USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 58 LYS NZ :NH3+ -162:sc= 0.825 (180deg=-0.0994) USER MOD Set 1.2: A 62 SER OG : rot 65:sc= 2.06 USER MOD Set 2.1: A 53 GLN : amide:sc= 1.78 K(o=2.4,f=-5.9!) USER MOD Set 2.2: A 56 GLN : amide:sc= 0.594 K(o=2.4,f=-8!) USER MOD Set 3.1: A 48 CYS SG : rot -63:sc= 1.07 USER MOD Set 3.2: A 54 SER OG : rot 147:sc= 1.73 USER MOD Set 3.3: A 71 ASN : amide:sc= 0.094 K(o=2.9,f=2.2) USER MOD Set 4.1: A 12 GLN : amide:sc= 0.188 K(o=0.26,f=-1.3) USER MOD Set 4.2: A 47 TYR OH : rot 1:sc= 0.0737 USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 5.2: A 68 HIS : no HE2:sc= 0.658 K(o=0.69,f=-1.9!) USER MOD Single : A 3 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.61 K(o=1.6,f=-0.08) USER MOD Single : A 15 GLN : amide:sc= 1 K(o=1,f=-0.003) USER MOD Single : A 17 HIS : no HE2:sc= 0.448 K(o=0.45,f=-2!) USER MOD Single : A 19 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.26) USER MOD Single : A 23 ASN : amide:sc= 1.35 K(o=1.4,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.09) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.066) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.09) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -127:sc= -0.0248 (180deg=-0.113) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00128 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 149:sc= -0.0116 (180deg=-0.208) USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= 2.27 (180deg=1.45) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= 0.803 (180deg=0.533) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.019 0.711 -5.035 1.00 0.00 N ATOM 14 CA GLU A 2 1.369 1.886 -5.822 1.00 0.00 C ATOM 15 C GLU A 2 0.851 1.689 -7.248 1.00 0.00 C ATOM 16 O GLU A 2 0.841 0.566 -7.762 1.00 0.00 O ATOM 17 CB GLU A 2 2.895 2.088 -5.858 1.00 0.00 C ATOM 18 CG GLU A 2 3.541 2.450 -4.514 1.00 0.00 C ATOM 19 CD GLU A 2 5.074 2.483 -4.620 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.621 3.431 -5.231 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.742 1.578 -4.069 1.00 0.00 O ATOM 0 HA GLU A 2 0.917 2.767 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.357 1.174 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.124 2.876 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.177 3.423 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.243 1.724 -3.758 1.00 0.00 H new ATOM 28 N HIS A 3 0.488 2.796 -7.894 1.00 0.00 N ATOM 29 CA HIS A 3 0.098 2.886 -9.291 1.00 0.00 C ATOM 30 C HIS A 3 0.901 4.040 -9.887 1.00 0.00 C ATOM 31 O HIS A 3 0.557 5.213 -9.723 1.00 0.00 O ATOM 32 CB HIS A 3 -1.421 3.090 -9.419 1.00 0.00 C ATOM 33 CG HIS A 3 -2.223 1.833 -9.177 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.644 1.329 -7.965 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.676 0.972 -10.143 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.323 0.196 -8.196 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.373 -0.070 -9.515 1.00 0.00 N ATOM 0 H HIS A 3 0.458 3.702 -7.426 1.00 0.00 H new ATOM 0 HA HIS A 3 0.313 1.966 -9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.737 3.855 -8.710 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.646 3.468 -10.416 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.469 1.746 -7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.522 1.078 -11.207 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.769 -0.419 -7.429 1.00 0.00 H new ATOM 45 N TRP A 4 2.031 3.706 -10.507 1.00 0.00 N ATOM 46 CA TRP A 4 2.882 4.661 -11.203 1.00 0.00 C ATOM 47 C TRP A 4 2.234 4.961 -12.554 1.00 0.00 C ATOM 48 O TRP A 4 1.778 4.036 -13.229 1.00 0.00 O ATOM 49 CB TRP A 4 4.285 4.057 -11.366 1.00 0.00 C ATOM 50 CG TRP A 4 4.823 3.395 -10.129 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.282 4.027 -9.025 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.880 1.969 -9.814 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.586 3.102 -8.047 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.389 1.813 -8.490 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.527 0.790 -10.506 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.565 0.553 -7.897 1.00 0.00 C ATOM 57 CZ3 TRP A 4 4.695 -0.480 -9.920 1.00 0.00 C ATOM 58 CH2 TRP A 4 5.217 -0.600 -8.620 1.00 0.00 C ATOM 0 H TRP A 4 2.384 2.749 -10.539 1.00 0.00 H new ATOM 0 HA TRP A 4 2.986 5.591 -10.644 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.261 3.325 -12.174 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.974 4.845 -11.670 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.394 5.096 -8.924 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.916 3.343 -7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.120 0.863 -11.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.963 0.471 -6.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.421 -1.367 -10.473 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.350 -1.577 -8.178 1.00 0.00 H new ATOM 69 N ILE A 5 2.198 6.223 -12.972 1.00 0.00 N ATOM 70 CA ILE A 5 1.447 6.654 -14.141 1.00 0.00 C ATOM 71 C ILE A 5 2.378 7.504 -15.002 1.00 0.00 C ATOM 72 O ILE A 5 2.918 8.513 -14.539 1.00 0.00 O ATOM 73 CB ILE A 5 0.187 7.463 -13.746 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.632 6.955 -12.536 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.726 7.591 -14.973 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.338 5.603 -12.702 1.00 0.00 C ATOM 0 H ILE A 5 2.695 6.980 -12.503 1.00 0.00 H new ATOM 0 HA ILE A 5 1.099 5.781 -14.693 1.00 0.00 H new ATOM 0 HB ILE A 5 0.576 8.423 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.036 6.887 -11.677 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.385 7.705 -12.296 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.617 8.159 -14.706 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.192 8.107 -15.771 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.018 6.598 -15.314 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.877 5.359 -11.786 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.041 5.659 -13.533 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.598 4.829 -12.905 1.00 0.00 H new ATOM 88 N ASP A 6 2.554 7.085 -16.251 1.00 0.00 N ATOM 89 CA ASP A 6 3.169 7.891 -17.292 1.00 0.00 C ATOM 90 C ASP A 6 2.068 8.808 -17.803 1.00 0.00 C ATOM 91 O ASP A 6 1.100 8.325 -18.393 1.00 0.00 O ATOM 92 CB ASP A 6 3.652 7.001 -18.442 1.00 0.00 C ATOM 93 CG ASP A 6 3.781 7.781 -19.759 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.233 8.951 -19.743 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.453 7.195 -20.809 1.00 0.00 O ATOM 0 H ASP A 6 2.267 6.160 -16.570 1.00 0.00 H new ATOM 0 HA ASP A 6 4.029 8.442 -16.910 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.617 6.566 -18.183 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.955 6.174 -18.577 1.00 0.00 H new ATOM 100 N VAL A 7 2.201 10.112 -17.582 1.00 0.00 N ATOM 101 CA VAL A 7 1.168 11.081 -17.970 1.00 0.00 C ATOM 102 C VAL A 7 1.554 11.923 -19.191 1.00 0.00 C ATOM 103 O VAL A 7 0.961 12.979 -19.417 1.00 0.00 O ATOM 104 CB VAL A 7 0.646 11.890 -16.764 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.127 10.982 -15.639 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.712 12.826 -16.186 1.00 0.00 C ATOM 0 H VAL A 7 3.017 10.529 -17.134 1.00 0.00 H new ATOM 0 HA VAL A 7 0.310 10.505 -18.316 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.179 12.487 -17.153 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.230 11.595 -14.812 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.692 10.368 -16.015 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.934 10.337 -15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.296 13.373 -15.340 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.569 12.240 -15.853 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.031 13.532 -16.953 1.00 0.00 H new ATOM 116 N ARG A 8 2.504 11.469 -20.018 1.00 0.00 N ATOM 117 CA ARG A 8 2.807 12.120 -21.295 1.00 0.00 C ATOM 118 C ARG A 8 2.358 11.228 -22.446 1.00 0.00 C ATOM 119 O ARG A 8 1.622 10.259 -22.254 1.00 0.00 O ATOM 120 CB ARG A 8 4.305 12.490 -21.395 1.00 0.00 C ATOM 121 CG ARG A 8 4.432 13.962 -21.820 1.00 0.00 C ATOM 122 CD ARG A 8 5.854 14.349 -22.230 1.00 0.00 C ATOM 123 NE ARG A 8 5.914 15.794 -22.501 1.00 0.00 N ATOM 124 CZ ARG A 8 6.809 16.454 -23.242 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.807 15.819 -23.854 1.00 0.00 N ATOM 126 NH2 ARG A 8 6.675 17.769 -23.351 1.00 0.00 N ATOM 0 H ARG A 8 3.078 10.649 -19.822 1.00 0.00 H new ATOM 0 HA ARG A 8 2.253 13.057 -21.356 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.796 12.332 -20.435 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.804 11.845 -22.118 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.756 14.153 -22.653 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.111 14.600 -20.997 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.555 14.088 -21.438 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.152 13.790 -23.117 1.00 0.00 H new ATOM 0 HE ARG A 8 5.183 16.361 -22.071 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.900 14.807 -23.762 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.478 16.344 -24.414 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.907 18.244 -22.877 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.340 18.305 -23.909 1.00 0.00 H new ATOM 140 N VAL A 9 2.771 11.588 -23.659 1.00 0.00 N ATOM 141 CA VAL A 9 2.643 10.711 -24.807 1.00 0.00 C ATOM 142 C VAL A 9 3.399 9.402 -24.528 1.00 0.00 C ATOM 143 O VAL A 9 4.449 9.432 -23.878 1.00 0.00 O ATOM 144 CB VAL A 9 3.197 11.396 -26.071 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.172 12.386 -26.639 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.540 12.124 -25.868 1.00 0.00 C ATOM 0 H VAL A 9 3.200 12.490 -23.867 1.00 0.00 H new ATOM 0 HA VAL A 9 1.590 10.489 -24.978 1.00 0.00 H new ATOM 0 HB VAL A 9 3.386 10.584 -26.773 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.580 12.860 -27.531 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.257 11.854 -26.898 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.950 13.148 -25.892 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.854 12.576 -26.809 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.422 12.901 -25.113 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.295 