USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 905 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 81 MET CE :methyl -140:sc= -15.5! (180deg=-8.51!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -3.24! USER MOD Set 1.3: A 104 LYS NZ :NH3+ -121:sc= -1.31 (180deg=0.0707) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 163:sc=-0.00122 (180deg=-0.118) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -1.64! C(o=-2.4!,f=-1.6!) USER MOD Set 3.1: A 67 LYS NZ :NH3+ -166:sc= 1.15 (180deg=-0.279) USER MOD Set 3.2: A 68 GLN : amide:sc= 0.756 K(o=0.69,f=-6.5!) USER MOD Set 3.3: A 71 GLN :FLIP amide:sc= -1.21 F(o=-0.78!,f=0.69) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -87:sc= -4.4! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -10:sc= -3.03 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 37 ASN :FLIP amide:sc= -2.26! C(o=-4!,f=-2.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -141:sc= -0.667 (180deg=-2.97!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -11.2! C(o=-15!,f=-11!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.07 F(o=-2.3,f=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -2:sc= 0.307 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.14 K(o=-2.1,f=-12!) USER MOD Single : A 101 TYR OH : rot -30:sc= -2.64! USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 9.176 -10.709 -4.730 1.00 0.00 N ATOM 62 CA GLY A 4 9.253 -9.478 -3.964 1.00 0.00 C ATOM 63 C GLY A 4 8.784 -8.277 -4.756 1.00 0.00 C ATOM 64 O GLY A 4 9.594 -7.545 -5.326 1.00 0.00 O ATOM 0 HA2 GLY A 4 8.647 -9.575 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.282 -9.318 -3.641 1.00 0.00 H new ATOM 68 N ILE A 5 7.474 -8.076 -4.800 1.00 0.00 N ATOM 69 CA ILE A 5 6.901 -6.958 -5.534 1.00 0.00 C ATOM 70 C ILE A 5 6.211 -5.977 -4.594 1.00 0.00 C ATOM 71 O ILE A 5 5.277 -6.340 -3.879 1.00 0.00 O ATOM 72 CB ILE A 5 5.877 -7.438 -6.575 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.353 -8.729 -7.239 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.640 -6.355 -7.617 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.673 -9.966 -6.694 1.00 0.00 C ATOM 0 H ILE A 5 6.789 -8.673 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 5 7.728 -6.460 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 5 4.934 -7.643 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.172 -8.666 -8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.430 -8.824 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.913 -6.707 -8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.259 -5.458 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.578 -6.123 -8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.056 -10.848 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.875 -10.052 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.598 -9.891 -6.855 1.00 0.00 H new ATOM 87 N VAL A 6 6.668 -4.732 -4.606 1.00 0.00 N ATOM 88 CA VAL A 6 6.084 -3.696 -3.765 1.00 0.00 C ATOM 89 C VAL A 6 5.414 -2.630 -4.626 1.00 0.00 C ATOM 90 O VAL A 6 6.063 -2.001 -5.455 1.00 0.00 O ATOM 91 CB VAL A 6 7.150 -3.022 -2.879 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.269 -2.458 -3.739 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.526 -1.929 -2.019 1.00 0.00 C ATOM 0 H VAL A 6 7.442 -4.415 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 6 5.345 -4.177 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 6 7.572 -3.774 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.015 -1.985 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.735 -3.265 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.861 -1.719 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.297 -1.467 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.075 -1.173 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.760 -2.364 -1.377 1.00 0.00 H new ATOM 103 N TRP A 7 4.117 -2.427 -4.432 1.00 0.00 N ATOM 104 CA TRP A 7 3.391 -1.430 -5.208 1.00 0.00 C ATOM 105 C TRP A 7 2.972 -0.256 -4.324 1.00 0.00 C ATOM 106 O TRP A 7 2.532 -0.443 -3.190 1.00 0.00 O ATOM 107 CB TRP A 7 2.190 -2.077 -5.902 1.00 0.00 C ATOM 108 CG TRP A 7 2.588 -2.902 -7.094 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.862 -3.199 -7.493 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.717 -3.540 -8.036 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.837 -3.966 -8.629 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.533 -4.194 -8.982 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.330 -3.620 -8.176 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.006 -4.915 -10.049 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.192 -4.338 -9.236 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.645 -4.978 -10.160 1.00 0.00 C ATOM 0 H TRP A 7 3.551 -2.934 -3.751 1.00 0.00 H new ATOM 0 HA TRP A 7 4.049 -1.032 -5.980 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.659 -2.708 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.495 -1.299 -6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.759 -2.876 -6.986 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.656 -4.311 -9.130 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.323 -3.130 -7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.649 -5.407 -10.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.263 -4.407 -9.354 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.206 -5.532 -10.976 1.00 0.00 H new ATOM 127 N VAL A 8 3.151 0.957 -4.846 1.00 0.00 N ATOM 128 CA VAL A 8 2.834 2.177 -4.104 1.00 0.00 C ATOM 129 C VAL A 8 1.815 3.044 -4.842 1.00 0.00 C ATOM 130 O VAL A 8 1.915 3.239 -6.049 1.00 0.00 O ATOM 131 CB VAL A 8 4.111 3.025 -3.874 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.037 3.793 -2.564 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.363 2.158 -3.920 1.00 0.00 C ATOM 0 H VAL A 8 3.516 1.121 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 8 2.411 1.860 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 8 4.171 3.751 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.948 4.377 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.176 4.462 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.934 3.091 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.243 2.780 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.307 1.396 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.436 1.676 -4.895 1.00 0.00 H new ATOM 143 N VAL A 9 0.853 3.595 -4.108 1.00 0.00 N ATOM 144 CA VAL A 9 -0.146 4.473 -4.711 1.00 0.00 C ATOM 145 C VAL A 9 -0.109 5.847 -4.042 1.00 0.00 C ATOM 146 O VAL A 9 -0.387 5.983 -2.850 1.00 0.00 O ATOM 147 CB VAL A 9 -1.590 3.891 -4.666 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.224 3.980 -6.046 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.602 2.446 -4.184 1.00 0.00 C ATOM 0 H VAL A 9 0.744 3.452 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 9 0.116 4.564 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.166 4.483 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.234 3.572 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.265 5.023 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.628 3.409 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.627 2.077 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.007 1.832 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.181 2.394 -3.180 1.00 0.00 H new ATOM 159 N ASP A 10 0.261 6.858 -4.826 1.00 0.00 N ATOM 160 CA ASP A 10 0.367 8.235 -4.348 1.00 0.00 C ATOM 161 C ASP A 10 0.527 9.182 -5.541 1.00 0.00 C ATOM 162 O ASP A 10 0.079 8.876 -6.642 1.00 0.00 O ATOM 163 CB ASP A 10 1.531 8.359 -3.344 1.00 0.00 C ATOM 164 CG ASP A 10 1.429 9.587 -2.438 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.742 10.699 -2.913 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.054 9.441 -1.253 1.00 0.00 O ATOM 0 H ASP A 10 0.496 6.745 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.544 8.517 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.563 7.463 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.471 8.400 -3.894 1.00 0.00 H new ATOM 171 N ASP A 11 1.135 10.331 -5.319 1.00 0.00 N ATOM 172 CA ASP A 11 1.311 11.329 -6.377 1.00 0.00 C ATOM 173 C ASP A 11 2.248 10.860 -7.494 1.00 0.00 C ATOM 174 O ASP A 11 2.437 11.571 -8.482 1.00 0.00 O ATOM 175 CB ASP A 11 1.853 12.626 -5.781 1.00 0.00 C ATOM 176 CG ASP A 11 0.762 13.501 -5.195 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.343 13.544 -5.778 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.014 14.146 -4.157 1.00 0.00 O ATOM 0 H ASP A 11 1.520 10.605 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 11 0.329 11.489 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.579 12.388 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.384 13.182 -6.554 1.00 0.00 H new ATOM 183 N ASP A 12 2.828 9.673 -7.353 1.00 0.00 N ATOM 184 CA ASP A 12 3.732 9.143 -8.376 1.00 0.00 C ATOM 185 C ASP A 12 5.006 9.999 -8.487 1.00 0.00 C ATOM 186 O ASP A 12 5.397 10.661 -7.527 1.00 0.00 O ATOM 187 CB ASP A 12 3.005 9.077 -9.726 1.00 0.00 C ATOM 188 CG ASP A 12 3.088 7.703 -10.360 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.370 6.791 -9.897 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.869 7.538 -11.321 1.00 0.00 O ATOM 0 H ASP A 12 2.692 9.061 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 12 4.034 8.137 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.958 9.347 -9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.436 9.814 -10.404 1.00 0.00 H new ATOM 195 N SER A 13 5.639 9.983 -9.669 1.00 0.00 N ATOM 196 CA SER A 13 6.855 10.750 -9.936 1.00 0.00 C ATOM 197 C SER A 13 7.772 10.860 -8.715 1.00 0.00 C ATOM 198 O SER A 13 8.658 10.027 -8.520 1.00 0.00 O ATOM 199 CB SER A 13 6.470 12.126 -10.468 1.00 0.00 C ATOM 200 OG SER A 13 7.531 12.711 -11.207 1.00 0.00 O ATOM 0 H SER A 13 5.317 9.434 -10.467 1.00 0.00 H new ATOM 0 HA SER A 13 7.433 10.214 -10.688 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.588 12.039 -11.102 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.202 12.777 -9.636 1.00 0.00 H new ATOM 0 HG SER A 13 7.254 13.591 -11.536 1.00 0.00 H new ATOM 206 N SER A 14 7.561 11.888 -7.903 1.00 0.00 N ATOM 207 CA SER A 14 8.373 12.106 -6.710 1.00 0.00 C ATOM 208 C SER A 14 8.390 10.872 -5.816 1.00 0.00 C ATOM 209 O SER A 14 9.450 10.313 -5.536 1.00 0.00 O ATOM 210 CB SER A 14 7.850 13.312 -5.927 1.00 0.00 C ATOM 211 OG SER A 14 8.231 14.528 -6.549 1.00 0.00 O ATOM 0 H SER A 14 6.832 12.587 -8.049 1.00 0.00 H new ATOM 0 HA SER A 14 9.395 12.303 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.763 13.261 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.237 13.284 -4.908 1.00 0.00 H new ATOM 0 HG SER A 14 7.883 15.284 -6.031 1.00 0.00 H new ATOM 217 N ILE A 15 7.213 10.444 -5.373 1.00 0.00 N ATOM 218 CA ILE A 15 7.107 9.272 -4.517 1.00 0.00 C ATOM 219 C ILE A 15 7.592 8.024 -5.241 1.00 0.00 C ATOM 220 O ILE A 15 8.101 7.092 -4.622 1.00 0.00 O ATOM 221 CB ILE A 15 5.658 9.043 -4.036 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.069 10.335 -3.465 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.611 7.934 -2.995 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.775 10.822 -2.221 1.00 0.00 C ATOM 0 H ILE A 15 6.323 10.890 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 15 7.738 9.460 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 15 5.057 8.740 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.114 11.113 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.016 10.174 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.582 7.786 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.989 7.009 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.228 8.211 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.305 11.741 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.707 10.062 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.823 11.015 -2.449 1.00 0.00 H new ATOM 236 N ARG A 16 7.419 8.017 -6.556 1.00 0.00 N ATOM 237 CA ARG A 16 7.824 6.882 -7.382 1.00 0.00 C ATOM 238 C ARG A 16 9.342 6.788 -7.518 1.00 0.00 C ATOM 239 O ARG A 16 9.918 5.711 -7.368 1.00 0.00 O ATOM 240 CB ARG A 16 7.191 6.993 -8.773 1.00 0.00 C ATOM 241 CG ARG A 16 7.503 5.815 -9.686 1.00 0.00 C ATOM 242 CD ARG A 16 7.134 6.112 -11.131 1.00 0.00 C ATOM 243 NE ARG A 16 7.889 5.284 -12.072 1.00 0.00 N ATOM 244 CZ ARG A 16 7.396 4.212 -12.693 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.150 3.811 -12.469 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.157 3.534 -13.540 1.00 0.00 N ATOM 0 H ARG A 16 6.999 8.787 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 16 7.475 5.976 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.110 7.080 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.538 7.911 -9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.565 5.577 -9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.958 4.935 -9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.067 5.942 -11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.321 7.165 -11.344 1.00 0.00 H new ATOM 0 HE ARG A 16 8.856 5.544 -12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.559 4.325 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.784 2.989 -12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.116 3.833 -13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.783 2.713 -14.017 1.00 0.00 H new ATOM 260 N TRP A 17 9.984 7.911 -7.823 1.00 0.00 N ATOM 261 CA TRP A 17 11.433 7.935 -8.001 1.00 0.00 C ATOM 262 C TRP A 17 12.172 7.504 -6.741 1.00 0.00 C ATOM 263 O TRP A 17 13.172 6.788 -6.813 1.00 0.00 O ATOM 264 CB TRP A 17 11.907 9.327 -8.415 1.00 0.00 C ATOM 265 CG TRP A 17 13.344 9.349 -8.836 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.850 8.936 -10.033 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.461 9.795 -8.059 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.214 9.098 -10.050 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.613 9.625 -8.850 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.601 10.324 -6.773 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.886 9.963 -8.397 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.865 10.659 -6.323 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.992 10.479 -7.135 1.00 0.00 C ATOM 0 H TRP A 17 9.527 8.814 -7.952 1.00 0.00 H new ATOM 0 HA TRP A 17 11.663 7.221 -8.792 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.287 9.688 -9.236 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.766 10.016 -7.582 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.264 8.539 -10.849 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.829 8.864 -10.829 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.737 10.469 -6.