USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 918 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 92 SER OG : rot 87:sc= 0.0253 USER MOD Set 1.2: A 96 GLN : amide:sc= -2.52! C(o=-2.5!,f=-4.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.464! 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 -155:sc= -0.382 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 123:sc= -0.156 USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.043) USER MOD Single : A 45 SER OG : rot -17:sc= 0.753 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 -140:sc= -0.0335 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00271 K(o=-0.0027,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.84) USER MOD Single : A 73 HIS : no HD1:sc= -20.7! C(o=-21!,f=-24!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 176:sc= -1.71 (180deg=-1.77) USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.45 F(o=-4!,f=-1.5) USER MOD Single : A 85 SER OG : rot -69:sc= -0.839 USER MOD Single : A 94 TYR OH : rot 55:sc= 0.144! USER MOD Single : A 95 GLN : amide:sc= 0.0511 X(o=0.051,f=-0.1) USER MOD Single : A 101 TYR OH : rot -150:sc= -1.23 USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -0.157 (180deg=-0.823) USER MOD Single : A 120 SER OG : rot 85:sc= 0.0742 USER MOD Single : A 121 HIS : no HE2:sc= 0.546 K(o=0.55,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.360 -13.314 1.099 1.00 0.00 N ATOM 38 CA ARG A 3 11.913 -12.438 0.076 1.00 0.00 C ATOM 39 C ARG A 3 11.667 -10.975 0.421 1.00 0.00 C ATOM 40 O ARG A 3 12.426 -10.093 0.018 1.00 0.00 O ATOM 41 CB ARG A 3 11.303 -12.758 -1.291 1.00 0.00 C ATOM 42 CG ARG A 3 11.837 -11.887 -2.417 1.00 0.00 C ATOM 43 CD ARG A 3 12.881 -12.622 -3.245 1.00 0.00 C ATOM 44 NE ARG A 3 13.973 -11.741 -3.657 1.00 0.00 N ATOM 45 CZ ARG A 3 14.821 -12.023 -4.644 1.00 0.00 C ATOM 46 NH1 ARG A 3 14.707 -13.157 -5.323 1.00 0.00 N ATOM 47 NH2 ARG A 3 15.785 -11.166 -4.953 1.00 0.00 N ATOM 0 HA ARG A 3 12.989 -12.609 0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.496 -13.804 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.221 -12.639 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.013 -11.577 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.275 -10.980 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.284 -13.453 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.407 -13.050 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 3 14.092 -10.859 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.967 -13.819 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.360 -13.367 -6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.876 -10.292 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.435 -11.381 -5.709 1.00 0.00 H new ATOM 61 N GLY A 4 10.597 -10.726 1.162 1.00 0.00 N ATOM 62 CA GLY A 4 10.257 -9.369 1.544 1.00 0.00 C ATOM 63 C GLY A 4 10.097 -8.462 0.340 1.00 0.00 C ATOM 64 O GLY A 4 11.043 -7.797 -0.078 1.00 0.00 O ATOM 0 H GLY A 4 9.956 -11.441 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.331 -9.376 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.034 -8.971 2.197 1.00 0.00 H new ATOM 68 N ILE A 5 8.899 -8.449 -0.231 1.00 0.00 N ATOM 69 CA ILE A 5 8.621 -7.632 -1.403 1.00 0.00 C ATOM 70 C ILE A 5 7.564 -6.573 -1.110 1.00 0.00 C ATOM 71 O ILE A 5 6.418 -6.897 -0.800 1.00 0.00 O ATOM 72 CB ILE A 5 8.142 -8.495 -2.585 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.082 -9.685 -2.788 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.051 -7.659 -3.851 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.573 -10.968 -2.169 1.00 0.00 C ATOM 0 H ILE A 5 8.104 -8.996 0.100 1.00 0.00 H new ATOM 0 HA ILE A 5 9.557 -7.140 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 5 7.147 -8.877 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.232 -9.841 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.056 -9.446 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.711 -8.284 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.344 -6.844 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.033 -7.249 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.289 -11.769 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.449 -10.830 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.613 -11.231 -2.614 1.00 0.00 H new ATOM 87 N VAL A 6 7.951 -5.306 -1.226 1.00 0.00 N ATOM 88 CA VAL A 6 7.027 -4.207 -0.984 1.00 0.00 C ATOM 89 C VAL A 6 6.592 -3.572 -2.294 1.00 0.00 C ATOM 90 O VAL A 6 7.424 -3.208 -3.124 1.00 0.00 O ATOM 91 CB VAL A 6 7.648 -3.103 -0.108 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.627 -2.267 -0.922 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.558 -2.220 0.480 1.00 0.00 C ATOM 0 H VAL A 6 8.894 -5.017 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 6 6.173 -4.639 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 6 8.193 -3.574 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.057 -1.491 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.423 -2.907 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.103 -1.804 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.012 -1.444 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.990 -1.756 