11.410 -25.539 1.00 0.00 H new ATOM 156 N PRO A 10 2.948 8.268 -25.092 1.00 0.00 N ATOM 157 CA PRO A 10 3.652 6.998 -24.959 1.00 0.00 C ATOM 158 C PRO A 10 5.035 7.010 -25.622 1.00 0.00 C ATOM 159 O PRO A 10 5.849 6.131 -25.349 1.00 0.00 O ATOM 160 CB PRO A 10 2.735 5.956 -25.594 1.00 0.00 C ATOM 161 CG PRO A 10 1.873 6.749 -26.572 1.00 0.00 C ATOM 162 CD PRO A 10 1.739 8.107 -25.891 1.00 0.00 C ATOM 0 HA PRO A 10 3.855 6.779 -23.911 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.308 5.183 -26.107 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.124 5.455 -24.843 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.347 6.833 -27.550 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.902 6.278 -26.727 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.646 8.906 -26.626 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.848 8.145 -25.265 1.00 0.00 H new ATOM 170 N GLU A 11 5.327 8.001 -26.468 1.00 0.00 N ATOM 171 CA GLU A 11 6.630 8.169 -27.100 1.00 0.00 C ATOM 172 C GLU A 11 7.753 8.234 -26.057 1.00 0.00 C ATOM 173 O GLU A 11 8.808 7.646 -26.294 1.00 0.00 O ATOM 174 CB GLU A 11 6.637 9.431 -27.980 1.00 0.00 C ATOM 175 CG GLU A 11 5.609 9.408 -29.123 1.00 0.00 C ATOM 176 CD GLU A 11 5.873 8.279 -30.138 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.771 8.426 -30.998 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.170 7.245 -30.103 1.00 0.00 O ATOM 0 H GLU A 11 4.652 8.718 -26.735 1.00 0.00 H new ATOM 0 HA GLU A 11 6.813 7.299 -27.730 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.445 10.300 -27.351 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.633 9.559 -28.404 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.610 9.289 -28.705 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.626 10.367 -29.640 1.00 0.00 H new ATOM 185 N GLN A 12 7.546 8.885 -24.900 1.00 0.00 N ATOM 186 CA GLN A 12 8.578 8.917 -23.860 1.00 0.00 C ATOM 187 C GLN A 12 8.740 7.520 -23.244 1.00 0.00 C ATOM 188 O GLN A 12 9.854 7.005 -23.153 1.00 0.00 O ATOM 189 CB GLN A 12 8.313 10.049 -22.841 1.00 0.00 C ATOM 190 CG GLN A 12 7.281 9.787 -21.723 1.00 0.00 C ATOM 191 CD GLN A 12 7.824 9.002 -20.515 1.00 0.00 C ATOM 192 OE1 GLN A 12 9.024 8.899 -20.290 1.00 0.00 O ATOM 193 NE2 GLN A 12 6.950 8.437 -19.702 1.00 0.00 N ATOM 0 H GLN A 12 6.689 9.386 -24.667 1.00 0.00 H new ATOM 0 HA GLN A 12 9.544 9.167 -24.300 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.262 10.302 -22.368 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.989 10.929 -23.396 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.895 10.744 -21.373 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.439 9.239 -22.146 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.951 8.522 -19.888 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.274 7.915 -18.888 1.00 0.00 H new ATOM 202 N TYR A 13 7.612 6.878 -22.918 1.00 0.00 N ATOM 203 CA TYR A 13 7.525 5.558 -22.306 1.00 0.00 C ATOM 204 C TYR A 13 8.203 4.492 -23.173 1.00 0.00 C ATOM 205 O TYR A 13 8.811 3.553 -22.648 1.00 0.00 O ATOM 206 CB TYR A 13 6.029 5.283 -22.048 1.00 0.00 C ATOM 207 CG TYR A 13 5.574 3.866 -21.741 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.526 2.898 -22.766 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.074 3.548 -20.463 1.00 0.00 C ATOM 210 CE1 TYR A 13 5.032 1.608 -22.506 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.571 2.263 -20.197 1.00 0.00 C ATOM 212 CZ TYR A 13 4.553 1.283 -21.215 1.00 0.00 C ATOM 213 OH TYR A 13 4.048 0.044 -20.950 1.00 0.00 O ATOM 0 H TYR A 13 6.694 7.290 -23.084 1.00 0.00 H new ATOM 0 HA TYR A 13 8.065 5.521 -21.360 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.719 5.914 -21.215 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.478 5.621 -22.926 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.871 3.150 -23.758 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.077 4.296 -19.684 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.018 0.866 -23.291 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.197 2.024 -19.212 1.00 0.00 H new ATOM 0 HH TYR A 13 3.767 -0.001 -20.012 1.00 0.00 H new ATOM 223 N GLN A 14 8.127 4.643 -24.499 1.00 0.00 N ATOM 224 CA GLN A 14 8.773 3.782 -25.457 1.00 0.00 C ATOM 225 C GLN A 14 10.294 3.843 -25.299 1.00 0.00 C ATOM 226 O GLN A 14 10.929 2.790 -25.391 1.00 0.00 O ATOM 227 CB GLN A 14 8.289 4.170 -26.869 1.00 0.00 C ATOM 228 CG GLN A 14 8.871 3.339 -28.023 1.00 0.00 C ATOM 229 CD GLN A 14 8.599 1.840 -27.875 1.00 0.00 C ATOM 230 OE1 GLN A 14 7.649 1.293 -28.430 1.00 0.00 O ATOM 231 NE2 GLN A 14 9.425 1.160 -27.102 1.00 0.00 N ATOM 0 H GLN A 14 7.594 5.396 -24.935 1.00 0.00 H new ATOM 0 HA GLN A 14 8.502 2.741 -25.284 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.203 4.086 -26.897 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.532 5.218 -27.041 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.448 3.688 -28.965 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.947 3.504 -28.076 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.208 1.634 -26.651 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.281 0.161 -26.956 1.00 0.00 H new ATOM 240 N GLN A 15 10.882 5.020 -25.047 1.00 0.00 N ATOM 241 CA GLN A 15 12.332 5.121 -24.901 1.00 0.00 C ATOM 242 C GLN A 15 12.746 4.399 -23.625 1.00 0.00 C ATOM 243 O GLN A 15 13.639 3.554 -23.667 1.00 0.00 O ATOM 244 CB GLN A 15 12.834 6.579 -24.878 1.00 0.00 C ATOM 245 CG GLN A 15 12.217 7.516 -25.925 1.00 0.00 C ATOM 246 CD GLN A 15 12.179 6.930 -27.338 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.202 6.557 -27.909 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.000 6.831 -27.931 1.00 0.00 N ATOM 0 H GLN A 15 10.380 5.902 -24.942 1.00 0.00 H new ATOM 0 HA GLN A 15 12.790 4.655 -25.773 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.641 6.994 -23.889 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.915 6.573 -25.016 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.201 7.767 -25.619 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.784 8.447 -25.944 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.158 7.144 -27.447 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.933 6.442 -28.872 1.00 0.00 H new ATOM 257 N GLU A 16 12.069 4.708 -22.518 1.00 0.00 N ATOM 258 CA GLU A 16 12.103 3.985 -21.258 1.00 0.00 C ATOM 259 C GLU A 16 10.987 4.547 -20.373 1.00 0.00 C ATOM 260 O GLU A 16 10.625 5.718 -20.493 1.00 0.00 O ATOM 261 CB GLU A 16 13.481 4.045 -20.565 1.00 0.00 C ATOM 262 CG GLU A 16 13.889 5.431 -20.050 1.00 0.00 C ATOM 263 CD GLU A 16 15.397 5.498 -19.744 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.841 4.940 -18.716 1.00 0.00 O ATOM 265 OE2 GLU A 16 16.152 6.119 -20.526 1.00 0.00 O ATOM 0 H GLU A 16 11.449 5.517 -22.481 1.00 0.00 H new ATOM 0 HA GLU A 16 11.938 2.924 -21.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.480 3.349 -19.726 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.239 3.697 -21.267 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.634 6.186 -20.793 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.323 5.667 -19.149 1.00 0.00 H new ATOM 272 N HIS A 17 10.465 3.733 -19.461 1.00 0.00 N ATOM 273 CA HIS A 17 9.452 4.117 -18.492 1.00 0.00 C ATOM 274 C HIS A 17 9.825 3.527 -17.142 1.00 0.00 C ATOM 275 O HIS A 17 10.480 2.483 -17.082 1.00 0.00 O ATOM 276 CB HIS A 17 8.062 3.634 -18.939 1.00 0.00 C ATOM 277 CG HIS A 17 7.945 2.169 -19.273 1.00 0.00 C ATOM 278 ND1 HIS A 17 8.181 1.590 -20.499 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.472 1.186 -18.445 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.877 0.284 -20.398 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.433 -0.014 -19.163 1.00 0.00 N ATOM 0 H HIS A 17 10.747 2.756 -19.376 1.00 0.00 H new ATOM 0 HA HIS A 17 9.409 5.203 -18.414 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.348 3.864 -18.148 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.764 4.210 -19.815 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.524 2.066 -21.333 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.179 1.315 -17.414 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.976 -0.431 -21.201 1.00 0.00 H new ATOM 289 N VAL A 18 9.391 4.191 -16.068 1.00 0.00 N ATOM 290 CA VAL A 18 9.483 3.675 -14.706 1.00 0.00 C ATOM 291 C VAL A 18 8.800 2.304 -14.702 1.00 0.00 C ATOM 292 O VAL A 18 7.669 2.177 -15.181 1.00 0.00 O ATOM 293 CB VAL A 18 8.839 4.684 -13.729 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.823 4.160 -12.285 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.594 6.024 -13.745 1.00 0.00 C ATOM 0 H VAL A 18 8.961 5.114 -16.124 1.00 0.00 H new ATOM 0 HA VAL A 18 10.514 3.551 -14.374 1.00 0.00 H new ATOM 0 HB VAL A 18 7.813 4.825 -14.069 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.361 4.902 -11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.252 3.233 -12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.845 3.973 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.121 6.717 -13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.630 5.862 -13.447 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.567 6.445 -14.750 1.00 0.00 H new ATOM 305 N GLN A 19 9.505 1.276 -14.225 1.00 0.00 N ATOM 306 CA GLN A 19 9.065 -0.107 -14.331 1.00 0.00 C ATOM 307 C GLN A 19 7.674 -0.256 -13.703 1.00 0.00 C ATOM 308 O GLN A 19 7.487 0.041 -12.522 1.00 0.00 O ATOM 309 CB GLN A 19 10.133 -1.024 -13.703 1.00 0.00 C ATOM 310 CG GLN A 19 9.883 -2.529 -13.903 1.00 0.00 C ATOM 311 CD GLN A 19 8.926 -3.129 -12.867 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.302 -3.379 -11.724 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.678 -3.380 -13.231 1.00 0.00 N ATOM 0 H GLN A 19 10.402 1.386 -13.752 1.00 0.00 H new ATOM 0 HA GLN A 19 8.962 -0.410 -15.373 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.105 -0.771 -14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.188 -0.817 -12.634 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.476 -2.693 -14.901 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.835 -3.057 -13.856 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.372 -3.170 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.023 -3.783 -12.561 1.00 0.00 H new ATOM 322 N GLY A 20 6.711 -0.722 -14.505 1.00 0.00 N ATOM 323 CA GLY A 20 5.352 -1.018 -14.060 1.00 0.00 C ATOM 324 C GLY A 20 4.385 0.149 -14.259 1.00 0.00 C ATOM 325 O GLY A 20 3.200 0.000 -13.953 1.00 0.00 O ATOM 0 H GLY A 20 6.860 -0.906 -15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.980 -1.886 -14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.373 -1.288 -13.004 1.00 0.00 H new ATOM 329 N ALA A 21 4.858 1.302 -14.747 1.00 0.00 N ATOM 330 CA ALA A 21 3.982 2.426 -15.075 1.00 0.00 C ATOM 331 C ALA A 21 3.023 2.077 -16.214 1.00 0.00 C ATOM 332 O ALA A 21 3.253 1.139 -16.982 1.00 0.00 O ATOM 333 CB ALA A 21 4.787 3.690 -15.414 1.00 0.00 C ATOM 0 H ALA A 21 5.847 1.478 -14.923 1.00 0.00 H new ATOM 0 HA ALA A 21 3.387 2.635 -14.186 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.103 4.504 -15.