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.757 9.823 -9.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.985 11.066 -5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.965 10.754 -6.756 1.00 0.00 H new ATOM 284 N VAL A 18 11.697 7.953 -5.590 1.00 0.00 N ATOM 285 CA VAL A 18 12.345 7.615 -4.335 1.00 0.00 C ATOM 286 C VAL A 18 12.072 6.175 -3.936 1.00 0.00 C ATOM 287 O VAL A 18 12.966 5.465 -3.474 1.00 0.00 O ATOM 288 CB VAL A 18 11.905 8.540 -3.177 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.996 8.611 -2.121 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.554 9.937 -3.677 1.00 0.00 C ATOM 0 H VAL A 18 10.873 8.547 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 18 13.412 7.752 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 18 11.005 8.115 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.676 9.265 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.187 7.613 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.909 9.006 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.249 10.559 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.425 10.380 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.736 9.872 -4.395 1.00 0.00 H new ATOM 300 N LEU A 19 10.830 5.759 -4.095 1.00 0.00 N ATOM 301 CA LEU A 19 10.426 4.409 -3.727 1.00 0.00 C ATOM 302 C LEU A 19 10.872 3.377 -4.755 1.00 0.00 C ATOM 303 O LEU A 19 11.082 2.211 -4.417 1.00 0.00 O ATOM 304 CB LEU A 19 8.908 4.342 -3.519 1.00 0.00 C ATOM 305 CG LEU A 19 8.427 4.709 -2.114 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.123 3.847 -1.067 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.658 6.191 -1.840 1.00 0.00 C ATOM 0 H LEU A 19 10.080 6.335 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 19 10.923 4.165 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.429 5.009 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.570 3.332 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 19 7.356 4.516 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.768 4.123 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.900 2.797 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.200 4.004 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.310 6.434 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.722 6.414 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.107 6.786 -2.569 1.00 0.00 H new ATOM 319 N GLU A 20 11.015 3.799 -6.003 1.00 0.00 N ATOM 320 CA GLU A 20 11.434 2.883 -7.057 1.00 0.00 C ATOM 321 C GLU A 20 12.877 2.422 -6.871 1.00 0.00 C ATOM 322 O GLU A 20 13.143 1.227 -6.759 1.00 0.00 O ATOM 323 CB GLU A 20 11.237 3.497 -8.451 1.00 0.00 C ATOM 324 CG GLU A 20 12.174 4.638 -8.802 1.00 0.00 C ATOM 325 CD GLU A 20 11.876 5.229 -10.166 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.683 5.403 -10.489 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.837 5.513 -10.911 1.00 0.00 O ATOM 0 H GLU A 20 10.850 4.758 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 20 10.793 2.005 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.357 2.710 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.211 3.856 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.092 5.418 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.203 4.280 -8.781 1.00 0.00 H new ATOM 334 N ARG A 21 13.801 3.371 -6.865 1.00 0.00 N ATOM 335 CA ARG A 21 15.224 3.062 -6.726 1.00 0.00 C ATOM 336 C ARG A 21 15.586 2.530 -5.338 1.00 0.00 C ATOM 337 O ARG A 21 16.169 1.451 -5.220 1.00 0.00 O ATOM 338 CB ARG A 21 16.071 4.295 -7.058 1.00 0.00 C ATOM 339 CG ARG A 21 16.023 4.691 -8.529 1.00 0.00 C ATOM 340 CD ARG A 21 17.288 4.275 -9.269 1.00 0.00 C ATOM 341 NE ARG A 21 17.011 3.850 -10.642 1.00 0.00 N ATOM 342 CZ ARG A 21 16.331 2.750 -10.959 1.00 0.00 C ATOM 343 NH1 ARG A 21 15.872 1.950 -10.007 1.00 0.00 N ATOM 344 NH2 ARG A 21 16.118 2.445 -12.233 1.00 0.00 N ATOM 0 H ARG A 21 13.594 4.366 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 21 15.443 2.265 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.728 5.134 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.106 4.101 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.157 4.228 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.892 5.770 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.989 5.109 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.772 3.461 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 21 17.360 4.432 -11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.039 2.176 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.352 1.109 -10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.475 3.053 -12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.597 1.602 -12.475 1.00 0.00 H new ATOM 358 N ALA A 22 15.267 3.286 -4.290 1.00 0.00 N ATOM 359 CA ALA A 22 15.596 2.868 -2.927 1.00 0.00 C ATOM 360 C ALA A 22 15.105 1.460 -2.626 1.00 0.00 C ATOM 361 O ALA A 22 15.870 0.613 -2.161 1.00 0.00 O ATOM 362 CB ALA A 22 15.041 3.856 -1.909 1.00 0.00 C ATOM 0 H ALA A 22 14.786 4.183 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 22 16.683 2.858 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.298 3.525 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.471 4.842 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.957 3.910 -2.008 1.00 0.00 H new ATOM 368 N LEU A 23 13.838 1.213 -2.893 1.00 0.00 N ATOM 369 CA LEU A 23 13.262 -0.103 -2.650 1.00 0.00 C ATOM 370 C LEU A 23 13.869 -1.134 -3.600 1.00 0.00 C ATOM 371 O LEU A 23 13.896 -2.331 -3.303 1.00 0.00 O ATOM 372 CB LEU A 23 11.733 -0.072 -2.782 1.00 0.00 C ATOM 373 CG LEU A 23 10.982 -1.187 -2.035 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.718 -1.602 -0.767 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.565 -0.754 -1.696 1.00 0.00 C ATOM 0 H LEU A 23 13.188 1.899 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 23 13.500 -0.394 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.374 0.891 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.476 -0.130 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 23 10.936 -2.049 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.160 -2.391 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.711 -1.969 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.810 -0.743 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.055 -1.560 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.597 0.132 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.025 -0.523 -2.615 1.00 0.00 H new ATOM 387 N ALA A 24 14.387 -0.657 -4.729 1.00 0.00 N ATOM 388 CA ALA A 24 15.025 -1.537 -5.690 1.00 0.00 C ATOM 389 C ALA A 24 16.313 -2.077 -5.092 1.00 0.00 C ATOM 390 O ALA A 24 16.668 -3.240 -5.289 1.00 0.00 O ATOM 391 CB ALA A 24 15.308 -0.807 -6.996 1.00 0.00 C ATOM 0 H ALA A 24 14.375 0.328 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 24 14.352 -2.365 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.786 -1.490 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.372 -0.446 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.969 0.038 -6.805 1.00 0.00 H new ATOM 397 N GLY A 25 16.995 -1.224 -4.330 1.00 0.00 N ATOM 398 CA GLY A 25 18.222 -1.639 -3.683 1.00 0.00 C ATOM 399 C GLY A 25 17.970 -2.764 -2.701 1.00 0.00 C ATOM 400 O GLY A 25 18.870 -3.548 -2.397 1.00 0.00 O ATOM 0 H GLY A 25 16.719 -0.258 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.941 -1.964 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.666 -0.791 -3.162 1.00 0.00 H new ATOM 404 N ALA A 26 16.734 -2.845 -2.211 1.00 0.00 N ATOM 405 CA ALA A 26 16.350 -3.881 -1.270 1.00 0.00 C ATOM 406 C ALA A 26 16.104 -5.207 -1.989 1.00 0.00 C ATOM 407 O ALA A 26 16.064 -6.264 -1.362 1.00 0.00 O ATOM 408 CB ALA A 26 15.112 -3.456 -0.495 1.00 0.00 C ATOM 0 H ALA A 26 15.983 -2.200 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 26 17.170 -4.026 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.835 -4.242 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.323 -2.538 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.290 -3.283 -1.189 1.00 0.00 H new ATOM 414 N GLY A 27 15.955 -5.143 -3.313 1.00 0.00 N ATOM 415 CA GLY A 27 15.737 -6.348 -4.092 1.00 0.00 C ATOM 416 C GLY A 27 14.279 -6.605 -4.438 1.00 0.00 C ATOM 417 O GLY A 27 13.892 -7.754 -4.650 1.00 0.00 O ATOM 0 H GLY A 27 15.982 -4.280 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.312 -6.281 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.124 -7.202 -3.537 1.00 0.00 H new ATOM 421 N LEU A 28 13.461 -5.553 -4.503 1.00 0.00 N ATOM 422 CA LEU A 28 12.054 -5.722 -4.837 1.00 0.00 C ATOM 423 C LEU A 28 11.643 -4.848 -6.016 1.00 0.00 C ATOM 424 O LEU A 28 12.397 -3.978 -6.454 1.00 0.00 O ATOM 425 CB LEU A 28 11.155 -5.412 -3.637 1.00 0.00 C ATOM 426 CG LEU A 28 11.818 -5.525 -2.265 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.419 -4.203 -1.865 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.819 -6.011 -1.224 1.00 0.00 C ATOM 0 H LEU A 28 13.747 -4.589 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 28 11.926 -6.767 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.766 -4.400 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.300 -6.087 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 28 12.621 -6.260 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.888 -4.298 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.168 -3.907 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.636 -3.446 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.311 -6.085 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.990 -5.306 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.439 -6.991 -1.514 1.00 0.00 H new ATOM 440 N THR A 29 10.433 -5.084 -6.515 1.00 0.00 N ATOM 441 CA THR A 29 9.901 -4.319 -7.635 1.00 0.00 C ATOM 442 C THR A 29 8.918 -3.263 -7.137 1.00 0.00 C ATOM 443 O THR A 29 7.797 -3.581 -6.738 1.00 0.00 O ATOM 444 CB THR A 29 9.217 -5.253 -8.638 1.00 0.00 C ATOM 445 OG1 THR A 29 10.171 -6.076 -9.287 1.00 0.00 O ATOM 446 CG2 THR A 29 8.441 -4.520 -9.712 1.00 0.00 C ATOM 0 H THR A 29 9.802 -5.802 -6.159 1.00 0.00 H new ATOM 0 HA THR A 29 10.727 -3.815 -8.136 1.00 0.00 H new ATOM 0 HB THR A 29 8.517 -5.844 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.715 -6.667 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.983 -5.243 -10.387 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.663 -3.913 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.117 -3.876 -10.274 1.00 0.00 H new ATOM 454 N CYS A 30 9.356 -2.008 -7.150 1.00 0.00 N ATOM 455 CA CYS A 30 8.527 -0.902 -6.687 1.00 0.00 C ATOM 456 C CYS A 30 7.926 -0.117 -7.844 1.00 0.00 C ATOM 457 O CYS A 30 8.637 0.538 -8.605 1.00 0.00 O ATOM 458 CB CYS A 30 9.347 0.025 -5.800 1.00 0.00 C ATOM 459 SG CYS A 30 8.346 1.026 -4.682 1.00 0.00 S ATOM 0 H CYS A 30 10.282 -1.732 -7.477 1.00 0.00 H new ATOM 0 HA CYS A 30 7.702 -1.326 -6.114 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.046 -0.571 -5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.942 0.685 -6.431 1.00 0.00 H new ATOM 0 HG CYS A 30 7.981 2.118 -5.286 1.00 0.00 H new ATOM 465 N THR A 31 6.603 -0.172 -7.950 1.00 0.00 N ATOM 466 CA THR A 31 5.883 0.547 -8.989 1.00 0.00 C ATOM 467 C THR A 31 4.848 1.453 -8.333 1.00 0.00 C ATOM 468 O THR A 31 4.361 1.152 -7.243 1.00 0.00 O ATOM 469 CB THR A 31 5.210 -0.432 -9.959 1.00 0.00 C ATOM 470 OG1 THR A 31 4.929 0.201 -11.194 1.00 0.00 O ATOM 471 CG2 THR A 31 3.907 -0.994 -9.440 1.00 0.00 C ATOM 0 H THR A 31 6.006 -0.712 -7.323 1.00 0.00 H new ATOM 0 HA THR A 31 6.583 1.152 -9.565 1.00 0.00 H new ATOM 0 HB THR A 31 5.922 -1.249 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.502 -0.440 -11.800 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.487 -1.678 -10.177 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.087 -1.530 -8.508 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.206 -0.179 -9.260 1.00 0.00 H new ATOM 479 N THR A 32 4.529 2.571 -8.969 1.00 0.00 N ATOM 480 CA THR A 32 3.574 3.504 -8.391 1.00 0.00 C ATOM 481 C THR A 32 2.374 3.768 -9.295 1.00 0.00 C ATOM 482 O THR A 32 2.384 3.449 -10.483 1.00 0.00 O ATOM 483 CB THR A 32 4.281 4.805 -8.043 1.00 0.00 C ATOM 484 OG1 THR A 32 4.773 5.442 -9.212 1.00 0.00 O ATOM 485 CG2 THR A 32 5.447 4.592 -7.097 1.00 0.00 C ATOM 0 H THR A 32 4.911 2.851 -9.872 1.00 0.00 H new ATOM 0 HA THR A 32 3.176 3.044 -7.486 1.00 0.00 H new ATOM 0 HB THR A 32 3.536 5.431 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.694 4.832 -9.975 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.919 5.550 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.087 4.146 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.175 3.927 -7.561 1.00 0.00 H new ATOM 493 N PHE A 33 1.328 4.331 -8.692 1.00 0.00 N ATOM 494 CA PHE A 33 0.083 4.633 -9.390 1.00 0.00 C ATOM 495 C PHE A 33 -0.453 6.021 -9.021 1.00 0.00 C ATOM 496 O PHE A 33 0.126 6.727 -8.194 1.00 0.00 O ATOM 497 CB PHE A 33 -0.968 3.565 -9.127 1.00 0.00 C ATOM 498 CG PHE A 33 -0.498 2.162 -9.384 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.543 1.613 -8.649 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.104 1.388 -10.355 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.967 0.319 -8.885 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.688 0.096 -10.591 1.00 0.00 C ATOM 503 CZ PHE A 33 0.347 -0.441 -9.859 1.00 0.00 C ATOM 0 H