693 CA GLN A 103 8.015 -4.643 0.142 1.00 0.00 C ATOM 1694 C GLN A 103 9.116 -3.630 0.440 1.00 0.00 C ATOM 1695 O GLN A 103 8.838 -2.493 0.821 1.00 0.00 O ATOM 1696 CB GLN A 103 7.721 -5.485 1.388 1.00 0.00 C ATOM 1697 CG GLN A 103 7.544 -4.666 2.659 1.00 0.00 C ATOM 1698 CD GLN A 103 8.763 -4.719 3.558 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.363 -5.777 3.750 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.136 -3.574 4.117 1.00 0.00 N ATOM 0 H GLN A 103 8.440 -6.498 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 103 7.115 -4.096 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.817 -6.069 1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.535 -6.195 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.337 -3.629 2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.676 -5.034 3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.610 -2.720 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.949 -3.548 4.733 1.00 0.00 H new ATOM 1709 N GLN A 104 10.365 -4.047 0.268 1.00 0.00 N ATOM 1710 CA GLN A 104 11.505 -3.170 0.524 1.00 0.00 C ATOM 1711 C GLN A 104 11.600 -2.081 -0.540 1.00 0.00 C ATOM 1712 O GLN A 104 11.942 -0.937 -0.244 1.00 0.00 O ATOM 1713 CB GLN A 104 12.817 -3.966 0.564 1.00 0.00 C ATOM 1714 CG GLN A 104 12.662 -5.408 1.028 1.00 0.00 C ATOM 1715 CD GLN A 104 11.826 -5.538 2.285 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.497 -4.545 2.933 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.477 -6.771 2.636 1.00 0.00 N ATOM 0 H GLN A 104 10.615 -4.984 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 104 11.348 -2.705 1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.261 -3.963 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.517 -3.457 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.203 -5.993 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.649 -5.834 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.772 -7.566 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.914 -6.923 3.473 1.00 0.00 H new ATOM 1726 N LYS A 105 11.303 -2.449 -1.782 1.00 0.00 N ATOM 1727 CA LYS A 105 11.360 -1.506 -2.893 1.00 0.00 C ATOM 1728 C LYS A 105 10.178 -0.541 -2.859 1.00 0.00 C ATOM 1729 O LYS A 105 10.354 0.672 -2.972 1.00 0.00 O ATOM 1730 CB LYS A 105 11.381 -2.262 -4.227 1.00 0.00 C ATOM 1731 CG LYS A 105 11.192 -1.367 -5.444 1.00 0.00 C ATOM 1732 CD LYS A 105 11.152 -2.176 -6.731 1.00 0.00 C ATOM 1733 CE LYS A 105 9.723 -2.453 -7.169 1.00 0.00 C ATOM 1734 NZ LYS A 105 9.669 -3.082 -8.518 1.00 0.00 N ATOM 0 H LYS A 105 11.020 -3.393 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 105 12.277 -0.925 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.330 -2.790 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.596 -3.018 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.266 -0.801 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.005 -0.643 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.677 -1.635 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.679 -3.119 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.241 -3.108 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.159 -1.520 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.678 -3.255 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.106 -2.446 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.185 -3.985 -8.501 1.00 0.00 H new ATOM 1748 N TRP A 106 8.975 -1.086 -2.717 1.00 0.00 N ATOM 1749 CA TRP A 106 7.769 -0.268 -2.685 1.00 0.00 C ATOM 1750 C TRP A 106 7.827 0.772 -1.570 1.00 0.00 C ATOM 1751 O TRP A 106 7.598 1.959 -1.800 1.00 0.00 O ATOM 1752 CB TRP A 106 6.535 -1.144 -2.506 1.00 0.00 C ATOM 1753 CG TRP A 106 5.847 -1.434 -3.798 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.130 -2.449 -4.655 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.780 -0.691 -4.390 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.288 -2.401 -5.739 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.452 -1.329 -5.601 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.062 0.446 -4.013 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.439 -0.867 -6.435 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.058 0.904 -4.847 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.755 0.247 -6.042 1.00 0.00 C ATOM 0 H TRP A 106 8.809 -2.088 -2.622 1.00 0.00 H new ATOM 0 HA TRP A 106 7.705 0.256 -3.638 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.825 -2.083 -2.034 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.838 -0.650 -1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.905 -3.187 -4.506 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.287 -3.058 -6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.286 0.958 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.202 -1.372 -7.