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.401 3.971 -14.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.429 3.493 -16.272 1.00 0.00 H new ATOM 339 N ILE A 22 1.974 2.889 -16.345 1.00 0.00 N ATOM 340 CA ILE A 22 0.917 2.745 -17.338 1.00 0.00 C ATOM 341 C ILE A 22 0.669 4.113 -17.982 1.00 0.00 C ATOM 342 O ILE A 22 0.711 5.135 -17.295 1.00 0.00 O ATOM 343 CB ILE A 22 -0.348 2.137 -16.681 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.825 2.906 -15.423 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.098 0.651 -16.358 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.148 2.392 -14.841 1.00 0.00 C ATOM 0 H ILE A 22 1.835 3.696 -15.737 1.00 0.00 H new ATOM 0 HA ILE A 22 1.209 2.053 -18.128 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.159 2.228 -17.403 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.053 2.841 -14.656 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.936 3.961 -15.675 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.988 0.224 -15.896 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.127 0.112 -17.278 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.744 0.565 -15.671 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.413 2.982 -13.963 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.935 2.482 -15.590 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.038 1.346 -14.555 1.00 0.00 H new ATOM 358 N ASN A 23 0.467 4.137 -19.304 1.00 0.00 N ATOM 359 CA ASN A 23 0.304 5.370 -20.074 1.00 0.00 C ATOM 360 C ASN A 23 -1.116 5.909 -19.905 1.00 0.00 C ATOM 361 O ASN A 23 -2.072 5.277 -20.361 1.00 0.00 O ATOM 362 CB ASN A 23 0.604 5.127 -21.563 1.00 0.00 C ATOM 363 CG ASN A 23 0.309 6.385 -22.376 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.650 6.441 -23.137 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.105 7.422 -22.200 1.00 0.00 N ATOM 0 H ASN A 23 0.412 3.292 -19.873 1.00 0.00 H new ATOM 0 HA ASN A 23 1.013 6.108 -19.697 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.648 4.842 -21.688 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.000 4.298 -21.932 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.928 8.292 -22.702 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.898 7.354 -21.562 1.00 0.00 H new ATOM 372 N ILE A 24 -1.249 7.081 -19.285 1.00 0.00 N ATOM 373 CA ILE A 24 -2.503 7.808 -19.098 1.00 0.00 C ATOM 374 C ILE A 24 -2.199 9.302 -19.326 1.00 0.00 C ATOM 375 O ILE A 24 -1.959 10.024 -18.358 1.00 0.00 O ATOM 376 CB ILE A 24 -3.134 7.537 -17.708 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.188 6.036 -17.341 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.544 8.148 -17.693 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.893 5.746 -16.013 1.00 0.00 C ATOM 0 H ILE A 24 -0.450 7.571 -18.882 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.250 7.466 -19.814 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.500 8.000 -16.953 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.699 5.496 -18.138 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.171 5.647 -17.293 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.008 7.969 -16.723 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.477 9.221 -17.871 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.148 7.688 -18.475 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.890 4.672 -15.826 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.370 6.257 -15.204 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.922 6.103 -16.062 1.00 0.00 H new ATOM 391 N PRO A 25 -2.133 9.769 -20.587 1.00 0.00 N ATOM 392 CA PRO A 25 -1.712 11.123 -20.928 1.00 0.00 C ATOM 393 C PRO A 25 -2.478 12.216 -20.178 1.00 0.00 C ATOM 394 O PRO A 25 -3.653 12.055 -19.836 1.00 0.00 O ATOM 395 CB PRO A 25 -1.911 11.256 -22.442 1.00 0.00 C ATOM 396 CG PRO A 25 -1.802 9.817 -22.937 1.00 0.00 C ATOM 397 CD PRO A 25 -2.441 9.029 -21.799 1.00 0.00 C ATOM 0 HA PRO A 25 -0.674 11.267 -20.630 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.880 11.692 -22.684 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.152 11.895 -22.893 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.330 9.671 -23.879 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.766 9.522 -23.103 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.518 8.940 -21.941 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.041 8.016 -21.751 1.00 0.00 H new ATOM 405 N LEU A 26 -1.831 13.373 -20.025 1.00 0.00 N ATOM 406 CA LEU A 26 -2.359 14.580 -19.389 1.00 0.00 C ATOM 407 C LEU A 26 -3.765 14.951 -19.879 1.00 0.00 C ATOM 408 O LEU A 26 -4.591 15.408 -19.091 1.00 0.00 O ATOM 409 CB LEU A 26 -1.361 15.724 -19.664 1.00 0.00 C ATOM 410 CG LEU A 26 -1.695 17.059 -18.970 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.537 16.940 -17.454 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.758 18.162 -19.473 1.00 0.00 C ATOM 0 H LEU A 26 -0.875 13.499 -20.359 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.464 14.398 -18.319 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.368 15.405 -19.346 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.312 15.893 -20.740 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.730 17.308 -19.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.778 17.895 -16.987 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.211 16.171 -17.077 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.508 16.669 -17.216 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.002 19.101 -18.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.274 17.892 -19.251 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.879 18.279 -20.550 1.00 0.00 H new ATOM 424 N LYS A 27 -4.053 14.733 -21.168 1.00 0.00 N ATOM 425 CA LYS A 27 -5.346 15.052 -21.780 1.00 0.00 C ATOM 426 C LYS A 27 -6.495 14.188 -21.245 1.00 0.00 C ATOM 427 O LYS A 27 -7.654 14.561 -21.431 1.00 0.00 O ATOM 428 CB LYS A 27 -5.257 14.902 -23.310 1.00 0.00 C ATOM 429 CG LYS A 27 -4.253 15.880 -23.946 1.00 0.00 C ATOM 430 CD LYS A 27 -4.161 15.738 -25.476 1.00 0.00 C ATOM 431 CE LYS A 27 -5.459 16.063 -26.236 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.854 17.492 -26.132 1.00 0.00 N ATOM 0 H LYS A 27 -3.385 14.325 -21.822 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.570 16.085 -21.513 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.967 13.880 -23.554 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.243 15.066 -23.745 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.542 16.901 -23.698 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.267 15.714 -23.511 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.370 16.394 -25.840 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.864 14.717 -25.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.332 15.803 -27.287 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.265 15.440 -25.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.734 17.648 -26.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.004 17.739 -25.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.100 18.090 -26.527 1.00 0.00 H new ATOM 446 N GLU A 28 -6.209 13.050 -20.607 1.00 0.00 N ATOM 447 CA GLU A 28 -7.206 12.037 -20.253 1.00 0.00 C ATOM 448 C GLU A 28 -7.145 11.659 -18.768 1.00 0.00 C ATOM 449 O GLU A 28 -8.107 11.096 -18.238 1.00 0.00 O ATOM 450 CB GLU A 28 -6.983 10.779 -21.103 1.00 0.00 C ATOM 451 CG GLU A 28 -6.920 11.013 -22.620 1.00 0.00 C ATOM 452 CD GLU A 28 -6.864 9.687 -23.400 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.136 8.758 -22.981 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.546 9.570 -24.445 1.00 0.00 O ATOM 0 H GLU A 28 -5.263 12.803 -20.317 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.190 12.463 -20.449 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.053 10.307 -20.786 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.786 10.073 -20.894 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.793 11.584 -22.936 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.042 11.613 -22.859 1.00 0.00 H new ATOM 461 N VAL A 29 -6.038 11.979 -18.087 1.00 0.00 N ATOM 462 CA VAL A 29 -5.793 11.659 -16.680 1.00 0.00 C ATOM 463 C VAL A 29 -6.969 12.053 -15.768 1.00 0.00 C ATOM 464 O VAL A 29 -7.257 11.342 -14.806 1.00 0.00 O ATOM 465 CB VAL A 29 -4.430 12.270 -16.252 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.498 13.767 -15.913 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.828 11.494 -15.075 1.00 0.00 C ATOM 0 H VAL A 29 -5.264 12.485 -18.517 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.726 10.577 -16.563 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.783 12.178 -17.124 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.508 14.120 -15.624 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.840 14.323 -16.786 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.194 13.922 -15.088 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.874 11.941 -14.794 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.511 11.533 -14.226 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.670 10.456 -15.367 1.00 0.00 H new ATOM 477 N LYS A 30 -7.687 13.139 -16.094 1.00 0.00 N ATOM 478 CA LYS A 30 -8.802 13.658 -15.298 1.00 0.00 C ATOM 479 C LYS A 30 -9.939 12.648 -15.138 1.00 0.00 C ATOM 480 O LYS A 30 -10.687 12.744 -14.168 1.00 0.00 O ATOM 481 CB LYS A 30 -9.326 14.963 -15.926 1.00 0.00 C ATOM 482 CG LYS A 30 -10.045 15.846 -14.890 1.00 0.00 C ATOM 483 CD LYS A 30 -10.377 17.231 -15.461 1.00 0.00 C ATOM 484 CE LYS A 30 -10.739 18.197 -14.323 1.00 0.00 C ATOM 485 NZ LYS A 30 -10.994 19.573 -14.811 1.00 0.00 N ATOM 0 H LYS A 30 -7.503 13.688 -16.934 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.420 13.856 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.494 15.517 -16.361 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.011 14.726 -16.740 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.963 15.355 -14.568 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.416 15.957 -14.007 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.524 17.617 -16.019 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.208 17.154 -16.162 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.624 17.828 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.928 18.217 -13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.899 20.244 -14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.306 19.811 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.957 19.631 -15.200 1.00 0.00 H new ATOM 499 N GLU A 31 -10.084 11.695 -16.062 1.00 0.00 N ATOM 500 CA GLU A 31 -11.196 10.747 -16.066 1.00 0.00 C ATOM 501 C GLU A 31 -10.673 9.313 -16.013 1.00 0.00 C ATOM 502 O GLU A 31 -11.193 8.501 -15.245 1.00 0.00 O ATOM 503 CB GLU A 31 -12.076 10.969 -17.307 1.00 0.00 C ATOM 504 CG GLU A 31 -12.784 12.333 -17.289 1.00 0.00 C ATOM 505 CD GLU A 31 -13.734 12.490 -18.490 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.305 12.987 -19.556 1.00 0.00 O ATOM 507 OE2 GLU A 31 -14.930 12.136 -18.377 1.00 0.00 O ATOM 0 H GLU A 31 -9.428 11.560 -16.832 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.808 10.915 -15.180 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.460 10.895 -18.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.822 10.177 -17.366 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.347 12.440 -16.362 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.041 13.130 -17.305 1.00 0.00 H new ATOM 514 N ARG A 32 -9.603 8.998 -16.755 1.00 0.00 N ATOM 515 CA ARG A 32 -9.024 7.651 -16.770 1.00 0.00 C ATOM 516 C ARG A 32 -8.470 7.231 -15.408 1.00 0.00 C ATOM 517 O ARG A 32 -8.287 6.036 -15.179 1.00 0.00 O ATOM 518 CB ARG A 32 -7.938 7.553 -17.849 1.00 0.00 C ATOM 519 CG ARG A 32 -8.513 7.499 -19.275 1.00 0.00 C ATOM 520 CD ARG A 32 -7.407 7.359 -20.333 1.00 0.00 C ATOM 521 NE ARG A 32 -6.690 6.073 -20.235 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.502 5.805 -20.795 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.953 6.633 -21.678 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.845 4.706 -20.446 1.00 0.00 N ATOM 0 H ARG A 32 -9.119 9.664 -17.356 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.831 6.958 -17.006 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.270 8.411 -17.764 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.336 6.662 -17.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.203 6.659 -19.357 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.089 8.404 -19.469 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.845 7.452 -21.327 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.696 8.177 -20.221 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.134 5.328 -19.698 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.437 7.492 -21.941 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.048 6.410 -22.092 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.244 4.071 -19.755 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.941 4.497 -20.869 1.00 0.00 H new ATOM 538 N ILE A 33 -8.229 8.168 -14.483 1.00 0.00 N ATOM 539 CA ILE A 33 -7.885 7.826 -13.108 1.00 0.00 C ATOM 540 C ILE A 33 -8.932 6.887 -12.490 1.00 0.00 C ATOM 541 O ILE A 33 -8.558 5.981 -11.752 1.00 0.00 O ATOM 542 CB ILE A 33 -7.659 9.110 -12.274 1.00 0.00 C ATOM 543 CG1 ILE A 33 -7.188 8.818 -10.831 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.906 10.019 -12.224 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.830 8.110 -10.759 1.00 0.00 C ATOM 0 H ILE A 33 -8.267 9.170 -14.668 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.945 7.274 -13.106 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.862 9.638 -12.798 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.128 9.757 -10.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.936 8.202 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.688 10.903 -11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.176 10.323 -13.235 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.736 9.473 -11.776 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.564 7.938 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.890 7.155 -11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.069 8.733 -11.229 1.00 0.00 H new ATOM 557 N ALA A 34 -10.225 7.065 -12.796 1.00 0.00 N ATOM 558 CA ALA A 34 -11.292 6.307 -12.154 1.00 0.00 C ATOM 559 C ALA A 34 -11.222 4.822 -12.516 1.00 0.00 C ATOM 560 O ALA A 34 -11.429 3.970 -11.652 1.00 0.00 O ATOM 561 CB ALA A 34 -12.651 6.893 -12.554 1.00 0.00 C ATOM 0 H ALA A 34 -10.552 7.735 -13.492 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.167 6.386 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.448 6.325 -12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.706 7.935 -12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.767 6.836 -13.636 1.00 0.00 H new ATOM 567 N THR A 35 -10.929 4.501 -13.777 1.00 0.00 N ATOM 568 CA THR A 35 -10.817 3.127 -14.241 1.00 0.00 C ATOM 569 C THR A 35 -9.455 2.541 -13.849 1.00 0.00 C ATOM 570 O THR A 35 -9.383 1.375 -13.453 1.00 0.00 O ATOM 571 CB THR A 35 -11.063 3.093 -15.762 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.456 4.204 -16.403 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.564 3.157 -16.065 1.00 0.00 C ATOM 0 H THR A 35 -10.763 5.195 -14.506 1.00 0.00 H new ATOM 0 HA THR A 35 -11.571 2.501 -13.764 1.00 0.00 H new ATOM 0 HB THR A 35 -10.632 2.163 -16.133 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.625 4.158 -17.367 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.719 3.132 -17.144 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.064 2.304 -15.607 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.978 4.081 -15.660 1.00 0.00 H new ATOM 581 N ALA A 36 -8.381 3.338 -13.915 1.00 0.00 N ATOM 582 CA ALA A 36 -7.035 2.884 -13.587 1.00 0.00 C ATOM 583 C ALA A 36 -6.868 2.600 -12.090 1.00 0.00 C ATOM 584 O ALA A 36 -6.198 1.633 -11.727 1.00 0.00 O ATOM 585 CB ALA A 36 -6.022 3.937 -14.035 1.00 0.00 C ATOM 0 H ALA A 36 -8.427 4.317 -14.199 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.861 1.946 -14.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.015 3.600 -13.791 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.104 4.086 -15.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.224 4.878 -13.522 1.00 0.00 H new ATOM 591 N VAL A 37 -7.469 3.425 -11.227 1.00 0.00 N ATOM 592 CA VAL A 37 -7.320 3.366 -9.777 1.00 0.00 C ATOM 593 C VAL A 37 -8.708 3.593 -9.147 1.00 0.00 C ATOM 594 O VAL A 37 -9.048 4.722 -8.785 1.00 0.00 O ATOM 595 CB VAL A 37 -6.231 4.333 -9.277 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.879 4.025 -7.814 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.930 4.311 -10.100 1.00 0.00 C ATOM 0 H VAL A 37 -8.091 4.174 -11.532 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.964 2.384 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.664 5.327 -9.387 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.108 4.715 -7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.768 4.138 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.511 3.002 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.220 5.022 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.500 3.310 -10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.148 4.586 -11.132 1.00 0.00 H new ATOM 607 N PRO A 38 -9.543 2.539 -9.038 1.00 0.00 N ATOM 608 CA PRO A 38 -10.886 2.625 -8.463 1.00 0.00 C ATOM 609 C PRO A 38 -10.950 3.193 -7.036 1.00 0.00 C ATOM 610 O PRO A 38 -12.008 3.676 -6.627 1.00 0.00 O ATOM 611 CB PRO A 38 -11.448 1.201 -8.504 1.00 0.00 C ATOM 612 CG PRO A 38 -10.684 0.545 -9.650 1.00 0.00 C ATOM 613 CD PRO A 38 -9.308 1.198 -9.556 1.00 0.00 C ATOM 0 HA PRO A 38 -11.471 3.336 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.284 0.678 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.523 1.199 -8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.627 -0.537 -9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.157 0.736 -10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.651 0.633 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.824 1.234 -10.532 1.00 0.00 H new ATOM 621 N ASP A 39 -9.846 3.158 -6.279 1.00 0.00 N ATOM 622 CA ASP A 39 -9.742 3.730 -4.938 1.00 0.00 C ATOM 623 C ASP A 39 -8.472 4.571 -4.863 1.00 0.00 C ATOM 624 O ASP A 39 -7.375 4.057 -4.643 1.00 0.00 O ATOM 625 CB ASP A 39 -9.758 2.643 -3.855 1.00 0.00 C ATOM 626 CG ASP A 39 -9.490 3.232 -2.456 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.685 4.451 -2.249 1.00 0.00 O ATOM 628 OD2 ASP A 39 -9.107 2.458 -1.549 1.00 0.00 O ATOM 0 H ASP A 39 -8.981 2.719 -6.594 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.609 4.363 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.724 2.139 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.004 1.890 -4.084 1.00 0.00 H new ATOM 633 N LYS A 40 -8.624 5.879 -5.085 1.00 0.00 N ATOM 634 CA LYS A 40 -7.521 6.839 -5.175 1.00 0.00 C ATOM 635 C LYS A 40 -6.762 7.016 -3.852 1.00 0.00 C ATOM 636 O LYS A 40 -5.767 7.742 -3.836 1.00 0.00 O ATOM 637 CB LYS A 40 -8.042 8.199 -5.681 1.00 0.00 C ATOM 638 CG LYS A 40 -8.843 8.098 -6.991 1.00 0.00 C ATOM 639 CD LYS A 40 -9.260 9.486 -7.499 1.00 0.00 C ATOM 640 CE LYS A 40 -10.279 9.389 -8.645 1.00 0.00 C ATOM 641 NZ LYS A 40 -11.644 9.025 -8.174 1.00 0.00 N ATOM 0 H LYS A 40 -9.540 6.310 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.806 6.429 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.672 8.647 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.197 8.870 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.242 7.596 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.730 7.485 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.689 10.060 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.378 10.028 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.323 10.344 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.938 8.646 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.290 