PHE A 33 1.322 4.590 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 33 0.307 4.637 -10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.297 3.642 -8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.838 3.765 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.027 2.203 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.915 1.801 -10.937 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.781 -0.097 -8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.175 -0.497 -11.352 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.674 -1.453 -10.045 1.00 0.00 H new ATOM 513 N GLU A 34 -1.538 6.418 -9.685 1.00 0.00 N ATOM 514 CA GLU A 34 -2.150 7.736 -9.493 1.00 0.00 C ATOM 515 C GLU A 34 -2.636 8.009 -8.062 1.00 0.00 C ATOM 516 O GLU A 34 -2.254 9.023 -7.475 1.00 0.00 O ATOM 517 CB GLU A 34 -3.335 7.885 -10.448 1.00 0.00 C ATOM 518 CG GLU A 34 -4.357 6.761 -10.328 1.00 0.00 C ATOM 519 CD GLU A 34 -5.563 7.134 -9.488 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.936 8.326 -9.476 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.136 6.227 -8.842 1.00 0.00 O ATOM 0 H GLU A 34 -2.019 5.837 -10.371 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.365 8.463 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.829 8.837 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.964 7.920 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.692 6.476 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.875 5.886 -9.891 1.00 0.00 H new ATOM 528 N ASN A 35 -3.496 7.157 -7.502 1.00 0.00 N ATOM 529 CA ASN A 35 -4.011 7.416 -6.160 1.00 0.00 C ATOM 530 C ASN A 35 -4.364 6.150 -5.392 1.00 0.00 C ATOM 531 O ASN A 35 -4.056 6.028 -4.207 1.00 0.00 O ATOM 532 CB ASN A 35 -5.235 8.331 -6.243 1.00 0.00 C ATOM 533 CG ASN A 35 -4.898 9.778 -5.943 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.545 10.126 -4.816 1.00 0.00 O ATOM 535 ND2 ASN A 35 -5.010 10.633 -6.955 1.00 0.00 N ATOM 0 H ASN A 35 -3.842 6.305 -7.943 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.208 7.902 -5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.670 8.262 -7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.992 7.984 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.800 11.621 -6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.306 10.301 -7.873 1.00 0.00 H new ATOM 542 N GLY A 36 -5.020 5.219 -6.055 1.00 0.00 N ATOM 543 CA GLY A 36 -5.404 3.990 -5.387 1.00 0.00 C ATOM 544 C GLY A 36 -6.201 3.052 -6.268 1.00 0.00 C ATOM 545 O GLY A 36 -5.932 1.852 -6.305 1.00 0.00 O ATOM 0 H GLY A 36 -5.294 5.285 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.506 3.477 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.993 4.234 -4.503 1.00 0.00 H new ATOM 549 N ASN A 37 -7.189 3.592 -6.973 1.00 0.00 N ATOM 550 CA ASN A 37 -8.022 2.775 -7.842 1.00 0.00 C ATOM 551 C ASN A 37 -7.191 2.163 -8.959 1.00 0.00 C ATOM 552 O ASN A 37 -7.515 1.092 -9.471 1.00 0.00 O ATOM 553 CB ASN A 37 -9.173 3.598 -8.420 1.00 0.00 C ATOM 554 CG ASN A 37 -10.496 2.855 -8.366 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.819 2.303 -7.200 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.217 2.777 -9.359 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.430 4.583 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.446 1.967 -7.245 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.261 4.533 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.947 3.859 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.930 3.216 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.103 2.273 -9.308 1.00 0.00 H new ATOM 563 N GLU A 38 -6.111 2.844 -9.325 1.00 0.00 N ATOM 564 CA GLU A 38 -5.229 2.355 -10.373 1.00 0.00 C ATOM 565 C GLU A 38 -4.677 0.979 -10.015 1.00 0.00 C ATOM 566 O GLU A 38 -4.826 0.027 -10.782 1.00 0.00 O ATOM 567 CB GLU A 38 -4.084 3.336 -10.604 1.00 0.00 C ATOM 568 CG GLU A 38 -3.945 3.785 -12.051 1.00 0.00 C ATOM 569 CD GLU A 38 -2.630 3.357 -12.673 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.515 2.175 -13.061 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.716 4.203 -12.775 1.00 0.00 O ATOM 0 H GLU A 38 -5.828 3.733 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.808 2.267 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.236 4.212 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.150 2.872 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.769 3.375 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.029 4.871 -12.100 1.00 0.00 H new ATOM 578 N VAL A 39 -4.039 0.869 -8.846 1.00 0.00 N ATOM 579 CA VAL A 39 -3.478 -0.413 -8.416 1.00 0.00 C ATOM 580 C VAL A 39 -4.512 -1.529 -8.523 1.00 0.00 C ATOM 581 O VAL A 39 -4.193 -2.652 -8.908 1.00 0.00 O ATOM 582 CB VAL A 39 -2.966 -0.362 -6.964 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.033 -1.529 -6.683 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.270 0.955 -6.687 1.00 0.00 C ATOM 0 H VAL A 39 -3.900 1.638 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.639 -0.617 -9.082 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.825 -0.441 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.682 -1.475 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.567 -2.467 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.179 -1.483 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.916 0.970 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.422 1.068 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.970 1.776 -6.842 1.00 0.00 H new ATOM 594 N LEU A 40 -5.753 -1.208 -8.179 1.00 0.00 N ATOM 595 CA LEU A 40 -6.837 -2.182 -8.233 1.00 0.00 C ATOM 596 C LEU A 40 -7.012 -2.722 -9.650 1.00 0.00 C ATOM 597 O LEU A 40 -7.179 -3.925 -9.849 1.00 0.00 O ATOM 598 CB LEU A 40 -8.145 -1.554 -7.746 1.00 0.00 C ATOM 599 CG LEU A 40 -8.020 -0.651 -6.515 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.363 -0.029 -6.170 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.485 -1.436 -5.329 1.00 0.00 C ATOM 0 H LEU A 40 -6.034 -0.281 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.578 -3.012 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.575 -0.972 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.850 -2.354 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.317 0.148 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.254 0.609 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.714 0.568 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.085 -0.817 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.403 -0.778 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.166 -2.255 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.502 -1.839 -5.573 1.00 0.00 H new ATOM 613 N ALA A 41 -6.974 -1.825 -10.630 1.00 0.00 N ATOM 614 CA ALA A 41 -7.128 -2.216 -12.025 1.00 0.00 C ATOM 615 C ALA A 41 -5.931 -3.022 -12.503 1.00 0.00 C ATOM 616 O ALA A 41 -6.080 -4.100 -13.079 1.00 0.00 O ATOM 617 CB ALA A 41 -7.327 -0.989 -12.903 1.00 0.00 C ATOM 0 H ALA A 41 -6.838 -0.825 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.013 -2.848 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.440 -1.299 -13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.222 -0.455 -12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.461 -0.333 -12.813 1.00 0.00 H new ATOM 623 N ALA A 42 -4.747 -2.492 -12.250 1.00 0.00 N ATOM 624 CA ALA A 42 -3.509 -3.156 -12.642 1.00 0.00 C ATOM 625 C ALA A 42 -3.347 -4.477 -11.905 1.00 0.00 C ATOM 626 O ALA A 42 -2.787 -5.435 -12.438 1.00 0.00 O ATOM 627 CB ALA A 42 -2.310 -2.254 -12.380 1.00 0.00 C ATOM 0 H ALA A 42 -4.613 -1.600 -11.773 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.561 -3.363 -13.711 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.396 -2.767 -12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.414 -1.334 -12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.260 -2.014 -11.318 1.00 0.00 H new ATOM 633 N LEU A 43 -3.837 -4.519 -10.673 1.00 0.00 N ATOM 634 CA LEU A 43 -3.747 -5.720 -9.859 1.00 0.00 C ATOM 635 C LEU A 43 -4.506 -6.875 -10.501 1.00 0.00 C ATOM 636 O LEU A 43 -4.219 -8.044 -10.242 1.00 0.00 O ATOM 637 CB LEU A 43 -4.291 -5.445 -8.459 1.00 0.00 C ATOM 638 CG LEU A 43 -3.282 -4.838 -7.492 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.976 -4.241 -6.279 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.292 -5.897 -7.063 1.00 0.00 C ATOM 0 H LEU A 43 -4.301 -3.734 -10.217 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.697 -6.005 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.145 -4.773 -8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.661 -6.380 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.753 -4.033 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.231 -3.815 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.663 -3.459 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.532 -5.020 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.571 -5.462 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.822 -6.712 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.769 -6.282 -7.938 1.00 0.00 H new ATOM 652 N ALA A 44 -5.475 -6.537 -11.340 1.00 0.00 N ATOM 653 CA ALA A 44 -6.285 -7.537 -12.025 1.00 0.00 C ATOM 654 C ALA A 44 -5.423 -8.515 -12.825 1.00 0.00 C ATOM 655 O ALA A 44 -5.868 -9.613 -13.160 1.00 0.00 O ATOM 656 CB ALA A 44 -7.287 -6.853 -12.940 1.00 0.00 C ATOM 0 H ALA A 44 -5.721 -5.573 -11.564 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.817 -8.112 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.889 -7.606 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.937 -6.207 -12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.755 -6.254 -13.679 1.00 0.00 H new ATOM 662 N SER A 45 -4.195 -8.111 -13.138 1.00 0.00 N ATOM 663 CA SER A 45 -3.288 -8.950 -13.905 1.00 0.00 C ATOM 664 C SER A 45 -2.045 -9.335 -13.098 1.00 0.00 C ATOM 665 O SER A 45 -1.229 -10.136 -13.553 1.00 0.00 O ATOM 666 CB SER A 45 -2.869 -8.240 -15.195 1.00 0.00 C ATOM 667 OG SER A 45 -3.885 -8.332 -16.180 1.00 0.00 O ATOM 0 H SER A 45 -3.808 -7.206 -12.871 1.00 0.00 H new ATOM 0 HA SER A 45 -3.824 -9.867 -14.151 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.656 -7.192 -14.984 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.948 -8.683 -15.575 1.00 0.00 H new ATOM 0 HG SER A 45 -3.595 -7.870 -16.994 1.00 0.00 H new ATOM 673 N LYS A 46 -1.905 -8.767 -11.901 1.00 0.00 N ATOM 674 CA LYS A 46 -0.763 -9.064 -11.046 1.00 0.00 C ATOM 675 C LYS A 46 -1.066 -8.723 -9.591 1.00 0.00 C ATOM 676 O LYS A 46 -1.953 -7.922 -9.301 1.00 0.00 O ATOM 677 CB LYS A 46 0.473 -8.295 -11.514 1.00 0.00 C ATOM 678 CG LYS A 46 1.744 -9.131 -11.529 1.00 0.00 C ATOM 679 CD LYS A 46 2.870 -8.453 -10.762 1.00 0.00 C ATOM 680 CE LYS A 46 4.167 -8.457 -11.553 1.00 0.00 C ATOM 681 NZ LYS A 46 4.292 -7.255 -12.422 1.00 0.00 N ATOM 0 H LYS A 46 -2.568 -8.101 -11.505 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.563 -10.133 -11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.291 -7.908 -12.517 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.623 -7.434 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.542 -10.109 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.056 -9.301 -12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.587 -7.426 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.022 -8.963 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.011 -8.497 -10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.214 -9.356 -12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.190 -7.296 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.500 -7.230 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.273 -6.398 -11.834 1.00 0.00 H new ATOM 695 N THR A 47 -0.324 -9.338 -8.677 1.00 0.00 N ATOM 696 CA THR A 47 -0.512 -9.101 -7.255 1.00 0.00 C ATOM 697 C THR A 47 0.833 -9.000 -6.535 1.00 0.00 C ATOM 698 O THR A 47 1.575 -9.980 -6.461 1.00 0.00 O ATOM 699 CB THR A 47 -1.351 -10.224 -6.638 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.658 -10.232 -7.186 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.486 -10.123 -5.130 1.00 0.00 C ATOM 0 H THR A 47 0.415 -10.006 -8.899 1.00 0.00 H new ATOM 0 HA THR A 47 -1.038 -8.154 -7.136 1.00 0.00 H new ATOM 0 HB THR A 47 -0.815 -11.143 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.178 -10.957 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.093 -10.951 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.498 -10.167 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.965 -9.179 -4.870 1.00 0.00 H new ATOM 709 N PRO A 48 1.168 -7.821 -5.977 1.00 0.00 N ATOM 710 CA PRO A 48 2.417 -7.634 -5.256 1.00 0.00 C ATOM 711 C PRO A 48 2.317 -8.140 -3.827 1.00 0.00 C ATOM 712 O PRO A 48 1.220 -8.369 -3.319 1.00 0.00 O ATOM 713 CB PRO A 48 2.602 -6.121 -5.278 1.00 0.00 C ATOM 714 CG PRO A 48 1.216 -5.582 -5.253 1.00 0.00 C ATOM 715 CD PRO A 48 0.354 -6.589 -5.978 1.00 0.00 C ATOM 0 HA PRO A 48 3.247 -8.183 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.178 -5.778 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.138 -5.799 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.872 -5.443 -4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.169 -4.608 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.598 -6.739 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.125 -6.262 -6.992 1.00 0.00 H new ATOM 723 N ASP A 49 3.458 -8.305 -3.175 1.00 0.00 N ATOM 724 CA ASP A 49 3.469 -8.770 -1.803 1.00 0.00 C ATOM 725 C ASP A 49 3.021 -7.654 -0.869 1.00 0.00 C ATOM 726 O ASP A 49 2.020 -7.778 -0.164 1.00 0.00 O ATOM 727 CB ASP A 49 4.864 -9.278 -1.426 1.00 0.00 C ATOM 728 CG ASP A 49 5.924 -8.193 -1.424 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.063 -7.498 -0.395 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.619 -8.039 -2.450 1.00 0.00 O ATOM 0 H ASP A 49 4.380 -8.125 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 49 2.769 -9.600 -1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.821 -9.734 -0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.158 -10.061 -2.125 