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.498 1.785 -4.569 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.962 0.629 -6.668 1.00 0.00 H new ATOM 1772 N VAL A 107 8.127 0.314 -0.361 1.00 0.00 N ATOM 1773 CA VAL A 107 8.206 1.196 0.797 1.00 0.00 C ATOM 1774 C VAL A 107 9.347 2.198 0.661 1.00 0.00 C ATOM 1775 O VAL A 107 9.153 3.399 0.840 1.00 0.00 O ATOM 1776 CB VAL A 107 8.392 0.392 2.099 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.358 1.313 3.311 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.328 -0.689 2.213 1.00 0.00 C ATOM 0 H VAL A 107 8.320 -0.666 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 107 7.262 1.740 0.842 1.00 0.00 H new ATOM 0 HB VAL A 107 9.369 -0.090 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.491 0.725 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.160 2.047 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.398 1.828 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.474 -1.247 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.340 -0.228 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.406 -1.368 1.364 1.00 0.00 H new ATOM 1788 N SER A 108 10.538 1.697 0.350 1.00 0.00 N ATOM 1789 CA SER A 108 11.712 2.549 0.201 1.00 0.00 C ATOM 1790 C SER A 108 11.513 3.581 -0.905 1.00 0.00 C ATOM 1791 O SER A 108 11.955 4.723 -0.785 1.00 0.00 O ATOM 1792 CB SER A 108 12.947 1.697 -0.097 1.00 0.00 C ATOM 1793 OG SER A 108 14.124 2.487 -0.091 1.00 0.00 O ATOM 0 H SER A 108 10.716 0.704 0.196 1.00 0.00 H new ATOM 0 HA SER A 108 11.859 3.083 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.034 0.904 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.834 1.214 -1.068 1.00 0.00 H new ATOM 0 HG SER A 108 14.900 1.920 -0.282 1.00 0.00 H new ATOM 1799 N ARG A 109 10.855 3.173 -1.984 1.00 0.00 N ATOM 1800 CA ARG A 109 10.609 4.070 -3.107 1.00 0.00 C ATOM 1801 C ARG A 109 9.500 5.067 -2.783 1.00 0.00 C ATOM 1802 O ARG A 109 9.682 6.280 -2.905 1.00 0.00 O ATOM 1803 CB ARG A 109 10.245 3.268 -4.356 1.00 0.00 C ATOM 1804 CG ARG A 109 11.442 2.608 -5.023 1.00 0.00 C ATOM 1805 CD ARG A 109 11.873 3.361 -6.273 1.00 0.00 C ATOM 1806 NE ARG A 109 13.321 3.560 -6.321 1.00 0.00 N ATOM 1807 CZ ARG A 109 13.955 4.564 -5.718 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.275 5.464 -5.016 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.272 4.669 -5.817 1.00 0.00 N ATOM 0 H ARG A 109 10.484 2.231 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 109 11.525 4.630 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.520 2.500 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.758 3.929 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.273 2.565 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.192 1.580 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.553 2.809 -7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.373 4.329 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 109 13.879 2.889 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.261 5.389 -4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 109 13.767 6.230 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.799 3.981 -6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 109 15.758 5.438 -5.356 1.00 0.00 H new ATOM 1823 N LEU A 110 8.349 4.546 -2.375 1.00 0.00 N ATOM 1824 CA LEU A 110 7.206 5.386 -2.040 1.00 0.00 C ATOM 1825 C LEU A 110 7.540 6.338 -0.895 1.00 0.00 C ATOM 1826 O LEU A 110 7.121 7.496 -0.899 1.00 0.00 O ATOM 1827 CB LEU A 110 5.998 4.515 -1.675 1.00 0.00 C ATOM 1828 CG LEU A 110 5.995 3.964 -0.248 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.420 4.990 0.719 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.209 2.662 -0.182 1.00 0.00 C ATOM 0 H LEU A 110 8.183 3.545 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 110 6.958 5.987 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.091 5.101 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.952 3.677 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 110 7.024 3.758 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.426 4.581 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.026 5.896 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.397 5.229 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.217 2.284 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.180 2.842 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.666 1.927 -0.844 1.00 0.00 H new ATOM 1842 N VAL A 111 8.295 5.846 0.083 1.00 0.00 N ATOM 1843 CA VAL A 111 8.679 6.662 1.228 1.00 0.00 C ATOM 1844 C VAL A 111 9.680 7.734 0.816 1.00 0.00 C ATOM 1845 O VAL A 111 9.586 8.885 1.244 1.00 0.00 O ATOM 1846 CB VAL A 111 9.278 5.803 2.364 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.682 5.330 2.013 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.278 6.577 3.675 1.00 0.00 C ATOM 0 H VAL A 111 8.651 4.890 0.105 1.00 0.00 H new ATOM 0 HA VAL A 111 7.773 7.140 1.600 1.00 0.00 H new ATOM 0 HB VAL A 111 8.652 4.920 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.078 4.728 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.647 4.729 