8.974 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.612 8.101 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.985 9.746 -7.507 1.00 0.00 H new ATOM 655 N ASN A 41 -7.218 6.400 -2.750 1.00 0.00 N ATOM 656 CA ASN A 41 -6.457 6.351 -1.503 1.00 0.00 C ATOM 657 C ASN A 41 -5.244 5.422 -1.633 1.00 0.00 C ATOM 658 O ASN A 41 -4.295 5.547 -0.857 1.00 0.00 O ATOM 659 CB ASN A 41 -7.348 5.896 -0.340 1.00 0.00 C ATOM 660 CG ASN A 41 -6.591 5.895 0.986 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.267 4.843 1.530 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.306 7.063 1.542 1.00 0.00 N ATOM 0 H ASN A 41 -8.120 5.926 -2.703 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.097 7.359 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.213 6.555 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.728 4.895 -0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.811 7.096 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.581 7.929 1.079 1.00 0.00 H new ATOM 669 N ASP A 42 -5.244 4.484 -2.587 1.00 0.00 N ATOM 670 CA ASP A 42 -4.025 3.752 -2.925 1.00 0.00 C ATOM 671 C ASP A 42 -3.034 4.734 -3.558 1.00 0.00 C ATOM 672 O ASP A 42 -3.454 5.690 -4.209 1.00 0.00 O ATOM 673 CB ASP A 42 -4.310 2.606 -3.894 1.00 0.00 C ATOM 674 CG ASP A 42 -3.033 1.790 -4.108 1.00 0.00 C ATOM 675 OD1 ASP A 42 -2.564 1.179 -3.122 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.505 1.770 -5.240 1.00 0.00 O ATOM 0 H ASP A 42 -6.065 4.218 -3.131 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.609 3.316 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.100 1.968 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.666 3.000 -4.846 1.00 0.00 H new ATOM 681 N THR A 43 -1.734 4.533 -3.358 1.00 0.00 N ATOM 682 CA THR A 43 -0.717 5.493 -3.775 1.00 0.00 C ATOM 683 C THR A 43 -0.740 5.643 -5.303 1.00 0.00 C ATOM 684 O THR A 43 -0.599 4.646 -6.014 1.00 0.00 O ATOM 685 CB THR A 43 0.671 5.024 -3.294 1.00 0.00 C ATOM 686 OG1 THR A 43 0.611 4.358 -2.045 1.00 0.00 O ATOM 687 CG2 THR A 43 1.662 6.187 -3.204 1.00 0.00 C ATOM 0 H THR A 43 -1.357 3.702 -2.903 1.00 0.00 H new ATOM 0 HA THR A 43 -0.929 6.464 -3.328 1.00 0.00 H new ATOM 0 HB THR A 43 1.023 4.315 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.512 4.077 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.628 5.816 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.776 6.644 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.288 6.930 -2.499 1.00 0.00 H new ATOM 695 N VAL A 44 -0.838 6.869 -5.822 1.00 0.00 N ATOM 696 CA VAL A 44 -0.741 7.136 -7.256 1.00 0.00 C ATOM 697 C VAL A 44 0.442 8.077 -7.448 1.00 0.00 C ATOM 698 O VAL A 44 0.593 9.038 -6.694 1.00 0.00 O ATOM 699 CB VAL A 44 -2.057 7.715 -7.816 1.00 0.00 C ATOM 700 CG1 VAL A 44 -2.013 7.816 -9.348 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.279 6.875 -7.425 1.00 0.00 C ATOM 0 H VAL A 44 -0.987 7.705 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.579 6.215 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.155 8.708 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.954 8.227 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.192 8.468 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.861 6.824 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.179 7.325 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.165 5.863 -7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.363 6.839 -6.339 1.00 0.00 H new ATOM 711 N LYS A 45 1.290 7.800 -8.440 1.00 0.00 N ATOM 712 CA LYS A 45 2.556 8.499 -8.638 1.00 0.00 C ATOM 713 C LYS A 45 2.652 8.920 -10.093 1.00 0.00 C ATOM 714 O LYS A 45 2.907 8.076 -10.951 1.00 0.00 O ATOM 715 CB LYS A 45 3.720 7.587 -8.218 1.00 0.00 C ATOM 716 CG LYS A 45 3.943 7.630 -6.699 1.00 0.00 C ATOM 717 CD LYS A 45 5.111 6.724 -6.296 1.00 0.00 C ATOM 718 CE LYS A 45 5.379 6.822 -4.790 1.00 0.00 C ATOM 719 NZ LYS A 45 6.472 5.913 -4.371 1.00 0.00 N ATOM 0 H LYS A 45 1.113 7.075 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 45 2.609 9.394 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.513 6.563 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.631 7.897 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.146 8.654 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.036 7.313 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.886 5.692 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.006 7.009 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.639 7.849 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.470 6.576 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.570 5.942 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.250 4.942 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.364 6.216 -4.812 1.00 0.00 H new ATOM 733 N VAL A 46 2.423 10.200 -10.384 1.00 0.00 N ATOM 734 CA VAL A 46 2.477 10.710 -11.752 1.00 0.00 C ATOM 735 C VAL A 46 3.904 11.185 -12.055 1.00 0.00 C ATOM 736 O VAL A 46 4.497 11.916 -11.249 1.00 0.00 O ATOM 737 CB VAL A 46 1.394 11.795 -11.981 1.00 0.00 C ATOM 738 CG1 VAL A 46 -0.018 11.201 -11.845 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.469 13.008 -11.041 1.00 0.00 C ATOM 0 H VAL A 46 2.197 10.907 -9.684 1.00 0.00 H new ATOM 0 HA VAL A 46 2.243 9.917 -12.462 1.00 0.00 H new ATOM 0 HB VAL A 46 1.597 12.149 -12.992 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.759 11.983 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.153 10.411 -12.584 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.144 10.787 -10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.669 13.707 -11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.359 12.676 -10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.432 13.503 -11.162 1.00 0.00 H new ATOM 749 N TYR A 47 4.435 10.812 -13.225 1.00 0.00 N ATOM 750 CA TYR A 47 5.681 11.319 -13.791 1.00 0.00 C ATOM 751 C TYR A 47 5.491 11.504 -15.306 1.00 0.00 C ATOM 752 O TYR A 47 4.606 10.896 -15.915 1.00 0.00 O ATOM 753 CB TYR A 47 6.874 10.396 -13.471 1.00 0.00 C ATOM 754 CG TYR A 47 7.015 9.239 -14.437 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.186 8.111 -14.309 1.00 0.00 C ATOM 756 CD2 TYR A 47 7.895 9.347 -15.530 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.218 7.104 -15.286 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.935 8.340 -16.505 1.00 0.00 C ATOM 759 CZ TYR A 47 7.091 7.221 -16.389 1.00 0.00 C ATOM 760 OH TYR A 47 7.124 6.276 -17.366 1.00 0.00 O ATOM 0 H TYR A 47 3.986 10.120 -13.825 1.00 0.00 H new ATOM 0 HA TYR A 47 5.918 12.281 -13.337 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.792 10.984 -13.483 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.760 10.004 -12.460 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.525 8.019 -13.460 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.541 10.208 -15.618 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.576 6.241 -15.194 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.612 8.423 -17.342 1.00 0.00 H new ATOM 0 HH TYR A 47 6.461 5.581 -17.171 1.00 0.00 H new ATOM 770 N CYS A 48 6.324 12.345 -15.918 1.00 0.00 N ATOM 771 CA CYS A 48 6.367 12.585 -17.356 1.00 0.00 C ATOM 772 C CYS A 48 7.830 12.809 -17.746 1.00 0.00 C ATOM 773 O CYS A 48 8.709 12.747 -16.888 1.00 0.00 O ATOM 774 CB CYS A 48 5.484 13.799 -17.704 1.00 0.00 C ATOM 775 SG CYS A 48 6.257 15.331 -17.113 1.00 0.00 S ATOM 0 H CYS A 48 7.012 12.897 -15.405 1.00 0.00 H new ATOM 0 HA CYS A 48 5.976 11.734 -17.915 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.335 13.852 -18.782 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.499 13.683 -17.251 1.00 0.00 H new ATOM 0 HG CYS A 48 6.346 15.300 -15.816 1.00 0.00 H new ATOM 781 N ASN A 49 8.105 13.139 -19.008 1.00 0.00 N ATOM 782 CA ASN A 49 9.470 13.365 -19.491 1.00 0.00 C ATOM 783 C ASN A 49 10.239 14.451 -18.715 1.00 0.00 C ATOM 784 O ASN A 49 11.456 14.327 -18.575 1.00 0.00 O ATOM 785 CB ASN A 49 9.433 13.728 -20.986 1.00 0.00 C ATOM 786 CG ASN A 49 10.847 13.884 -21.549 1.00 0.00 C ATOM 787 OD1 ASN A 49 11.617 12.930 -21.589 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.215 15.072 -22.001 1.00 0.00 N ATOM 0 H ASN A 49 7.389 13.257 -19.725 1.00 0.00 H new ATOM 0 HA ASN A 49 10.011 12.433 -19.327 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.901 12.953 -21.539 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.878 14.656 -21.125 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.149 15.203 -22.389 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.564 15.857 -21.962 1.00 0.00 H new ATOM 795 N ALA A 50 9.562 15.491 -18.199 1.00 0.00 N ATOM 796 CA ALA A 50 10.223 16.696 -17.675 1.00 0.00 C ATOM 797 C ALA A 50 9.722 17.177 -16.299 1.00 0.00 C ATOM 798 O ALA A 50 10.110 18.261 -15.861 1.00 0.00 O ATOM 799 CB ALA A 50 10.090 17.806 -18.728 1.00 0.00 C ATOM 0 H ALA A 50 8.544 15.519 -18.134 1.00 0.00 H new ATOM 0 HA ALA A 50 11.266 16.435 -17.494 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.573 18.713 -18.364 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.568 17.488 -19.655 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.035 18.006 -18.914 1.00 0.00 H new ATOM 805 N GLY A 51 8.859 16.425 -15.608 1.00 0.00 N ATOM 806 CA GLY A 51 8.383 16.729 -14.256 1.00 0.00 C ATOM 807 C GLY A 51 7.269 17.777 -14.225 1.00 0.00 C ATOM 808 O GLY A 51 6.295 17.624 -13.488 1.00 0.00 O ATOM 0 H GLY A 51 8.462 15.564 -15.