1.00 0.00 H new ATOM 735 N VAL A 50 3.759 -6.556 -0.888 1.00 0.00 N ATOM 736 CA VAL A 50 3.441 -5.398 -0.070 1.00 0.00 C ATOM 737 C VAL A 50 2.715 -4.346 -0.905 1.00 0.00 C ATOM 738 O VAL A 50 2.795 -4.366 -2.134 1.00 0.00 O ATOM 739 CB VAL A 50 4.714 -4.789 0.541 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.647 -4.303 -0.556 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.358 -3.665 1.501 1.00 0.00 C ATOM 0 H VAL A 50 4.591 -6.443 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 50 2.791 -5.726 0.741 1.00 0.00 H new ATOM 0 HB VAL A 50 5.235 -5.560 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.543 -3.875 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.926 -5.141 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.142 -3.544 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.271 -3.245 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.815 -2.887 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.732 -4.056 2.303 1.00 0.00 H new ATOM 751 N LEU A 51 2.016 -3.425 -0.251 1.00 0.00 N ATOM 752 CA LEU A 51 1.299 -2.381 -0.972 1.00 0.00 C ATOM 753 C LEU A 51 1.138 -1.120 -0.126 1.00 0.00 C ATOM 754 O LEU A 51 1.122 -1.176 1.100 1.00 0.00 O ATOM 755 CB LEU A 51 -0.071 -2.887 -1.424 1.00 0.00 C ATOM 756 CG LEU A 51 -0.824 -1.948 -2.366 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.079 -1.804 -3.686 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.241 -2.449 -2.603 1.00 0.00 C ATOM 0 H LEU A 51 1.931 -3.380 0.764 1.00 0.00 H new ATOM 0 HA LEU A 51 1.892 -2.123 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.058 -3.849 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.686 -3.064 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.883 -0.966 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.630 -1.132 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.915 -1.396 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.013 -2.781 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.760 -1.767 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.206 -3.443 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.774 -2.497 -1.653 1.00 0.00 H new ATOM 770 N LEU A 52 1.026 0.016 -0.807 1.00 0.00 N ATOM 771 CA LEU A 52 0.869 1.311 -0.151 1.00 0.00 C ATOM 772 C LEU A 52 -0.189 2.141 -0.877 1.00 0.00 C ATOM 773 O LEU A 52 -0.045 2.402 -2.066 1.00 0.00 O ATOM 774 CB LEU A 52 2.202 2.060 -0.164 1.00 0.00 C ATOM 775 CG LEU A 52 3.120 1.815 1.032 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.579 1.807 0.587 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.891 2.877 2.096 1.00 0.00 C ATOM 0 H LEU A 52 1.041 0.066 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 52 0.552 1.150 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.740 1.787 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.995 3.128 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 52 2.886 0.840 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.222 1.631 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.731 1.015 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.828 2.769 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.551 2.691 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.104 3.861 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.854 2.840 2.429 1.00 0.00 H new ATOM 789 N SER A 53 -1.254 2.537 -0.175 1.00 0.00 N ATOM 790 CA SER A 53 -2.338 3.313 -0.797 1.00 0.00 C ATOM 791 C SER A 53 -2.314 4.791 -0.400 1.00 0.00 C ATOM 792 O SER A 53 -2.165 5.127 0.772 1.00 0.00 O ATOM 793 CB SER A 53 -3.693 2.705 -0.417 1.00 0.00 C ATOM 794 OG SER A 53 -4.365 2.195 -1.556 1.00 0.00 O ATOM 0 H SER A 53 -1.392 2.337 0.816 1.00 0.00 H new ATOM 0 HA SER A 53 -2.186 3.265 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.545 1.906 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.312 3.462 0.065 1.00 0.00 H new ATOM 0 HG SER A 53 -5.225 1.812 -1.284 1.00 0.00 H new ATOM 800 N ASP A 54 -2.476 5.668 -1.399 1.00 0.00 N ATOM 801 CA ASP A 54 -2.488 7.113 -1.173 1.00 0.00 C ATOM 802 C ASP A 54 -3.634 7.529 -0.262 1.00 0.00 C ATOM 803 O ASP A 54 -3.543 8.532 0.441 1.00 0.00 O ATOM 804 CB ASP A 54 -2.612 7.868 -2.496 1.00 0.00 C ATOM 805 CG ASP A 54 -2.488 9.371 -2.313 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.315 9.948 -1.579 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.563 9.970 -2.900 1.00 0.00 O ATOM 0 H ASP A 54 -2.601 5.397 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.544 7.365 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.840 7.522 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.573 7.638 -2.955 1.00 0.00 H new ATOM 812 N ILE A 55 -4.716 6.756 -0.289 1.00 0.00 N ATOM 813 CA ILE A 55 -5.899 7.036 0.530 1.00 0.00 C ATOM 814 C ILE A 55 -6.237 8.527 0.547 1.00 0.00 C ATOM 815 O ILE A 55 -5.728 9.275 1.382 1.00 0.00 O ATOM 816 CB ILE A 55 -5.704 6.535 1.983 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.748 7.125 2.935 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.316 6.869 2.486 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.426 6.088 3.792 1.00 0.00 C ATOM 0 H ILE A 55 -4.801 5.924 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.730 6.498 0.074 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.831 5.453 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.267 7.861 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.502 7.655 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.203 6.507 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.573 6.391 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.172 7.949 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.153 6.573 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.935 5.365 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.681 5.575 4.400 1.00 0.00 H new ATOM 831 N ARG A 56 -7.107 8.952 -0.366 1.00 0.00 N ATOM 832 CA ARG A 56 -7.508 10.352 -0.423 1.00 0.00 C ATOM 833 C ARG A 56 -8.597 10.597 -1.468 1.00 0.00 C ATOM 834 O ARG A 56 -8.332 10.629 -2.669 1.00 0.00 O ATOM 835 CB ARG A 56 -6.297 11.248 -0.695 1.00 0.00 C ATOM 836 CG ARG A 56 -5.960 12.165 0.471 1.00 0.00 C ATOM 837 CD ARG A 56 -7.124 13.078 0.816 1.00 0.00 C ATOM 838 NE ARG A 56 -6.674 14.369 1.331 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.181 15.340 0.567 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.067 15.167 -0.745 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.800 16.486 1.113 1.00 0.00 N ATOM 0 H ARG A 56 -7.543 8.354 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.927 10.607 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.433 10.623 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.491 11.853 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.696 11.565 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.086 12.767 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.736 13.236 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.758 12.593 1.558 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.742 14.536 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.358 14.287 -1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.688 15.914 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.885 16.624 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.422 17.230 0.526 1.00 0.00 H new ATOM 855 N MET A 57 -9.818 10.786 -0.973 1.00 0.00 N ATOM 856 CA MET A 57 -10.999 11.060 -1.797 1.00 0.00 C ATOM 857 C MET A 57 -11.071 10.248 -3.100 1.00 0.00 C ATOM 858 O MET A 57 -11.356 10.806 -4.160 1.00 0.00 O ATOM 859 CB MET A 57 -11.075 12.558 -2.113 1.00 0.00 C ATOM 860 CG MET A 57 -9.929 13.067 -2.971 1.00 0.00 C ATOM 861 SD MET A 57 -10.491 14.086 -4.348 1.00 0.00 S ATOM 862 CE MET A 57 -10.203 12.975 -5.723 1.00 0.00 C ATOM 0 H MET A 57 -10.021 10.753 0.026 1.00 0.00 H new ATOM 0 HA MET A 57 -11.856 10.743 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.016 12.764 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 57 -11.090 13.116 -1.177 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.245 13.647 -2.351 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.366 12.218 -3.359 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.825 13.540 -6.575 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.471 12.221 -5.434 1.00 0.00 H new ATOM 0 HE3 MET A 57 -11.138 12.487 -5.998 1.00 0.00 H new ATOM 872 N PRO A 58 -10.856 8.918 -3.050 1.00 0.00 N ATOM 873 CA PRO A 58 -10.946 8.064 -4.230 1.00 0.00 C ATOM 874 C PRO A 58 -12.359 7.504 -4.417 1.00 0.00 C ATOM 875 O PRO A 58 -12.966 7.648 -5.479 1.00 0.00 O ATOM 876 CB PRO A 58 -9.971 6.942 -3.900 1.00 0.00 C ATOM 877 CG PRO A 58 -10.009 6.818 -2.410 1.00 0.00 C ATOM 878 CD PRO A 58 -10.536 8.127 -1.851 1.00 0.00 C ATOM 0 HA PRO A 58 -10.720 8.594 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.266 6.009 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.966 7.177 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.651 5.989 -2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.014 6.608 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.417 7.970 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.792 8.625 -1.230 1.00 0.00 H new ATOM 886 N GLY A 59 -12.870 6.873 -3.363 1.00 0.00 N ATOM 887 CA GLY A 59 -14.203 6.297 -3.382 1.00 0.00 C ATOM 888 C GLY A 59 -14.875 6.392 -2.021 1.00 0.00 C ATOM 889 O GLY A 59 -16.102 6.345 -1.919 1.00 0.00 O ATOM 0 H GLY A 59 -12.373 6.749 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.812 6.812 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.144 5.252 -3.687 1.00 0.00 H new ATOM 893 N MET A 60 -14.059 6.533 -0.974 1.00 0.00 N ATOM 894 CA MET A 60 -14.548 6.647 0.395 1.00 0.00 C ATOM 895 C MET A 60 -13.445 7.185 1.302 1.00 0.00 C ATOM 896 O MET A 60 -12.938 6.473 2.174 1.00 0.00 O ATOM 897 CB MET A 60 -15.043 5.296 0.924 1.00 0.00 C ATOM 898 CG MET A 60 -15.708 5.382 2.289 1.00 0.00 C ATOM 899 SD MET A 60 -17.460 5.796 2.192 1.00 0.00 S ATOM 900 CE MET A 60 -18.052 5.098 3.732 1.00 0.00 C ATOM 0 H MET A 60 -13.043 6.571 -1.055 1.00 0.00 H new ATOM 0 HA MET A 60 -15.389 7.341 0.394 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.751 4.873 0.211 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.200 4.608 0.983 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.593 4.428 2.804 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.195 6.133 2.891 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.124 5.272 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.856 4.026 3.745 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.536 5.571 4.568 1.00 0.00 H new ATOM 910 N ASP A 61 -13.075 8.447 1.073 1.00 0.00 N ATOM 911 CA ASP A 61 -12.036 9.124 1.857 1.00 0.00 C ATOM 912 C ASP A 61 -10.634 8.604 1.547 1.00 0.00 C ATOM 913 O ASP A 61 -9.643 9.289 1.798 1.00 0.00 O ATOM 914 CB ASP A 61 -12.320 8.965 3.352 1.00 0.00 C ATOM 915 CG ASP A 61 -12.248 10.282 4.102 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.425 11.341 3.463 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.017 10.254 5.329 1.00 0.00 O ATOM 0 H ASP A 61 -13.485 9.028 0.342 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.064 10.177 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.310 8.528 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.603 8.266 3.782 1.00 0.00 H new ATOM 922 N GLY A 62 -10.552 7.390 1.029 1.00 0.00 N ATOM 923 CA GLY A 62 -9.267 6.800 0.727 1.00 0.00 C ATOM 924 C GLY A 62 -9.215 5.356 1.163 1.00 0.00 C ATOM 925 O GLY A 62 -8.488 4.547 0.586 1.00 0.00 O ATOM 0 H GLY A 62 -11.356 6.801 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.076 6.867 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.479 7.363 1.227 1.00 0.00 H new ATOM 929 N LEU A 63 -10.002 5.034 2.184 1.00 0.00 N ATOM 930 CA LEU A 63 -10.060 3.683 2.700 1.00 0.00 C ATOM 931 C LEU A 63 -10.901 2.805 1.778 1.00 0.00 C ATOM 932 O LEU A 63 -10.778 1.580 1.792 1.00 0.00 O ATOM 933 CB LEU A 63 -10.614 3.663 4.129 1.00 0.00 C ATOM 934 CG LEU A 63 -9.808 4.477 5.148 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.297 5.915 5.188 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.895 3.854 6.533 1.00 0.00 C ATOM 0 H LEU A 63 -10.608 5.697 2.668 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.047 3.282 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.636 4.041 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.662 2.629 4.469 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.764 4.470 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.713 6.478 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.180 6.367 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.349 5.934 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.315 4.450 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.936 3.825 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.496 2.840 6.502 1.00 0.00 H new ATOM 948 N ALA A 64 -11.744 3.438 0.955 1.00 0.00 N ATOM 949 CA ALA A 64 -12.581 2.694 0.015 1.00 0.00 C ATOM 950 C ALA A 64 -11.728 1.772 -0.841 1.00 0.00 C ATOM 951 O ALA A 64 -12.161 0.687 -1.230 1.00 0.00 O ATOM 952 CB ALA A 64 -13.362 3.647 -0.875 1.00 0.00 C ATOM 0 H ALA A 64 -11.862 4.451 0.922 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.285 2.093 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.979 3.075 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.000 4.280 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.668 4.271 -1.438 1.00 0.00 H new ATOM 958 N LEU A 65 -10.505 2.208 -1.125 1.00 0.00 N ATOM 959 CA LEU A 65 -9.586 1.415 -1.925 1.00 0.00 C ATOM 960 C LEU A 65 -9.382 0.056 -1.269 1.00 0.00 C ATOM 961 O LEU A 65 -9.421 -0.979 -1.932 1.00 0.00 O ATOM 962 CB LEU A 65 -8.245 2.140 -2.077 1.00 0.00 C ATOM 963 CG LEU A 65 -8.342 3.590 -2.560 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.055 4.346 -2.259 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.647 3.630 -4.048 1.00 0.00 C ATOM 0 H LEU A 65 -10.131 3.104 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.011 1.273 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.732 