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.327 6.194 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.703 5.957 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.875 7.482 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.255 6.847 3.938 1.00 0.00 H new ATOM 1858 N LYS A 112 10.634 7.349 -0.026 1.00 0.00 N ATOM 1859 CA LYS A 112 11.646 8.280 -0.505 1.00 0.00 C ATOM 1860 C LYS A 112 10.988 9.439 -1.245 1.00 0.00 C ATOM 1861 O LYS A 112 11.489 10.563 -1.234 1.00 0.00 O ATOM 1862 CB LYS A 112 12.637 7.565 -1.424 1.00 0.00 C ATOM 1863 CG LYS A 112 13.874 7.056 -0.703 1.00 0.00 C ATOM 1864 CD LYS A 112 15.046 6.891 -1.657 1.00 0.00 C ATOM 1865 CE LYS A 112 15.659 8.234 -2.025 1.00 0.00 C ATOM 1866 NZ LYS A 112 15.219 8.698 -3.370 1.00 0.00 N ATOM 0 H LYS A 112 10.726 6.400 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 112 12.189 8.673 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.134 6.725 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.943 8.248 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.145 7.751 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.652 6.100 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.804 6.258 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.712 6.383 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.382 8.976 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.746 8.154 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.031 8.699 -4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.484 8.058 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.834 9.661 -3.296 1.00 0.00 H new ATOM 1880 N LYS A 113 9.857 9.151 -1.885 1.00 0.00 N ATOM 1881 CA LYS A 113 9.121 10.168 -2.626 1.00 0.00 C ATOM 1882 C LYS A 113 8.455 11.159 -1.674 1.00 0.00 C ATOM 1883 O LYS A 113 8.174 12.298 -2.047 1.00 0.00 O ATOM 1884 CB LYS A 113 8.067 9.513 -3.519 1.00 0.00 C ATOM 1885 CG LYS A 113 8.652 8.805 -4.732 1.00 0.00 C ATOM 1886 CD LYS A 113 7.953 9.221 -6.019 1.00 0.00 C ATOM 1887 CE LYS A 113 7.049 8.118 -6.545 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.109 8.010 -8.029 1.00 0.00 N ATOM 0 H LYS A 113 9.432 8.224 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 113 9.829 10.712 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.498 8.795 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.365 10.275 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.716 9.030 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.563 7.726 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.364 10.121 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.698 9.473 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.341 7.167 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.022 8.313 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.249 7.541 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.177 8.961 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.943 7.453 -8.303 1.00 0.00 H new ATOM 1902 N ILE A 114 8.207 10.719 -0.443 1.00 0.00 N ATOM 1903 CA ILE A 114 7.575 11.569 0.560 1.00 0.00 C ATOM 1904 C ILE A 114 8.478 12.746 0.926 1.00 0.00 C ATOM 1905 O ILE A 114 9.682 12.578 1.114 1.00 0.00 O ATOM 1906 CB ILE A 114 7.243 10.776 1.841 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.464 9.505 1.499 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.453 11.642 2.812 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.105 8.673 2.710 1.00 0.00 C ATOM 0 H ILE A 114 8.434 9.780 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 114 6.649 11.943 0.123 1.00 0.00 H new ATOM 0 HB ILE A 114 8.178 10.486 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.550 9.779 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.057 8.898 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.227 11.068 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.043 12.518 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.523 11.961 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.554 7.788 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.016 8.368 3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.486 9.263 3.386 1.00 0.00 H new ATOM 1921 N PRO A 115 7.907 13.961 1.035 1.00 0.00 N ATOM 1922 CA PRO A 115 8.673 15.161 1.382 1.00 0.00 C ATOM 1923 C PRO A 115 9.079 15.185 2.851 1.00 0.00 C ATOM 1924 O PRO A 115 10.200 15.563 3.191 1.00 0.00 O ATOM 1925 CB PRO A 115 7.700 16.300 1.077 1.00 0.00 C ATOM 1926 CG PRO A 115 6.350 15.699 1.252 1.00 0.00 C ATOM 1927 CD PRO A 115 6.476 14.260 0.829 1.00 0.00 C ATOM 0 HA PRO A 115 9.610 15.222 0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.850 17.141 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.837 16.678 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.022 15.773 2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.610 16.220 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.840 13.609 1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.183 14.121 -0.212 1.00 0.00 H new