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.890 -2.826 1.092 1.00 0.00 H new ATOM 103 N TRP A 7 5.291 -3.426 -2.467 1.00 0.00 N ATOM 104 CA TRP A 7 4.754 -2.818 -3.670 1.00 0.00 C ATOM 105 C TRP A 7 4.029 -1.530 -3.316 1.00 0.00 C ATOM 106 O TRP A 7 3.228 -1.489 -2.384 1.00 0.00 O ATOM 107 CB TRP A 7 3.841 -3.805 -4.395 1.00 0.00 C ATOM 108 CG TRP A 7 4.616 -4.794 -5.217 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.966 -5.004 -5.173 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.104 -5.702 -6.197 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.325 -5.972 -6.071 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.201 -6.422 -6.708 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.828 -5.978 -6.695 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.061 -7.397 -7.688 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.691 -6.950 -7.669 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.803 -7.649 -8.157 1.00 0.00 C ATOM 0 H TRP A 7 4.587 -3.720 -1.790 1.00 0.00 H new ATOM 0 HA TRP A 7 5.569 -2.566 -4.349 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.233 -4.339 -3.665 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.155 -3.256 -5.041 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.651 -4.481 -4.523 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.275 -6.304 -6.238 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.966 -5.443 -6.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.917 -7.937 -8.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.710 -7.174 -8.060 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.663 -8.402 -8.919 1.00 0.00 H new ATOM 127 N VAL A 8 4.353 -0.468 -4.038 1.00 0.00 N ATOM 128 CA VAL A 8 3.767 0.837 -3.774 1.00 0.00 C ATOM 129 C VAL A 8 2.897 1.301 -4.930 1.00 0.00 C ATOM 130 O VAL A 8 3.279 1.196 -6.089 1.00 0.00 O ATOM 131 CB VAL A 8 4.856 1.900 -3.523 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.314 3.011 -2.637 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.111 1.273 -2.913 1.00 0.00 C ATOM 0 H VAL A 8 5.018 -0.484 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 8 3.152 0.725 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 8 5.140 2.332 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.093 3.754 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.462 3.483 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.998 2.593 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.861 2.047 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.858 0.804 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.510 0.521 -3.594 1.00 0.00 H new ATOM 143 N VAL A 9 1.729 1.831 -4.609 1.00 0.00 N ATOM 144 CA VAL A 9 0.816 2.322 -5.629 1.00 0.00 C ATOM 145 C VAL A 9 0.529 3.804 -5.403 1.00 0.00 C ATOM 146 O VAL A 9 -0.170 4.176 -4.460 1.00 0.00 O ATOM 147 CB VAL A 9 -0.500 1.509 -5.663 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.704 0.917 -7.048 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.492 0.403 -4.612 1.00 0.00 C ATOM 0 H VAL A 9 1.390 1.933 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 9 1.297 2.196 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.326 2.183 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.632 0.346 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.758 1.720 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.131 0.260 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.429 -0.151 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.340 -0.275 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.381 0.843 -3.621 1.00 0.00 H new ATOM 159 N ASP A 10 1.112 4.648 -6.257 1.00 0.00 N ATOM 160 CA ASP A 10 0.962 6.095 -6.132 1.00 0.00 C ATOM 161 C ASP A 10 1.312 6.803 -7.442 1.00 0.00 C ATOM 162 O ASP A 10 1.309 6.191 -8.505 1.00 0.00 O ATOM 163 CB ASP A 10 1.877 6.595 -5.009 1.00 0.00 C ATOM 164 CG ASP A 10 3.304 6.109 -5.179 1.00 0.00 C ATOM 165 OD1 ASP A 10 3.877 6.325 -6.268 1.00 0.00 O ATOM 166 OD2 ASP A 10 3.844 5.507 -4.228 1.00 0.00 O ATOM 0 H ASP A 10 1.692 4.352 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.078 6.321 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.865 7.685 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.490 6.255 -4.048 1.00 0.00 H new ATOM 171 N ASP A 11 1.597 8.101 -7.363 1.00 0.00 N ATOM 172 CA ASP A 11 1.918 8.890 -8.552 1.00 0.00 C ATOM 173 C ASP A 11 3.233 8.460 -9.202 1.00 0.00 C ATOM 174 O ASP A 11 3.607 8.984 -10.250 1.00 0.00 O ATOM 175 CB ASP A 11 1.999 10.378 -8.197 1.00 0.00 C ATOM 176 CG ASP A 11 0.648 10.984 -7.881 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.158 10.787 -6.749 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.080 11.660 -8.765 1.00 0.00 O ATOM 0 H ASP A 11 1.612 8.629 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 11 1.115 8.716 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.658 10.506 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.449 10.920 -9.028 1.00 0.00 H new ATOM 183 N ASP A 12 3.926 7.500 -8.599 1.00 0.00 N ATOM 184 CA ASP A 12 5.186 7.013 -9.155 1.00 0.00 C ATOM 185 C ASP A 12 6.278 8.092 -9.084 1.00 0.00 C ATOM 186 O ASP A 12 6.258 8.942 -8.194 1.00 0.00 O ATOM 187 CB ASP A 12 4.964 6.556 -10.603 1.00 0.00 C ATOM 188 CG ASP A 12 