2.127 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.625 1.581 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.156 4.078 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.146 5.374 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.875 4.345 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.221 3.861 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.713 4.667 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.852 3.125 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.595 3.127 -4.239 1.00 0.00 H new ATOM 977 N LEU A 66 -9.192 0.073 0.047 1.00 0.00 N ATOM 978 CA LEU A 66 -9.005 -1.153 0.813 1.00 0.00 C ATOM 979 C LEU A 66 -10.173 -2.105 0.565 1.00 0.00 C ATOM 980 O LEU A 66 -9.980 -3.300 0.345 1.00 0.00 O ATOM 981 CB LEU A 66 -8.886 -0.838 2.312 1.00 0.00 C ATOM 982 CG LEU A 66 -7.582 -0.155 2.751 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.367 -0.928 2.256 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.537 1.284 2.260 1.00 0.00 C ATOM 0 H LEU A 66 -9.164 0.926 0.606 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.081 -1.632 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.722 -0.199 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.992 -1.769 2.869 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.557 -0.148 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.457 -0.423 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.387 -1.938 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.386 -0.977 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.605 1.749 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.593 1.299 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.380 1.836 2.674 1.00 0.00 H new ATOM 996 N LYS A 67 -11.389 -1.559 0.594 1.00 0.00 N ATOM 997 CA LYS A 67 -12.598 -2.353 0.364 1.00 0.00 C ATOM 998 C LYS A 67 -12.499 -3.145 -0.942 1.00 0.00 C ATOM 999 O LYS A 67 -12.833 -4.328 -0.992 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.832 -1.445 0.326 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.149 -2.197 0.466 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.194 -1.694 -0.521 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.627 -2.788 -1.485 1.00 0.00 C ATOM 1004 NZ LYS A 67 -15.625 -3.008 -2.563 1.00 0.00 N ATOM 0 H LYS A 67 -11.564 -0.570 0.774 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.695 -3.059 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.756 -0.710 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.837 -0.893 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.979 -3.261 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.525 -2.085 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.062 -1.325 0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.789 -0.852 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.778 -3.717 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.586 -2.521 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.051 -3.578 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.322 -2.091 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.801 -3.509 -2.174 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.041 -2.489 -2.001 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.903 -3.142 -3.296 1.00 0.00 C ATOM 1020 C GLN A 68 -10.812 -4.205 -3.247 1.00 0.00 C ATOM 1021 O GLN A 68 -10.870 -5.207 -3.959 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.564 -2.124 -4.382 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.543 -0.966 -4.472 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.911 -1.397 -4.959 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.926 -1.124 -4.319 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -13.945 -2.080 -6.097 1.00 0.00 N ATOM 0 H GLN A 68 -11.760 -1.509 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.856 -3.614 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.566 -1.728 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.530 -2.633 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.641 -0.500 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.143 -0.209 -5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.079 -2.284 -6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.837 -2.400 -6.473 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.810 -3.964 -2.413 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.689 -4.883 -2.274 1.00 0.00 C ATOM 1037 C ILE A 69 -9.133 -6.238 -1.741 1.00 0.00 C ATOM 1038 O ILE A 69 -8.662 -7.279 -2.196 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.595 -4.291 -1.357 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.029 -3.009 -1.973 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.478 -5.301 -1.104 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.163 -2.220 -1.018 1.00 0.00 C ATOM 0 H ILE A 69 -9.751 -3.136 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.273 -5.029 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.050 -4.051 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.444 -3.266 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.854 -2.380 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.724 -4.855 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.891 -6.188 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.020 -5.583 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.794 -1.324 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.751 -1.934 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.319 -2.833 -0.701 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.034 -6.218 -0.775 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.531 -7.449 -0.180 1.00 0.00 C ATOM 1056 C LYS A 70 -11.501 -8.163 -1.112 1.00 0.00 C ATOM 1057 O LYS A 70 -11.713 -9.370 -0.995 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.201 -7.169 1.167 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.535 -6.450 1.068 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.880 -5.749 2.373 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.371 -5.806 2.664 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.813 -7.177 3.041 1.00 0.00 N ATOM 0 H LYS A 70 -10.437 -5.366 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.675 -8.103 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.350 -8.115 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.525 -6.571 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.499 -5.721 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.319 -7.165 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.331 -6.214 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.558 -4.709 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.610 -5.113 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.925 -5.475 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.744 -7.127 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.881 -7.767 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.123 -7.596 3.697 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.095 -7.411 -2.026 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.048 -7.976 -2.963 1.00 0.00 C ATOM 1078 C GLN A 71 -12.340 -8.648 -4.143 1.00 0.00 C ATOM 1079 O GLN A 71 -12.842 -9.623 -4.703 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.022 -6.878 -3.426 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.619 -7.076 -4.816 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.434 -5.864 -5.711 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.287 -5.201 -5.589 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -15.311 -5.528 -6.506 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.933 -6.410 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.620 -8.757 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.837 -6.812 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.500 -5.921 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.156 -7.944 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.683 -7.294 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.176 -6.065 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.173 -4.713 -7.103 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.184 -8.119 -4.523 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.423 -8.671 -5.649 1.00 0.00 C ATOM 1095 C ARG A 72 -9.183 -9.426 -5.190 1.00 0.00 C ATOM 1096 O ARG A 72 -9.015 -10.611 -5.480 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.012 -7.555 -6.615 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.175 -6.964 -7.391 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.733 -5.798 -8.261 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.658 -5.567 -9.368 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.288 -5.155 -10.580 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.011 -4.905 -10.848 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.201 -4.989 -11.527 1.00 0.00 N ATOM 0 H ARG A 72 -10.750 -7.312 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.078 -9.378 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.521 -6.761 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.278 -7.947 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.625 -7.735 -8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.944 -6.629 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.662 -4.897 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.736 -5.996 -8.655 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.651 -5.732 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.304 -5.028 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.737 -4.590 -11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.183 -5.177 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.921 -4.674 -12.456 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.311 -8.720 -4.498 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.057 -9.295 -4.011 1.00 0.00 C ATOM 1119 C HIS A 73 -7.272 -10.082 -2.719 1.00 0.00 C ATOM 1120 O HIS A 73 -8.111 -9.720 -1.895 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.030 -8.179 -3.805 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.238 -7.032 -4.751 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.389 -5.708 -4.524 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -6.374 -7.202 -6.113 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -6.616 -5.108 -5.739 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -6.602 -6.031 -6.681 1.00 0.00 N flip ATOM 0 H HIS A 73 -8.443 -7.738 -4.255 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.680 -9.995 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.091 -7.817 -2.779 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.026 -8.582 -3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.305 -8.145 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.779 -4.052 -5.897 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.743 -5.869 -7.678 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.521 -11.185 -2.531 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.633 -12.033 -1.358 1.00 0.00 C ATOM 1137 C PRO A 74 -5.612 -11.698 -0.277 1.00 0.00 C ATOM 1138 O PRO A 74 -4.444 -12.079 -0.367 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.349 -13.412 -1.939 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.371 -13.165 -3.047 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.508 -11.712 -3.454 1.00 0.00 C ATOM 0 HA PRO A 74 -7.598 -11.928 -0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.933 -14.081 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.260 -13.880 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.354 -13.377 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.575 -13.822 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.562 -11.178 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.824 -11.615 -4.493 1.00 0.00 H new ATOM 1149 N MET A 75 -6.072 -11.010 0.754 1.00 0.00 N ATOM 1150 CA MET A 75 -5.227 -10.641 1.877 1.00 0.00 C ATOM 1151 C MET A 75 -3.980 -9.894 1.425 1.00 0.00 C ATOM 1152 O MET A 75 -2.908 -10.051 2.009 1.00 0.00 O ATOM 1153 CB MET A 75 -4.843 -11.901 2.640 1.00 0.00 C ATOM 1154 CG MET A 75 -5.955 -12.436 3.530 1.00 0.00 C ATOM 1155 SD MET A 75 -5.347 -13.107 5.088 1.00 0.00 S ATOM 1156 CE MET A 75 -6.671 -12.629 6.194 1.00 0.00 C ATOM 0 H MET A 75 -7.038 -10.692 0.836 1.00 0.00 H new ATOM 0 HA MET A 75 -5.786 -9.967 2.526 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.556 -12.674 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.967 -11.691 3.254 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.664 -11.635 3.738 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.500 -13.213 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.444 -12.973 7.203 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.771 -11.544 6.194 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.605 -13.079 5.859 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.126 -9.072 0.392 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.011 -8.294 -0.125 1.00 0.00 C ATOM 1168 C LEU A 76 -2.528 -7.284 0.919 1.00 0.00 C ATOM 1169 O LEU A 76 -3.222 -6.313 1.208 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.433 -7.554 -1.396 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.358 -7.423 -2.472 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.939 -6.749 -3.704 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.160 -6.642 -1.947 1.00 0.00 C ATOM 0 H LEU A 76 -5.006 -8.928 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.194 -8.978 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.292 -8.069 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.767 -6.554 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.014 -8.420 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.167 -6.659 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.764 -7.347 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.304 -5.757 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.407 -6.561 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.480 -5.644 