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.022 15.812 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.221 17.082 -13.655 1.00 0.00 H new ATOM 812 N ARG A 52 7.360 18.826 -15.050 1.00 0.00 N ATOM 813 CA ARG A 52 6.356 19.886 -15.111 1.00 0.00 C ATOM 814 C ARG A 52 4.997 19.315 -15.483 1.00 0.00 C ATOM 815 O ARG A 52 4.016 19.647 -14.819 1.00 0.00 O ATOM 816 CB ARG A 52 6.815 20.988 -16.090 1.00 0.00 C ATOM 817 CG ARG A 52 5.800 22.108 -16.411 1.00 0.00 C ATOM 818 CD ARG A 52 5.379 23.005 -15.231 1.00 0.00 C ATOM 819 NE ARG A 52 4.283 22.418 -14.436 1.00 0.00 N ATOM 820 CZ ARG A 52 3.381 23.069 -13.690 1.00 0.00 C ATOM 821 NH1 ARG A 52 3.443 24.385 -13.523 1.00 0.00 N ATOM 822 NH2 ARG A 52 2.408 22.369 -13.119 1.00 0.00 N ATOM 0 H ARG A 52 8.138 18.961 -15.696 1.00 0.00 H new ATOM 0 HA ARG A 52 6.250 20.341 -14.126 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.713 21.451 -15.682 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.101 20.511 -17.027 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.225 22.743 -17.189 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.904 21.649 -16.829 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.240 23.177 -14.585 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.067 23.977 -15.612 1.00 0.00 H new ATOM 0 HE ARG A 52 4.203 21.401 -14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.189 24.921 -13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.745 24.860 -12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.360 21.359 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.709 22.841 -12.546 1.00 0.00 H new ATOM 836 N GLN A 53 4.907 18.481 -16.518 1.00 0.00 N ATOM 837 CA GLN A 53 3.603 18.029 -16.997 1.00 0.00 C ATOM 838 C GLN A 53 2.991 16.989 -16.059 1.00 0.00 C ATOM 839 O GLN A 53 1.770 16.901 -15.966 1.00 0.00 O ATOM 840 CB GLN A 53 3.664 17.561 -18.456 1.00 0.00 C ATOM 841 CG GLN A 53 4.299 18.631 -19.364 1.00 0.00 C ATOM 842 CD GLN A 53 3.715 18.600 -20.770 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.304 18.038 -21.692 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.551 19.202 -20.953 1.00 0.00 N ATOM 0 H GLN A 53 5.706 18.110 -17.033 1.00 0.00 H new ATOM 0 HA GLN A 53 2.929 18.886 -16.985 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.241 16.639 -18.520 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.658 17.333 -18.809 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.143 19.617 -18.927 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.376 18.472 -19.414 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.085 19.660 -20.170 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.120 19.208 -21.877 1.00 0.00 H new ATOM 853 N SER A 54 3.792 16.256 -15.287 1.00 0.00 N ATOM 854 CA SER A 54 3.273 15.434 -14.206 1.00 0.00 C ATOM 855 C SER A 54 2.806 16.317 -13.051 1.00 0.00 C ATOM 856 O SER A 54 1.792 16.015 -12.426 1.00 0.00 O ATOM 857 CB SER A 54 4.295 14.378 -13.800 1.00 0.00 C ATOM 858 OG SER A 54 5.636 14.777 -14.066 1.00 0.00 O ATOM 0 H SER A 54 4.806 16.218 -15.394 1.00 0.00 H new ATOM 0 HA SER A 54 2.395 14.885 -14.546 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.188 14.166 -12.736 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.084 13.451 -14.333 1.00 0.00 H new ATOM 0 HG SER A 54 6.231 14.395 -13.388 1.00 0.00 H new ATOM 864 N GLY A 55 3.467 17.453 -12.826 1.00 0.00 N ATOM 865 CA GLY A 55 2.975 18.505 -11.954 1.00 0.00 C ATOM 866 C GLY A 55 1.584 18.960 -12.412 1.00 0.00 C ATOM 867 O GLY A 55 0.662 19.028 -11.602 1.00 0.00 O ATOM 0 H GLY A 55 4.369 17.665 -13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.928 18.144 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.664 19.349 -11.965 1.00 0.00 H new ATOM 871 N GLN A 56 1.397 19.210 -13.718 1.00 0.00 N ATOM 872 CA GLN A 56 0.094 19.589 -14.275 1.00 0.00 C ATOM 873 C GLN A 56 -0.929 18.479 -14.043 1.00 0.00 C ATOM 874 O GLN A 56 -2.044 18.761 -13.612 1.00 0.00 O ATOM 875 CB GLN A 56 0.162 19.869 -15.785 1.00 0.00 C ATOM 876 CG GLN A 56 1.074 21.033 -16.182 1.00 0.00 C ATOM 877 CD GLN A 56 1.053 21.274 -17.696 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.585 20.489 -18.479 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.438 22.354 -18.150 1.00 0.00 N ATOM 0 H GLN A 56 2.142 19.155 -14.412 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.205 20.503 -13.762 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.505 18.967 -16.292 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.845 20.075 -16.148 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.756 21.938 -15.664 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.094 20.823 -15.860 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.002 23.003 -17.497 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.404 22.538 -19.153 1.00 0.00 H new ATOM 888 N ALA A 57 -0.559 17.219 -14.294 1.00 0.00 N ATOM 889 CA ALA A 57 -1.455 16.095 -14.067 1.00 0.00 C ATOM 890 C ALA A 57 -1.860 16.014 -12.602 1.00 0.00 C ATOM 891 O ALA A 57 -3.006 15.675 -12.306 1.00 0.00 O ATOM 892 CB ALA A 57 -0.801 14.785 -14.504 1.00 0.00 C ATOM 0 H ALA A 57 0.358 16.958 -14.655 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.351 16.254 -14.667 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.488 13.958 -14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.561 14.835 -15.566 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.114 14.627 -13.933 1.00 0.00 H new ATOM 898 N LYS A 58 -0.955 16.359 -11.681 1.00 0.00 N ATOM 899 CA LYS A 58 -1.337 16.391 -10.276 1.00 0.00 C ATOM 900 C LYS A 58 -2.327 17.522 -10.053 1.00 0.00 C ATOM 901 O LYS A 58 -3.306 17.297 -9.353 1.00 0.00 O ATOM 902 CB LYS A 58 -0.152 16.459 -9.294 1.00 0.00 C ATOM 903 CG LYS A 58 -0.764 16.515 -7.882 1.00 0.00 C ATOM 904 CD LYS A 58 0.169 16.310 -6.694 1.00 0.00 C ATOM 905 CE LYS A 58 -0.704 16.252 -5.424 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.367 17.541 -5.085 1.00 0.00 N ATOM 0 H LYS A 58 0.014 16.611 -11.877 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.811 15.435 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.494 15.588 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.463 17.338 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.247 17.485 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.548 15.760 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.740 15.389 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.890 17.125 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.468 15.486 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.084 15.942 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.675 17.522 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.697 18.324 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.193 17.679 -5.701 1.00 0.00 H new ATOM 920 N GLU A 59 -2.115 18.716 -10.599 1.00 0.00 N ATOM 921 CA GLU A 59 -3.047 19.822 -10.394 1.00 0.00 C ATOM 922 C GLU A 59 -4.440 19.463 -10.938 1.00 0.00 C ATOM 923 O GLU A 59 -5.440 19.731 -10.270 1.00 0.00 O ATOM 924 CB GLU A 59 -2.499 21.111 -11.020 1.00 0.00 C ATOM 925 CG GLU A 59 -1.305 21.687 -10.241 1.00 0.00 C ATOM 926 CD GLU A 59 -0.803 23.007 -10.855 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.392 24.076 -10.571 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.200 22.994 -11.605 1.00 0.00 O ATOM 0 H GLU A 59 -1.311 18.943 -11.184 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.153 20.000 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.195 20.911 -12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.294 21.856 -11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.595 21.856 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.493 20.960 -10.230 1.00 0.00 H new ATOM 935 N ILE A 60 -4.516 18.781 -12.090 1.00 0.00 N ATOM 936 CA ILE A 60 -5.762 18.239 -12.637 1.00 0.00 C ATOM 937 C ILE A 60 -6.411 17.305 -11.608 1.00 0.00 C ATOM 938 O ILE A 60 -7.597 17.443 -11.300 1.00 0.00 O ATOM 939 CB ILE A 60 -5.480 17.522 -13.985 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.141 18.544 -15.092 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.663 16.651 -14.440 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.776 17.892 -16.434 1.00 0.00 C ATOM 0 H ILE A 60 -3.701 18.589 -12.673 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.465 19.047 -12.840 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.624 16.869 -13.816 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.994 19.206 -15.239 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.309 19.165 -14.760 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.418 16.170 -15.387 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.864 15.889 -13.687 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.547 17.276 -14.568 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.550 18.668 -17.166 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.904 17.252 -16.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.615 17.293 -16.788 1.00 0.00 H new ATOM 954 N LEU A 61 -5.651 16.346 -11.075 1.00 0.00 N ATOM 955 CA LEU A 61 -6.185 15.353 -10.148 1.00 0.00 C ATOM 956 C LEU A 61 -6.584 15.997 -8.819 1.00 0.00 C ATOM 957 O LEU A 61 -7.575 15.600 -8.206 1.00 0.00 O ATOM 958 CB LEU A 61 -5.165 14.217 -9.951 1.00 0.00 C ATOM 959 CG LEU A 61 -5.029 13.320 -11.203 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.853 12.349 -11.056 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.306 12.518 -11.473 1.00 0.00 C ATOM 0 H LEU A 61 -4.656 16.238 -11.273 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.091 14.924 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.193 14.644 -9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.467 13.605 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.851 13.987 -12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.779 11.729 -11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.929 12.913 -10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.013 11.713 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.167 11.901 -12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.522 11.878 -10.617 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.139 13.203 -11.633 1.00 0.00 H new ATOM 973 N SER A 62 -5.849 17.018 -8.387 1.00 0.00 N ATOM 974 CA SER A 62 -6.125 17.746 -7.161 1.00 0.00 C ATOM 975 C SER A 62 -7.452 18.500 -7.287 1.00 0.00 C ATOM 976 O SER A 62 -8.211 18.560 -6.319 1.00 0.00 O ATOM 977 CB SER A 62 -4.957 18.681 -6.819 1.00 0.00 C ATOM 978 OG SER A 62 -3.728 17.965 -6.776 1.00 0.00 O ATOM 0 H SER A 62 -5.033 17.365 -8.890 1.00 0.00 H new ATOM 0 HA SER A 62 -6.224 17.041 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.893 19.476 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.138 19.158 -5.856 1.00 0.00 H new ATOM 0 HG SER A 62 -3.519 17.619 -7.669 1.00 0.00 H new ATOM 984 N GLU A 63 -7.768 19.021 -8.479 1.00 0.00 N ATOM 985 CA GLU A 63 -9.064 19.623 -8.757 1.00 0.00 C ATOM 986 C GLU A 63 -10.157 18.544 -8.769 1.00 0.00 C ATOM 987 O GLU A 63 -11.199 18.736 -8.139 1.00 0.00 O ATOM 988 CB GLU A 63 -9.006 20.390 -10.090 1.00 0.00 C ATOM 989 CG GLU A 63 -10.296 21.180 -10.356 1.00 0.00 C ATOM 990 CD GLU A 63 -10.241 21.924 -11.700 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.772 23.085 -11.744 