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.735 -7.161 -1.088 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.325 -7.488 1.490 1.00 0.00 N ATOM 1186 CA PRO A 77 -0.769 -6.569 2.491 1.00 0.00 C ATOM 1187 C PRO A 77 -0.736 -5.132 1.981 1.00 0.00 C ATOM 1188 O PRO A 77 -0.056 -4.828 1.000 1.00 0.00 O ATOM 1189 CB PRO A 77 0.656 -7.089 2.707 1.00 0.00 C ATOM 1190 CG PRO A 77 0.612 -8.519 2.295 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.419 -8.613 1.203 1.00 0.00 C ATOM 0 HA PRO A 77 -1.366 -6.545 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.375 -6.528 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.959 -6.988 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.587 -8.851 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.346 -9.158 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.033 -8.523 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.944 -9.568 1.227 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.482 -4.249 2.641 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.537 -2.848 2.233 1.00 0.00 C ATOM 1201 C VAL A 78 -1.108 -1.908 3.354 1.00 0.00 C ATOM 1202 O VAL A 78 -1.372 -2.154 4.533 1.00 0.00 O ATOM 1203 CB VAL A 78 -2.954 -2.439 1.777 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.900 -1.199 0.897 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.643 -3.582 1.051 1.00 0.00 C ATOM 0 H VAL A 78 -2.053 -4.477 3.455 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.842 -2.758 1.398 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.538 -2.203 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.909 -0.929 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.459 -0.374 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.293 -1.405 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.639 -3.268 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.060 -3.859 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.725 -4.440 1.718 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.469 -0.815 2.961 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.015 0.202 3.895 1.00 0.00 C ATOM 1217 C ILE A 79 -0.642 1.537 3.516 1.00 0.00 C ATOM 1218 O ILE A 79 -0.420 2.045 2.419 1.00 0.00 O ATOM 1219 CB ILE A 79 1.519 0.338 3.896 1.00 0.00 C ATOM 1220 CG1 ILE A 79 2.188 -1.037 3.954 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.973 1.191 5.066 1.00 0.00 C ATOM 1222 CD1 ILE A 79 3.390 -1.164 3.043 1.00 0.00 C ATOM 0 H ILE A 79 -0.251 -0.610 1.986 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.321 -0.097 4.898 1.00 0.00 H new ATOM 0 HB ILE A 79 1.817 0.826 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.497 -1.239 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.457 -1.799 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.059 1.278 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.529 2.183 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.657 0.726 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.813 -2.164 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.084 -0.994 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.140 -0.425 3.325 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.455 2.085 4.402 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.144 3.336 4.118 1.00 0.00 C ATOM 1236 C ILE A 80 -1.370 4.556 4.630 1.00 0.00 C ATOM 1237 O ILE A 80 -1.085 4.677 5.821 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.563 3.314 4.717 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.195 1.933 4.522 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.424 4.382 4.075 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.285 1.515 3.071 1.00 0.00 C ATOM 0 H ILE A 80 -1.655 1.688 5.320 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.211 3.428 3.034 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.495 3.521 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.611 1.193 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.195 1.935 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.423 4.353 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.980 5.362 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.489 4.201 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.742 0.528 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.893 2.234 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.285 1.482 2.639 1.00 0.00 H new ATOM 1253 N MET A 81 -1.031 5.449 3.697 1.00 0.00 N ATOM 1254 CA MET A 81 -0.280 6.671 4.001 1.00 0.00 C ATOM 1255 C MET A 81 -1.145 7.726 4.705 1.00 0.00 C ATOM 1256 O MET A 81 -0.632 8.747 5.163 1.00 0.00 O ATOM 1257 CB MET A 81 0.282 7.253 2.705 1.00 0.00 C ATOM 1258 CG MET A 81 -0.773 7.445 1.629 1.00 0.00 C ATOM 1259 SD MET A 81 -0.750 9.093 0.897 1.00 0.00 S ATOM 1260 CE MET A 81 -0.525 10.121 2.340 1.00 0.00 C ATOM 0 H MET A 81 -1.269 5.346 2.710 1.00 0.00 H new ATOM 0 HA MET A 81 0.528 6.403 4.682 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.752 8.213 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.062 6.593 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.621 6.704 0.844 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.758 7.259 2.057 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.144 11.014 2.251 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.815 9.565 3.232 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.522 10.413 2.419 1.00 0.00 H new ATOM 1270 N THR A 82 -2.455 7.487 4.779 1.00 0.00 N ATOM 1271 CA THR A 82 -3.376 8.437 5.416 1.00 0.00 C ATOM 1272 C THR A 82 -4.547 7.731 6.089 1.00 0.00 C ATOM 1273 O THR A 82 -5.160 6.833 5.517 1.00 0.00 O ATOM 1274 CB THR A 82 -3.917 9.425 4.378 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.902 9.814 3.472 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.492 10.688 4.986 1.00 0.00 C ATOM 0 H THR A 82 -2.903 6.649 4.409 1.00 0.00 H new ATOM 0 HA THR A 82 -2.811 8.969 6.182 1.00 0.00 H new ATOM 0 HB THR A 82 -4.718 8.888 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.271 10.444 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.856 11.341 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.317 10.429 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.717 11.204 5.554 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.879 8.165 7.298 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.002 7.589 8.023 1.00 0.00 C ATOM 1286 C ALA A 83 -6.869 8.686 8.625 1.00 0.00 C ATOM 1287 O ALA A 83 -6.707 9.060 9.787 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.535 6.623 9.096 1.00 0.00 C ATOM 0 H ALA A 83 -4.389 8.910 7.794 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.603 7.024 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.400 6.212 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.970 5.813 8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.899 7.149 9.808 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.781 9.208 7.813 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.678 10.276 8.246 1.00 0.00 C ATOM 1296 C HIS A 84 -9.645 9.778 9.320 1.00 0.00 C ATOM 1297 O HIS A 84 -9.364 8.798 10.008 1.00 0.00 O ATOM 1298 CB HIS A 84 -9.464 10.820 7.048 1.00 0.00 C ATOM 1299 CG HIS A 84 -8.620 11.085 5.843 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.487 10.396 4.684 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -7.782 12.174 5.739 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.580 11.078 3.911 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -7.171 12.147 4.569 1.00 0.00 N flip ATOM 0 H HIS A 84 -7.920 8.909 6.848 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.073 11.076 8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.245 10.107 6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.962 11.744 7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.646 12.932 6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.254 10.787 2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.498 12.835 4.231 1.00 0.00 H new ATOM 1312 N SER A 85 -10.781 10.459 9.466 1.00 0.00 N ATOM 1313 CA SER A 85 -11.776 10.084 10.467 1.00 0.00 C ATOM 1314 C SER A 85 -12.732 9.018 9.938 1.00 0.00 C ATOM 1315 O SER A 85 -13.933 9.067 10.203 1.00 0.00 O ATOM 1316 CB SER A 85 -12.568 11.313 10.912 1.00 0.00 C ATOM 1317 OG SER A 85 -11.733 12.457 11.004 1.00 0.00 O ATOM 0 H SER A 85 -11.034 11.272 8.904 1.00 0.00 H new ATOM 0 HA SER A 85 -11.242 9.666 11.321 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.375 11.505 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.032 11.119 11.879 1.00 0.00 H new ATOM 0 HG SER A 85 -12.266 13.229 11.289 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.194 8.052 9.205 1.00 0.00 N ATOM 1324 CA ASP A 86 -12.999 6.969 8.657 1.00 0.00 C ATOM 1325 C ASP A 86 -12.368 5.627 9.000 1.00 0.00 C ATOM 1326 O ASP A 86 -12.407 4.688 8.210 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.143 7.109 7.140 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.564 6.862 6.670 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.503 7.174 7.431 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.737 6.355 5.540 1.00 0.00 O ATOM 0 H ASP A 86 -11.202 7.997 8.976 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.993 7.022 9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.832 8.109 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.472 6.405 6.647 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.787 5.550 10.196 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.137 4.329 10.669 1.00 0.00 C ATOM 1337 C LEU A 87 -11.992 3.087 10.404 1.00 0.00 C ATOM 1338 O LEU A 87 -11.481 1.969 10.369 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.834 4.442 12.167 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.349 4.531 12.527 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.599 3.312 12.011 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.739 5.812 11.973 1.00 0.00 C ATOM 0 H LEU A 87 -11.753 6.324 10.859 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.206 4.216 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.340 5.325 12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.263 3.578 12.674 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.260 4.552 13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.545 3.394 12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.017 2.411 12.459 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.697 3.257 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.683 5.857 12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.840 5.824 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.257 6.674 12.395 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.295 3.288 10.228 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.219 2.181 9.982 1.00 0.00 C ATOM 1356 C ASP A 88 -13.689 1.239 8.903 1.00 0.00 C ATOM 1357 O ASP A 88 -13.561 0.038 9.135 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.591 2.719 9.572 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.478 3.005 10.768 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.135 3.909 11.559 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.517 2.327 10.911 1.00 0.00 O ATOM 0 H ASP A 88 -13.737 4.207 10.251 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.313 1.616 10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.462 3.633 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.083 1.995 8.922 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.377 1.780 7.729 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.858 0.961 6.645 1.00 0.00 C ATOM 1368 C ALA A 89 -11.451 0.470 6.968 1.00 0.00 C ATOM 1369 O ALA A 89 -10.999 -0.544 6.437 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.871 1.729 5.332 1.00 0.00 C ATOM 0 H ALA A 89 -13.474 2.771 7.508 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.507 0.092 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.478 1.096 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.893 2.022 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.251 2.620 5.426 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.768 1.190 7.854 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.417 0.817 8.256 1.00 0.00 C ATOM 1378 C ALA A 90 -9.437 -0.469 9.071 1.00 0.00 C ATOM 1379 O ALA A 90 -8.621 -1.363 8.849 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.755 1.938 9.047 1.00 0.00 C ATOM 0 H ALA A 90 -11.127 2.031 8.305 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.831 0.646 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.748 1.635 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.701 2.836 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.341 2.147 9.942 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.376 -0.567 10.011 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.484 -1.759 10.840 1.00 0.00 C ATOM 1388 C VAL A 91 -10.865 -2.970 9.999 1.00 0.00 C ATOM 1389 O VAL A 91 -10.304 -4.052 10.168 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.505 -1.595 11.980 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.357 -2.735 12.979 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.331 -0.251 12.670 1.00 0.00 C ATOM 0 H VAL A 91 -11.064 0.158 10.214 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.501 -1.911 11.286 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.509 -1.628 11.557 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.083 -2.611 13.782 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.532 -3.685 12.475 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.350 -2.725 13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.063 -0.156 13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.326 -0.183 13.086 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.480 0.551 11.947 1.00 0.00 H new ATOM 1402 N SER A 92 -11.809 -2.780 9.080 1.00 0.00 N ATOM 1403 CA SER A 92 -12.235 -3.864 8.207 1.00 0.00 C ATOM 1404 C SER A 92 -11.101 -4.249 7.266 1.00 0.00 C ATOM 1405 O SER A 92 -11.044 -5.373 6.770 1.00 0.00 O ATOM 1406 CB SER A 92 -13.478 -3.469 7.408 1.00 0.00 