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.694 21.358 -12.720 1.00 0.00 O ATOM 0 H GLU A 63 -7.128 19.034 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.313 20.335 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.158 21.074 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.837 19.687 -10.906 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.147 20.499 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.457 21.896 -9.550 1.00 0.00 H new ATOM 999 N MET A 64 -9.939 17.419 -9.470 1.00 0.00 N ATOM 1000 CA MET A 64 -11.009 16.443 -9.689 1.00 0.00 C ATOM 1001 C MET A 64 -11.415 15.727 -8.392 1.00 0.00 C ATOM 1002 O MET A 64 -12.608 15.478 -8.201 1.00 0.00 O ATOM 1003 CB MET A 64 -10.695 15.491 -10.861 1.00 0.00 C ATOM 1004 CG MET A 64 -9.830 14.267 -10.537 1.00 0.00 C ATOM 1005 SD MET A 64 -10.631 12.873 -9.686 1.00 0.00 S ATOM 1006 CE MET A 64 -11.727 12.244 -10.988 1.00 0.00 C ATOM 0 H MET A 64 -9.043 17.169 -9.888 1.00 0.00 H new ATOM 0 HA MET A 64 -11.896 16.995 -9.999 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.639 15.140 -11.278 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.195 16.065 -11.642 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.411 13.894 -11.472 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.993 14.600 -9.923 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.746 12.178 -10.606 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.703 12.921 -11.842 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.392 11.255 -11.299 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.467 15.440 -7.486 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.772 14.841 -6.187 1.00 0.00 C ATOM 1018 C GLY A 65 -9.722 13.844 -5.695 1.00 0.00 C ATOM 1019 O GLY A 65 -10.092 12.750 -5.263 1.00 0.00 O ATOM 0 H GLY A 65 -9.474 15.617 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.876 15.636 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.736 14.335 -6.250 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.428 14.173 -5.794 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.349 13.332 -5.271 1.00 0.00 C ATOM 1025 C TYR A 66 -7.516 13.012 -3.775 1.00 0.00 C ATOM 1026 O TYR A 66 -8.154 13.766 -3.033 1.00 0.00 O ATOM 1027 CB TYR A 66 -5.973 13.983 -5.517 1.00 0.00 C ATOM 1028 CG TYR A 66 -5.468 14.984 -4.478 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -6.271 16.058 -4.040 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -4.173 14.832 -3.937 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -5.788 16.974 -3.089 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -3.687 15.734 -2.975 1.00 0.00 C ATOM 1033 CZ TYR A 66 -4.491 16.816 -2.550 1.00 0.00 C ATOM 1034 OH TYR A 66 -4.003 17.693 -1.628 1.00 0.00 O ATOM 0 H TYR A 66 -8.102 15.031 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.405 12.389 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.235 13.186 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.008 14.489 -6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.267 16.178 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.549 14.014 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.408 17.799 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.699 15.600 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.096 17.426 -1.370 1.00 0.00 H new ATOM 1044 N THR A 67 -6.852 11.944 -3.324 1.00 0.00 N ATOM 1045 CA THR A 67 -6.707 11.612 -1.906 1.00 0.00 C ATOM 1046 C THR A 67 -5.276 11.142 -1.595 1.00 0.00 C ATOM 1047 O THR A 67 -4.740 11.525 -0.553 1.00 0.00 O ATOM 1048 CB THR A 67 -7.767 10.576 -1.481 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.855 9.538 -2.434 1.00 0.00 O ATOM 1050 CG2 THR A 67 -9.164 11.187 -1.339 1.00 0.00 C ATOM 0 H THR A 67 -6.394 11.276 -3.944 1.00 0.00 H new ATOM 0 HA THR A 67 -6.880 12.513 -1.317 1.00 0.00 H new ATOM 0 HB THR A 67 -7.443 10.197 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.531 8.888 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.871 10.413 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.143 11.972 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.475 11.611 -2.294 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.618 10.393 -2.496 1.00 0.00 N ATOM 1059 CA HIS A 68 -3.237 9.926 -2.312 1.00 0.00 C ATOM 1060 C HIS A 68 -2.452 9.946 -3.638 1.00 0.00 C ATOM 1061 O HIS A 68 -1.611 9.083 -3.905 1.00 0.00 O ATOM 1062 CB HIS A 68 -3.266 8.546 -1.633 1.00 0.00 C ATOM 1063 CG HIS A 68 -1.972 8.063 -1.018 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -1.762 6.789 -0.549 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -0.822 8.771 -0.777 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -0.518 6.719 -0.050 1.00 0.00 C ATOM 1067 NE2 HIS A 68 0.098 7.913 -0.158 1.00 0.00 N ATOM 0 H HIS A 68 -5.034 10.094 -3.378 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.696 10.608 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.026 8.567 -0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.587 7.811 -2.371 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.437 6.025 -0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.654 9.809 -1.022 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.074 5.832 0.377 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.741 10.934 -4.489 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.934 11.225 -5.672 1.00 0.00 C ATOM 1077 C VAL A 69 -0.712 12.026 -5.207 1.00 0.00 C ATOM 1078 O VAL A 69 -0.836 12.922 -4.368 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.766 12.003 -6.716 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.958 12.357 -7.974 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.019 11.220 -7.155 1.00 0.00 C ATOM 0 H VAL A 69 -3.543 11.554 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.607 10.306 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.062 12.923 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.593 12.903 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.106 12.978 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.601 11.442 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.574 11.804 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.718 10.271 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.652 11.031 -6.288 1.00 0.00 H new ATOM 1091 N GLU A 70 0.448 11.746 -5.793 1.00 0.00 N ATOM 1092 CA GLU A 70 1.698 12.450 -5.572 1.00 0.00 C ATOM 1093 C GLU A 70 2.384 12.599 -6.933 1.00 0.00 C ATOM 1094 O GLU A 70 2.285 11.718 -7.790 1.00 0.00 O ATOM 1095 CB GLU A 70 2.545 11.635 -4.576 1.00 0.00 C ATOM 1096 CG GLU A 70 3.881 12.308 -4.232 1.00 0.00 C ATOM 1097 CD GLU A 70 4.628 11.546 -3.123 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.402 10.613 -3.435 1.00 0.00 O ATOM 1099 OE2 GLU A 70 4.468 11.888 -1.929 1.00 0.00 O ATOM 0 H GLU A 70 0.542 10.985 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 70 1.550 13.442 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.974 11.485 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.739 10.648 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.505 12.358 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.701 13.334 -3.912 1.00 0.00 H new ATOM 1106 N ASN A 71 3.079 13.717 -7.151 1.00 0.00 N ATOM 1107 CA ASN A 71 3.961 13.864 -8.301 1.00 0.00 C ATOM 1108 C ASN A 71 5.317 13.302 -7.887 1.00 0.00 C ATOM 1109 O ASN A 71 6.027 13.929 -7.099 1.00 0.00 O ATOM 1110 CB ASN A 71 4.061 15.331 -8.748 1.00 0.00 C ATOM 1111 CG ASN A 71 5.241 15.558 -9.692 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.000 16.507 -9.529 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.443 14.698 -10.679 1.00 0.00 N ATOM 0 H ASN A 71 3.045 14.534 -6.542 1.00 0.00 H new ATOM 0 HA ASN A 71 3.571 13.321 -9.162 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.136 15.623 -9.246 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.168 15.971 -7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.235 14.823 -11.310 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.807 13.911 -10.808 1.00 0.00 H new ATOM 1120 N ALA A 72 5.657 12.111 -8.388 1.00 0.00 N ATOM 1121 CA ALA A 72 6.924 11.460 -8.069 1.00 0.00 C ATOM 1122 C ALA A 72 8.114 12.265 -8.606 1.00 0.00 C ATOM 1123 O ALA A 72 9.175 12.278 -7.981 1.00 0.00 O ATOM 1124 CB ALA A 72 6.931 10.039 -8.639 1.00 0.00 C ATOM 0 H ALA A 72 5.063 11.576 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 72 7.025 11.411 -6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.878 9.556 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.111 9.468 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.809 10.081 -9.721 1.00 0.00 H new ATOM 1130 N GLY A 73 7.938 12.937 -9.747 1.00 0.00 N ATOM 1131 CA GLY A 73 8.945 13.772 -10.378 1.00 0.00 C ATOM 1132 C GLY A 73 8.735 13.723 -11.879 1.00 0.00 C ATOM 1133 O GLY A 73 7.596 13.775 -12.355 1.00 0.00 O ATOM 0 H GLY A 73 7.061 12.909 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.867 14.798 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.944 13.419 -10.123 1.00 0.00 H new ATOM 1137 N GLY A 74 9.833 13.587 -12.612 1.00 0.00 N ATOM 1138 CA GLY A 74 9.849 13.296 -14.033 1.00 0.00 C ATOM 1139 C GLY A 74 10.781 12.115 -14.268 1.00 0.00 C ATOM 1140 O GLY A 74 11.497 11.691 -13.360 1.00 0.00 O ATOM 0 H GLY A 74 10.768 13.680 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.844 13.062 -14.384 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.189 14.166 -14.595 1.00 0.00 H new ATOM 1144 N LEU A 75 10.788 11.573 -15.483 1.00 0.00 N ATOM 1145 CA LEU A 75 11.552 10.376 -15.834 1.00 0.00 C ATOM 1146 C LEU A 75 13.044 10.629 -15.619 1.00 0.00 C ATOM 1147 O LEU A 75 13.756 9.776 -15.091 1.00 0.00 O ATOM 1148 CB LEU A 75 11.247 10.020 -17.306 1.00 0.00 C ATOM 1149 CG LEU A 75 11.837 8.710 -17.877 1.00 0.00 C ATOM 1150 CD1 LEU A 75 13.313 8.835 -18.279 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.635 7.511 -16.942 1.00 0.00 C ATOM 0 H LEU A 75 10.256 11.957 -16.264 1.00 0.00 H new ATOM 0 HA LEU A 75 11.267 9.538 -15.198 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.164 9.975 -17.420 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.599 10.843 -17.928 1.00 0.00 H new ATOM 0 HG LEU A 75 11.268 8.523 -18.788 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.665 7.881 -18.672 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.418 9.604 -19.045 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.906 9.109 -17.406 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.069 6.619 -17.395 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.123 7.708 -15.987 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.569 7.353 -16.779 1.00 0.00 H new ATOM 1163 N LYS A 76 13.502 11.832 -15.977 1.00 0.00 N ATOM 1164 CA LYS A 76 14.874 12.296 -15.784 1.00 0.00 C ATOM 1165 C LYS A 76 15.254 12.501 -14.310 1.00 0.00 C ATOM 1166 O LYS A 76 16.402 12.856 -14.040 1.00 0.00 O ATOM 1167 CB LYS A 76 15.090 13.583 -16.607 1.00 0.00 C ATOM 1168 CG LYS A 76 14.245 14.779 -16.121 1.00 0.00 C ATOM 1169 CD LYS A 76 14.389 16.021 -17.015 1.00 0.00 C ATOM 1170 CE LYS A 76 15.819 16.586 -16.999 1.00 0.00 C ATOM 1171 NZ LYS A 76 15.945 17.821 -17.814 1.00 0.00 N ATOM 0 H LYS A 76 12.907 12.530 -16.423 1.00 0.00 H new ATOM 0 HA LYS A 76 15.541 11.510 -16.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.145 13.855 -16.569 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.851 13.381 -17.651 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.196 14.484 -16.085 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.540 15.035 -15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.113 15.764 -18.038 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.693 16.790 -16.681 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.111 16.800 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.510 15.832 -17.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.926 18.165 -17.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.692 17.613 -18.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.306 18.551 -17.439 1.00 0.00 H new ATOM 1185 N ASP A 77 14.325 12.324 -13.364 1.00 0.00 N ATOM 1186 CA ASP A 77 14.509 12.691 -11.961 1.00 0.00 C ATOM 1187 C ASP A 77 14.203 11.530 -11.014 1.00 0.00 C ATOM 1188 O ASP A 77 14.931 11.366 -10.034 1.00 0.00 O ATOM 1189 CB ASP A 77 13.637 13.904 -11.622 1.00 0.00 C ATOM 1190 CG ASP A 77 13.780 14.289 -10.140 1.00 0.00 C ATOM 1191 OD1 ASP A 77 14.822 14.869 -9.760 1.00 0.00 O ATOM 1192 OD2 ASP A 77 12.835 14.044 -9.359 1.00 0.00 O ATOM 0 H ASP A 77 13.411 11.915 -13.558 1.00 0.00 H new ATOM 0 HA ASP A 77 15.559 12.947 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.922 14.748 -12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.594 13.680 -11.844 1.00 0.00 H new ATOM 1197 N ILE A 78 13.192 10.693 -11.296 1.00 0.00 N ATOM 1198 CA ILE A 78 12.940 9.487 -10.504 1.00 0.00 C ATOM 1199 C ILE A 78 14.168 8.563 -10.524 1.00 0.00 C ATOM 1200 O ILE A 78 14.831 8.414 -11.555 1.00 0.00 O ATOM 1201 CB ILE A 78 11.663 8.818 -11.045 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.471 9.727 -10.688 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.411 7.403 -10.494 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.300 9.500 -11.624 1.00 0.00 C ATOM 0 H ILE A 78 12.538 10.832 -12.067 1.00 0.00 H new ATOM 0 HA ILE A 78 12.776 9.733 -9.455 1.00 0.00 H new ATOM 0 HB ILE A 78 11.786 8.698 -12.121 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.160 9.535 -9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.781 10.771 -10.737 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.493 7.003 -10.924 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.247 6.756 -10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.314 7.447 -9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.477 10.157 -11.343 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.605 9.717 -12.648 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.975 8.462 -11.555 1.00 0.00 H new ATOM 1216 N ALA A 79 14.417 7.894 -9.394 1.00 0.00 N ATOM 1217 CA ALA A 79 15.517 6.962 -9.181 1.00 0.00 C ATOM 1218 C ALA A 79 14.913 5.598 -8.828 1.00 0.00 C ATOM 1219 O ALA A 79 14.868 5.195 -7.664 1.00 0.00 O ATOM 1220 CB ALA A 79 16.470 7.513 -8.110 1.00 0.00 C ATOM 0 H ALA A 79 13.827 7.996 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 79 16.123 6.837 -10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.290 6.811 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.871 8.472 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.927 7.647 -7.174 1.00 0.00 H new ATOM 1226 N MET A 80 14.388 4.923 -9.851 1.00 0.00 N ATOM 1227 CA MET A 80 13.757 3.605 -9.796 1.00 0.00 C ATOM 1228 C MET A 80 14.195 2.826 -11.045 1.00 0.00 C ATOM 1229 O MET A 80 14.660 3.458 -12.001 1.00 0.00 O ATOM 1230 CB MET A 80 12.224 3.752 -9.802 1.00 0.00 C ATOM 1231 CG MET A 80 11.653 4.333 -8.503 1.00 0.00 C ATOM 1232 SD MET A 80 9.855 4.601 -8.512 1.00 0.00 S ATOM 1233 CE MET A 80 9.248 2.901 -8.704 1.00 0.00 C ATOM 0 H MET A 80 14.392 5.305 -10.797 1.00 0.00 H new ATOM 0 HA MET A 80 14.054 3.084 -8.886 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.933 4.393 -10.634 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.775 2.775 -9.980 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.902 3.662 -7.681 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.147 5.283 -8.299 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.286 2.799 -8.202 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.131 2.674 -9.764 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.963 2.207 -8.261 1.00 0.00 H new ATOM 1243 N PRO A 81 14.048 1.487 -11.078 1.00 0.00 N ATOM 1244 CA PRO A 81 14.227 0.698 -12.293 1.00 0.00 C ATOM 1245 C PRO A 81 13.390 1.249 -13.454 1.00 0.00 C ATOM 1246 O PRO A 81 12.250 1.687 -13.259 1.00 0.00 O ATOM 1247 CB PRO A 81 13.808 -0.731 -11.928 1.00 0.00 C ATOM 1248 CG PRO A 81 14.044 -0.795 -10.421 1.00 0.00 C ATOM 1249 CD PRO A 81 13.699 0.620 -9.962 1.00 0.00 C ATOM 0 HA PRO A 81 15.261 0.733 -12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.765 -0.920 -12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.404 -1.473 -12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.408 -1.541 -9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.075 -1.056 -10.184 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.641 0.705 -9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.258 0.889 -9.066 1.00 0.00 H new ATOM 1257 N LYS A 82 13.936 1.189 -14.671 1.00 0.00 N ATOM 1258 CA LYS A 82 13.296 1.673 -15.892 1.00 0.00 C ATOM 1259 C LYS A 82 13.563 0.656 -16.994 1.00 0.00 C ATOM 1260 O LYS A 82 14.622 0.024 -17.001 1.00 0.00 O ATOM 1261 CB LYS A 82 13.853 3.056 -16.291 1.00 0.00 C ATOM 1262 CG LYS A 82 13.487 4.176 -15.301 1.00 0.00 C ATOM 1263 CD LYS A 82 14.375 5.420 -15.454 1.00 0.00 C ATOM 1264 CE LYS A 82 14.217 6.293 -14.197 1.00 0.00 C ATOM 1265 NZ LYS A 82 15.089 7.493 -14.205 1.00 0.00 N ATOM 0 H LYS A 82 14.861 0.791 -14.836 1.00 0.00 H new ATOM 0 HA LYS A 82 12.224 1.786 -15.731 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.938 2.992 -16.370 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.476 3.319 -17.280 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.445 4.459 -15.449 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.573 3.797 -14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.417 5.127 -15.583 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.089 5.982 -16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.177 6.608 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.443 5.693 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.228 7.828 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.010 7.250 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.641 8.244 -14.768 1.00 0.00 H new ATOM 1279 N VAL A 83 12.622 0.501 -17.920 1.00 0.00 N ATOM 1280 CA VAL A 83 12.640 -0.499 -18.976 1.00 0.00 C ATOM 1281 C VAL A 83 12.051 0.126 -20.244 1.00 0.00 C ATOM 1282 O VAL A 83 11.281 1.083 -20.156 1.00 0.00 O ATOM 1283 CB VAL A 83 11.835 -1.735 -18.521 1.00 0.00 C ATOM 1284 CG1 VAL A 83 12.678 -2.669 -17.640 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.534 -1.404 -17.770 1.00 0.00 C ATOM 0 H VAL A 83 11.793 1.094 -17.954 1.00 0.00 H new ATOM 0 HA VAL A 83 13.658 -0.826 -19.190 1.00 0.00 H new ATOM 0 HB VAL A 83 11.562 -2.230 -19.453 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.077 -3.527 -17.340 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.546 -3.013 -18.202 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.010 -2.130 -16.752 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.032 -2.329 -17.487 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.767 -0.829 -16.874 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.880 -0.819 -18.416 1.00 0.00 H new ATOM 1295 N LYS A 84 12.426 -0.376 -21.426 1.00 0.00 N ATOM 1296 CA LYS A 84 11.906 0.130 -22.701 1.00 0.00 C ATOM 1297 C LYS A 84 10.454 -0.302 -22.898 1.00 0.00 C ATOM 1298 O LYS A 84 10.029 -1.315 -22.336 1.00 0.00 O ATOM 1299 CB LYS A 84 12.780 -0.338 -23.876 1.00 0.00 C ATOM 1300 CG LYS A 84 14.222 0.169 -23.722 1.00 0.00 C ATOM 1301 CD LYS A 84 14.995 0.162 -25.049 1.00 0.00 C ATOM 1302 CE LYS A 84 16.269 1.012 -24.935 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.978 2.470 -24.946 1.00 0.00 N ATOM 0 H LYS A 84 13.094 -1.140 -21.526 1.00 0.00 H new ATOM 0 HA LYS A 84 11.938 1.219 -22.673 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.776 -1.427 -23.926 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.361 0.026 -24.814 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.206 1.182 -23.320 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.747 -0.453 -22.997 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.257 -0.861 -25.319 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.362 0.550 -25.847 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.793 0.755 -24.014 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.939 0.771 -25.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.718 2.976 -24.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.958 2.813 -25.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.055 2.643 -24.500 1.00 0.00 H new ATOM 1317 N GLY A 85 9.709 0.452 -23.712 1.00 0.00 N ATOM 1318 CA GLY A 85 8.362 0.069 -24.130 1.00 0.00 C ATOM 1319 C GLY A 85 8.409 -1.259 -24.875 1.00 0.00 C ATOM 1320 O GLY A 85 7.682 -2.194 -24.487 1.00 0.00 O ATOM 1321 OXT GLY A 85 9.164 -1.346 -25.866 1.00 0.00 O ATOM 0 H GLY A 85 10.024 1.342 -24.097 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.712 -0.015 -23.259 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.937 0.841 -24.772 1.00 0.00 H new