C ATOM 1407 OG SER A 92 -13.240 -2.317 6.618 1.00 0.00 O ATOM 0 H SER A 92 -12.288 -1.893 8.923 1.00 0.00 H new ATOM 0 HA SER A 92 -12.492 -4.723 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.778 -4.297 6.766 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.306 -3.279 8.091 1.00 0.00 H new ATOM 0 HG SER A 92 -12.328 -1.995 6.776 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.186 -3.311 7.039 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.046 -3.563 6.179 1.00 0.00 C ATOM 1415 C ALA A 93 -8.146 -4.613 6.810 1.00 0.00 C ATOM 1416 O ALA A 93 -7.600 -5.476 6.130 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.286 -2.276 5.917 1.00 0.00 C ATOM 0 H ALA A 93 -10.216 -2.374 7.440 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.398 -3.943 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.433 -2.482 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.945 -1.557 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.933 -1.863 6.862 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.022 -4.549 8.126 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.222 -5.521 8.859 1.00 0.00 C ATOM 1425 C TYR A 94 -7.902 -6.883 8.795 1.00 0.00 C ATOM 1426 O TYR A 94 -7.261 -7.924 8.940 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.055 -5.112 10.325 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.729 -3.652 10.537 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.716 -3.031 9.818 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.431 -2.898 11.467 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.415 -1.696 10.019 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.137 -1.564 11.673 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.128 -0.967 10.948 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.829 0.362 11.151 1.00 0.00 O ATOM 0 H TYR A 94 -8.463 -3.837 8.708 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.235 -5.566 8.400 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.974 -5.347 10.861 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.264 -5.716 10.769 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.155 -3.599 9.091 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.221 -3.362 12.039 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.625 -1.227 9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.695 -0.991 12.399 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.424 0.730 11.837 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.214 -6.856 8.576 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.009 -8.074 8.489 1.00 0.00 C ATOM 1446 C GLN A 95 -9.764 -8.771 7.154 1.00 0.00 C ATOM 1447 O GLN A 95 -9.853 -9.996 7.057 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.500 -7.746 8.679 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.456 -8.712 7.992 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.633 -8.411 6.516 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.994 -7.170 6.199 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -12.444 -9.282 5.667 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.750 -5.997 8.455 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.707 -8.755 9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.722 -7.733 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.688 -6.741 8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.084 -9.730 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.427 -8.669 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.168 -10.221 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.563 -9.064 4.678 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.446 -7.984 6.130 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.181 -8.534 4.815 1.00 0.00 C ATOM 1463 C GLN A 96 -7.694 -8.819 4.628 1.00 0.00 C ATOM 1464 O GLN A 96 -7.316 -9.577 3.741 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.688 -7.601 3.713 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.939 -6.283 3.619 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.886 -6.281 2.528 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.202 -6.357 1.342 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.623 -6.193 2.929 1.00 0.00 N ATOM 0 H GLN A 96 -9.367 -6.969 6.190 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.722 -9.477 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.616 -8.116 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.744 -7.394 3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.651 -5.479 3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.463 -6.072 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.407 -6.132 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.869 -6.187 2.242 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.851 -8.227 5.479 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.419 -8.464 5.382 1.00 0.00 C ATOM 1480 C GLY A 97 -4.589 -7.194 5.275 1.00 0.00 C ATOM 1481 O GLY A 97 -3.474 -7.225 4.755 1.00 0.00 O ATOM 0 H GLY A 97 -7.133 -7.593 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.094 -9.026 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.222 -9.089 4.511 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.119 -6.080 5.771 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.398 -4.813 5.729 1.00 0.00 C ATOM 1487 C ALA A 98 -3.196 -4.849 6.666 1.00 0.00 C ATOM 1488 O ALA A 98 -3.246 -5.482 7.720 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.320 -3.665 6.105 1.00 0.00 C ATOM 0 H ALA A 98 -6.041 -6.029 6.205 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.041 -4.657 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.766 -2.727 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.153 -3.622 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.703 -3.821 7.113 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.115 -4.174 6.284 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.918 -4.154 7.110 1.00 0.00 C ATOM 1497 C PHE A 99 -1.052 -3.163 8.263 1.00 0.00 C ATOM 1498 O PHE A 99 -0.851 -3.523 9.422 1.00 0.00 O ATOM 1499 CB PHE A 99 0.320 -3.824 6.275 1.00 0.00 C ATOM 1500 CG PHE A 99 1.608 -4.030 7.021 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.894 -5.246 7.621 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.531 -3.004 7.126 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.078 -5.434 8.311 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.715 -3.187 7.813 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.990 -4.403 8.405 1.00 0.00 C ATOM 0 H PHE A 99 -2.046 -3.640 5.417 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.799 -5.153 7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.323 -4.445 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.261 -2.787 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.184 -6.057 7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.323 -2.050 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.288 -6.386 8.775 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.426 -2.378 7.887 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.917 -4.547 8.940 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.389 -1.911 7.949 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.540 -0.890 8.988 1.00 0.00 C ATOM 1517 C ASP A 100 -1.915 0.471 8.401 1.00 0.00 C ATOM 1518 O ASP A 100 -2.327 0.570 7.246 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.246 -0.774 9.802 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.503 -0.768 11.296 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.601 -0.335 11.708 1.00 0.00 O ATOM 1522 OD2 ASP A 100 0.391 -1.197 12.055 1.00 0.00 O ATOM 0 H ASP A 100 -1.560 -1.582 6.999 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.355 -1.202 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.413 -1.606 9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.276 0.141 9.522 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.770 1.514 9.218 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.094 2.877 8.801 1.00 0.00 C ATOM 1529 C TYR A 101 -1.026 3.854 9.287 1.00 0.00 C ATOM 1530 O TYR A 101 -0.754 3.944 10.484 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.471 3.289 9.343 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.603 3.026 8.378 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.230 1.786 8.315 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.038 4.025 7.520 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.259 1.554 7.422 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.066 3.801 6.629 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.673 2.565 6.582 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.695 2.338 5.688 1.00 0.00 O ATOM 0 H TYR A 101 -1.429 1.440 10.176 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.122 2.905 7.712 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.663 2.751 10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.453 4.351 9.588 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.908 0.993 8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.564 4.995 7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.736 0.586 7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.394 4.591 5.970 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.694 1.395 5.422 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.418 4.578 8.350 1.00 0.00 N ATOM 1549 CA LEU A 102 0.627 5.542 8.684 1.00 0.00 C ATOM 1550 C LEU A 102 0.261 6.944 8.177 1.00 0.00 C ATOM 1551 O LEU A 102 -0.331 7.085 7.111 1.00 0.00 O ATOM 1552 CB LEU A 102 1.969 5.078 8.097 1.00 0.00 C ATOM 1553 CG LEU A 102 2.202 5.426 6.623 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.102 6.637 6.506 1.00 0.00 C ATOM 1555 CD2 LEU A 102 2.807 4.249 5.867 1.00 0.00 C ATOM 0 H LEU A 102 -0.631 4.515 7.354 1.00 0.00 H new ATOM 0 HA LEU A 102 0.720 5.598 9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.774 5.516 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.041 3.997 8.212 1.00 0.00 H new ATOM 0 HG LEU A 102 1.235 5.655 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.259 6.873 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.634 7.487 7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.062 6.424 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.961 4.527 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.764 3.981 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.130 3.396 5.920 1.00 0.00 H new ATOM 1567 N PRO A 103 0.597 8.001 8.947 1.00 0.00 N ATOM 1568 CA PRO A 103 0.285 9.394 8.575 1.00 0.00 C ATOM 1569 C PRO A 103 0.809 9.776 7.191 1.00 0.00 C ATOM 1570 O PRO A 103 1.493 8.987 6.539 1.00 0.00 O ATOM 1571 CB PRO A 103 0.993 10.218 9.655 1.00 0.00 C ATOM 1572 CG PRO A 103 1.114 9.298 10.820 1.00 0.00 C ATOM 1573 CD PRO A 103 1.292 7.921 10.244 1.00 0.00 C ATOM 0 HA PRO A 103 -0.791 9.560 8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.972 10.557 9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.419 11.108 9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.963 9.572 11.447 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.225 9.346 11.449 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.346 7.670 10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.856 7.157 10.887 1.00 0.00 H new ATOM 1581 N LYS A 104 0.480 10.997 6.746 1.00 0.00 N ATOM 1582 CA LYS A 104 0.916 11.488 5.435 1.00 0.00 C ATOM 1583 C LYS A 104 2.380 11.147 5.180 1.00 0.00 C ATOM 1584 O LYS A 104 2.707 10.541 4.159 1.00 0.00 O ATOM 1585 CB LYS A 104 0.701 13.001 5.309 1.00 0.00 C ATOM 1586 CG LYS A 104 1.250 13.597 4.012 1.00 0.00 C ATOM 1587 CD LYS A 104 0.454 13.143 2.792 1.00 0.00 C ATOM 1588 CE LYS A 104 1.356 12.509 1.735 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.591 12.036 0.537 1.00 0.00 N ATOM 0 H LYS A 104 -0.086 11.660 7.275 1.00 0.00 H new ATOM 0 HA LYS A 104 0.306 10.988 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.366 13.213 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.175 13.498 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.228 14.685 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.294 13.306 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.307 12.425 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.069 13.996 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.106 13.234 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.891 11.668 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.740 11.014 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.422 12.223 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.924 12.541 -0.309 1.00 0.00 H new ATOM 1603 N PRO A 105 3.292 11.510 6.106 1.00 0.00 N ATOM 1604 CA PRO A 105 4.711 11.205 5.950 1.00 0.00 C ATOM 1605 C PRO A 105 4.902 9.745 5.580 1.00 0.00 C ATOM 1606 O PRO A 105 3.992 8.942 5.741 1.00 0.00 O ATOM 1607 CB PRO A 105 5.324 11.504 7.329 1.00 0.00 C ATOM 1608 CG PRO A 105 4.164 11.755 8.241 1.00 0.00 C ATOM 1609 CD PRO A 105 3.030 12.216 7.367 1.00 0.00 C ATOM 0 HA PRO A 105 5.179 11.788 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.925 10.665 7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.983 12.371 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.893 10.849 8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.412 12.511 8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.060 11.950 7.787 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.034 13.298 7.235 1.00 0.00 H new ATOM 1617 N PHE A 106 6.076 9.406 5.083 1.00 0.00 N ATOM 1618 CA PHE A 106 6.375 8.042 4.697 1.00 0.00 C ATOM 1619 C PHE A 106 7.727 7.975 3.998 1.00 0.00 C ATOM 1620 O PHE A 106 8.731 7.627 4.618 1.00 0.00 O ATOM 1621 CB PHE A 106 5.273 7.419 3.825 1.00 0.00 C ATOM 1622 CG PHE A 106 4.558 8.348 2.879 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.104 9.563 2.484 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.332 7.972 2.358 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.443 10.377 1.586 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.664 8.786 1.466 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.222 9.988 1.076 1.00 0.00 C ATOM 0 H PHE A 106 6.843 10.062 4.937 1.00 0.00 H new ATOM 0 HA PHE A 106 6.418 7.450 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.716 6.612 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.532 6.966 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.057 9.875 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.893 7.030 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.881 11.317 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.705 8.483 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.703 10.622 0.373 1.00 0.00 H new ATOM 1637 N ASP A 107 7.758 8.304 2.709 1.00 0.00 N ATOM 1638 CA ASP A 107 8.993 8.270 1.945 1.00 0.00 C ATOM 1639 C ASP A 107 9.741 6.981 2.235 1.00 0.00 C ATOM 1640 O ASP A 107 9.206 6.081 2.868 1.00 0.00 O ATOM 1641 CB ASP A 107 9.860 9.497 2.254 1.00 0.00 C ATOM 1642 CG ASP A 107 10.387 9.506 3.674 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.125 8.567 4.040 1.00 0.00 O ATOM 1644 OD2 ASP A 107 10.067 10.455 4.420 1.00 0.00 O ATOM 0 H ASP A 107 6.939 8.597 2.175 1.00 0.00 H new ATOM 0 HA ASP A 107 8.753 8.300 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.700 9.526 1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.275 10.401 2.084 1.00 0.00 H new ATOM 1649 N ILE A 108 10.959 6.873 1.760 1.00 0.00 N ATOM 1650 CA ILE A 108 11.718 5.656 1.971 1.00 0.00 C ATOM 1651 C ILE A 108 11.929 5.351 3.441 1.00 0.00 C ATOM 1652 O ILE A 108 11.678 4.237 3.894 1.00 0.00 O ATOM 1653 CB ILE A 108 13.055 5.703 1.196 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.804 5.348 -0.268 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.115 4.776 1.786 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.561 5.997 -0.836 1.00 0.00 C ATOM 0 H ILE A 108 11.443 7.599 1.232 1.00 0.00 H new ATOM 0 HA ILE A 108 11.126 4.832 1.573 1.00 0.00 H new ATOM 0 HB ILE A 108 13.445 6.717 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.667 5.651 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.716 4.266 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.031 4.852 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.318 5.065 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.753 3.748 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.441 5.703 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.689 5.675 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.655 7.081 -0.773 1.00 0.00 H new ATOM 1668 N ASP A 109 12.388 6.330 4.178 1.00 0.00 N ATOM 1669 CA ASP A 109 12.637 6.140 5.598 1.00 0.00 C ATOM 1670 C ASP A 109 11.420 5.564 6.323 1.00 0.00 C ATOM 1671 O ASP A 109 11.517 4.514 6.953 1.00 0.00 O ATOM 1672 CB ASP A 109 13.049 7.461 6.246 1.00 0.00 C ATOM 1673 CG ASP A 109 13.805 7.254 7.544 1.00 0.00 C ATOM 1674 OD1 ASP A 109 14.582 6.279 7.629 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.620 8.065 8.474 1.00 0.00 O ATOM 0 H ASP A 109 12.598 7.265 3.828 1.00 0.00 H new ATOM 0 HA ASP A 109 13.450 5.419 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.672 8.025 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.160 8.062 6.438 1.00 0.00 H new ATOM 1680 N GLU A 110 10.288 6.266 6.262 1.00 0.00 N ATOM 1681 CA GLU A 110 9.080 5.827 6.949 1.00 0.00 C ATOM 1682 C GLU A 110 8.314 4.744 6.189 1.00 0.00 C ATOM 1683 O GLU A 110 7.623 3.935 6.808 1.00 0.00 O ATOM 1684 CB GLU A 110 8.149 7.016 7.225 1.00 0.00 C ATOM 1685 CG GLU A 110 8.805 8.208 7.897 1.00 0.00 C ATOM 1686 CD GLU A 110 8.775 8.113 9.411 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.665 8.055 9.979 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.861 8.095 10.027 1.00 0.00 O ATOM 0 H GLU A 110 10.186 7.139 5.744 1.00 0.00 H new ATOM 0 HA GLU A 110 9.412 5.389 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.716 7.345 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.325 6.674 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.839 8.286 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.299 9.121 7.584 1.00 0.00 H new ATOM 1695 N ALA A 111 8.417 4.711 4.862 1.00 0.00 N ATOM 1696 CA ALA A 111 7.701 3.699 4.100 1.00 0.00 C ATOM 1697 C ALA A 111 8.496 2.400 4.055 1.00 0.00 C ATOM 1698 O ALA A 111 7.977 1.340 4.406 1.00 0.00 O ATOM 1699 CB ALA A 111 7.338 4.187 2.702 1.00 0.00 C ATOM 0 H ALA A 111 8.976 5.358 4.306 1.00 0.00 H new ATOM 0 HA ALA A 111 6.760 3.501 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.805 3.400 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.702 5.069 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.248 4.442 2.158 1.00 0.00 H new ATOM 1705 N VAL A 112 9.765 2.477 3.653 1.00 0.00 N ATOM 1706 CA VAL A 112 10.602 1.284 3.610 1.00 0.00 C ATOM 1707 C VAL A 112 10.666 0.641 4.987 1.00 0.00 C ATOM 1708 O VAL A 112 10.723 -0.581 5.124 1.00 0.00 O ATOM 1709 CB VAL A 112 12.028 1.584 3.123 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.818 0.292 2.982 1.00 0.00 C ATOM 1711 CG2 VAL A 112 11.984 2.335 1.805 1.00 0.00 C ATOM 0 H VAL A 112 10.227 3.337 3.358 1.00 0.00 H new ATOM 0 HA VAL A 112 10.144 0.600 2.895 1.00 0.00 H new ATOM 0 HB VAL A 112 12.528 2.213 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.827 0.518 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.870 -0.210 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.325 -0.359 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.000 2.542 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.472 1.729 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.448 3.275 1.939 1.00 0.00 H new ATOM 1721 N ALA A 113 10.626 1.480 6.009 1.00 0.00 N ATOM 1722 CA ALA A 113 10.645 1.010 7.383 1.00 0.00 C ATOM 1723 C ALA A 113 9.458 0.092 7.625 1.00 0.00 C ATOM 1724 O ALA A 113 9.594 -1.021 8.130 1.00 0.00 O ATOM 1725 CB ALA A 113 10.577 2.194 8.331 1.00 0.00 C ATOM 0 H ALA A 113 10.580 2.494 5.911 1.00 0.00 H new ATOM 0 HA ALA A 113 11.569 0.460 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.591 1.837 9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.434 2.846 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.657 2.750 8.153 1.00 0.00 H new ATOM 1731 N LEU A 114 8.292 0.602 7.264 1.00 0.00 N ATOM 1732 CA LEU A 114 7.034 -0.108 7.426 1.00 0.00 C ATOM 1733 C LEU A 114 6.858 -1.212 6.379 1.00 0.00 C ATOM 1734 O LEU A 114 6.082 -2.143 6.583 1.00 0.00 O ATOM 1735 CB LEU A 114 5.889 0.909 7.335 1.00 0.00 C ATOM 1736 CG LEU A 114 4.514 0.459 7.845 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.623 -0.265 9.175 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.594 1.665 7.992 1.00 0.00 C ATOM 0 H LEU A 114 8.191 1.527 6.847 1.00 0.00 H new ATOM 0 HA LEU A 114 7.029 -0.599 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.182 1.799 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.782 1.206 6.292 1.00 0.00 H new ATOM 0 HG LEU A 114 4.098 -0.235 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.630 -0.569 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.253 -1.147 9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.064 0.401 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.620 1.337 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.028 2.369 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.476 2.153 7.024 1.00 0.00 H new ATOM 1750 N VAL A 115 7.564 -1.108 5.255 1.00 0.00 N ATOM 1751 CA VAL A 115 7.441 -2.115 4.202 1.00 0.00 C ATOM 1752 C VAL A 115 8.247 -3.383 4.495 1.00 0.00 C ATOM 1753 O VAL A 115 7.716 -4.491 4.429 1.00 0.00 O ATOM 1754 CB VAL A 115 7.812 -1.565 2.801 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.315 -1.524 2.585 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.155 -2.405 1.720 1.00 0.00 C ATOM 0 H VAL A 115 8.216 -0.351 5.051 1.00 0.00 H new ATOM 0 HA VAL A 115 6.384 -2.382 4.192 1.00 0.00 H new ATOM 0 HB VAL A 115 7.443 -0.541 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.529 -1.132 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.773 -0.880 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.723 -2.531 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.422 -2.010 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.498 -3.436 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.072 -2.372 1.842 1.00 0.00 H new ATOM 1766 N GLU A 116 9.533 -3.218 4.798 1.00 0.00 N ATOM 1767 CA GLU A 116 10.404 -4.355 5.074 1.00 0.00 C ATOM 1768 C GLU A 116 9.889 -5.183 6.244 1.00 0.00 C ATOM 1769 O GLU A 116 9.933 -6.412 6.210 1.00 0.00 O ATOM 1770 CB GLU A 116 11.830 -3.875 5.352 1.00 0.00 C ATOM 1771 CG GLU A 116 12.568 -3.428 4.100 1.00 0.00 C ATOM 1772 CD GLU A 116 14.060 -3.273 4.326 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.731 -4.295 4.579 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.556 -2.130 4.249 1.00 0.00 O ATOM 0 H GLU A 116 9.993 -2.309 4.858 1.00 0.00 H new ATOM 0 HA GLU A 116 10.408 -4.993 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.796 -3.047 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.391 -4.679 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.398 -4.153 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.155 -2.478 3.759 1.00 0.00 H new ATOM 1781 N ARG A 117 9.392 -4.511 7.276 1.00 0.00 N ATOM 1782 CA ARG A 117 8.867 -5.206 8.440 1.00 0.00 C ATOM 1783 C ARG A 117 7.619 -6.005 8.076 1.00 0.00 C ATOM 1784 O ARG A 117 7.279 -6.983 8.743 1.00 0.00 O ATOM 1785 CB ARG A 117 8.566 -4.214 9.563 1.00 0.00 C ATOM 1786 CG ARG A 117 7.524 -3.169 9.207 1.00 0.00 C ATOM 1787 CD ARG A 117 7.044 -2.436 10.448 1.00 0.00 C ATOM 1788 NE ARG A 117 8.020 -1.450 10.913 1.00 0.00 N ATOM 1789 CZ ARG A 117 8.232 -1.161 12.196 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.525 -1.758 13.149 1.00 0.00 N ATOM 1791 NH2 ARG A 117 9.150 -0.264 12.528 1.00 0.00 N ATOM 0 H ARG A 117 9.343 -3.494 7.329 1.00 0.00 H new ATOM 0 HA ARG A 117 9.625 -5.906 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.226 -4.766 10.439 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.490 -3.709 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.946 -2.456 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.678 -3.647 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.099 -1.937 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.850 -3.157 11.242 1.00 0.00 H new ATOM 0 HE ARG A 117 8.571 -0.954 10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.812 -2.444 12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.695 -1.530 14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.692 0.203 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.314 -0.041 13.510 1.00 0.00 H new ATOM 1805 N ALA A 118 6.949 -5.589 7.005 1.00 0.00 N ATOM 1806 CA ALA A 118 5.749 -6.267 6.539 1.00 0.00 C ATOM 1807 C ALA A 118 6.097 -7.616 5.915 1.00 0.00 C ATOM 1808 O ALA A 118 5.495 -8.637 6.246 1.00 0.00 O ATOM 1809 CB ALA A 118 5.002 -5.395 5.540 1.00 0.00 C ATOM 0 H ALA A 118 7.220 -4.782 6.443 1.00 0.00 H new ATOM 0 HA ALA A 118 5.101 -6.446 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.107 -5.916 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.717 -4.457 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.646 -5.187 4.686 1.00 0.00 H new ATOM 1815 N ILE A 119 7.072 -7.610 5.012 1.00 0.00 N ATOM 1816 CA ILE A 119 7.503 -8.830 4.344 1.00 0.00 C ATOM 1817 C ILE A 119 8.253 -9.741 5.305 1.00 0.00 C ATOM 1818 O ILE A 119 8.202 -10.965 5.190 1.00 0.00 O ATOM 1819 CB ILE A 119 8.408 -8.517 3.137 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.778 -7.439 2.258 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.677 -9.772 2.323 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.789 -6.464 1.700 1.00 0.00 C ATOM 0 H ILE A 119 7.578 -6.772 4.727 1.00 0.00 H new ATOM 0 HA ILE A 119 6.604 -9.337 3.992 1.00 0.00 H new ATOM 0 HB ILE A 119 9.359 -8.144 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.248 -7.915 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.037 -6.891 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.318 -9.526 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.173 -10.513 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.734 -10.178 1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.279 -5.723 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.302 -5.963 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.516 -7.002 1.092 1.00 0.00 H new ATOM 1834 N SER A 120 8.947 -9.131 6.254 1.00 0.00 N ATOM 1835 CA SER A 120 9.712 -9.874 7.246 1.00 0.00 C ATOM 1836 C SER A 120 8.785 -10.676 8.152 1.00 0.00 C ATOM 1837 O SER A 120 9.125 -11.776 8.591 1.00 0.00 O ATOM 1838 CB SER A 120 10.565 -8.922 8.087 1.00 0.00 C ATOM 1839 OG SER A 120 11.285 -9.627 9.085 1.00 0.00 O ATOM 0 H SER A 120 8.997 -8.118 6.359 1.00 0.00 H new ATOM 0 HA SER A 120 10.369 -10.565 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.262 -8.387 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.926 -8.174 8.556 1.00 0.00 H new ATOM 0 HG SER A 120 11.823 -8.996 9.607 1.00 0.00 H new ATOM 1845 N HIS A 121 7.613 -10.116 8.430 1.00 0.00 N ATOM 1846 CA HIS A 121 6.634 -10.777 9.285 1.00 0.00 C ATOM 1847 C HIS A 121 5.888 -11.866 8.524 1.00 0.00 C ATOM 1848 O HIS A 121 5.360 -12.805 9.120 1.00 0.00 O ATOM 1849 CB HIS A 121 5.645 -9.755 9.847 1.00 0.00 C ATOM 1850 CG HIS A 121 6.167 -9.005 11.034 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.489 -9.039 11.425 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.535 -8.197 11.920 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.648 -8.286 12.500 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.479 -7.764 12.818 1.00 0.00 N ATOM 0 H HIS A 121 7.318 -9.206 8.076 1.00 0.00 H new ATOM 0 HA HIS A 121 7.169 -11.245 10.111 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.386 -9.043 9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.725 -10.268 10.128 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.486 -7.942 11.920 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.577 -8.126 13.028 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.304 -7.139 13.605 1.00 0.00 H new