5.602 5.213 -10.895 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.761 5.004 -10.481 1.00 0.00 O ATOM 190 OD2 ASP A 12 4.939 4.369 -11.531 1.00 0.00 O ATOM 0 H ASP A 12 3.640 7.046 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 12 5.527 6.165 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.894 6.496 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.373 7.304 -11.283 1.00 0.00 H new ATOM 195 N SER A 13 7.217 8.057 -10.038 1.00 0.00 N ATOM 196 CA SER A 13 8.308 9.019 -10.119 1.00 0.00 C ATOM 197 C SER A 13 8.812 9.480 -8.748 1.00 0.00 C ATOM 198 O SER A 13 9.627 8.803 -8.120 1.00 0.00 O ATOM 199 CB SER A 13 7.856 10.193 -10.976 1.00 0.00 C ATOM 200 OG SER A 13 6.904 10.997 -10.301 1.00 0.00 O ATOM 0 H SER A 13 7.236 7.354 -10.777 1.00 0.00 H new ATOM 0 HA SER A 13 9.164 8.527 -10.582 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.720 10.801 -11.246 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.425 9.821 -11.905 1.00 0.00 H new ATOM 0 HG SER A 13 6.637 11.742 -10.879 1.00 0.00 H new ATOM 206 N SER A 14 8.338 10.634 -8.296 1.00 0.00 N ATOM 207 CA SER A 14 8.758 11.187 -7.014 1.00 0.00 C ATOM 208 C SER A 14 8.580 10.179 -5.882 1.00 0.00 C ATOM 209 O SER A 14 9.541 9.842 -5.191 1.00 0.00 O ATOM 210 CB SER A 14 7.963 12.456 -6.707 1.00 0.00 C ATOM 211 OG SER A 14 8.513 13.150 -5.603 1.00 0.00 O ATOM 0 H SER A 14 7.661 11.207 -8.799 1.00 0.00 H new ATOM 0 HA SER A 14 9.819 11.427 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.958 13.106 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.926 12.196 -6.496 1.00 0.00 H new ATOM 0 HG SER A 14 7.987 13.958 -5.429 1.00 0.00 H new ATOM 217 N ILE A 15 7.359 9.695 -5.695 1.00 0.00 N ATOM 218 CA ILE A 15 7.087 8.729 -4.637 1.00 0.00 C ATOM 219 C ILE A 15 7.886 7.443 -4.833 1.00 0.00 C ATOM 220 O ILE A 15 8.164 6.722 -3.875 1.00 0.00 O ATOM 221 CB ILE A 15 5.589 8.379 -4.543 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.736 9.650 -4.586 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.315 7.596 -3.268 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.937 10.552 -3.388 1.00 0.00 C ATOM 0 H ILE A 15 6.547 9.952 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 15 7.394 9.207 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 15 5.321 7.759 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.972 10.206 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.684 9.370 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.254 7.354 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.898 6.675 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.597 8.198 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.302 11.433 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.673 10.013 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.981 10.861 -3.337 1.00 0.00 H new ATOM 236 N ARG A 16 8.254 7.165 -6.078 1.00 0.00 N ATOM 237 CA ARG A 16 9.024 5.964 -6.395 1.00 0.00 C ATOM 238 C ARG A 16 10.457 6.077 -5.878 1.00 0.00 C ATOM 239 O ARG A 16 10.934 5.205 -5.151 1.00 0.00 O ATOM 240 CB ARG A 16 9.037 5.719 -7.908 1.00 0.00 C ATOM 241 CG ARG A 16 9.874 4.520 -8.329 1.00 0.00 C ATOM 242 CD ARG A 16 10.495 4.718 -9.703 1.00 0.00 C ATOM 243 NE ARG A 16 9.786 3.968 -10.737 1.00 0.00 N ATOM 244 CZ ARG A 16 9.938 4.180 -12.041 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.775 5.111 -12.480 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.252 3.454 -12.913 1.00 0.00 N ATOM 0 H ARG A 16 8.034 7.751 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 16 8.543 5.120 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.013 5.574 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.418 6.610 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.662 4.351 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.250 3.626 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.488 5.778 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.538 4.404 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 16 9.136 3.239 -10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.309 5.671 -11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.885 5.266 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.609 2.734 -12.583 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.367 3.615 -13.914 1.00 0.00 H new ATOM 260 N TRP A 17 11.143 7.145 -6.269 1.00 0.00 N ATOM 261 CA TRP A 17 12.526 7.360 -5.863 1.00 0.00 C ATOM 262 C TRP A 17 12.672 7.470 -4.348 1.00 0.00 C ATOM 263 O TRP A 17 13.603 6.914 -3.762 1.00 0.00 O ATOM 264 CB TRP A 17 13.083 8.623 -6.518 1.00 0.00 C ATOM 265 CG TRP A 17 14.544 8.821 -6.253 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.584 8.363 -7.007 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.126 9.527 -5.153 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.779 8.739 -6.440 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.523 9.454 -5.301 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.598 10.215 -4.057 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.400 10.042 -4.394 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.469 10.798 -3.155 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.857 10.709 -3.328 1.00 0.00 C ATOM 0 H TRP A 17 10.762 7.877 -6.868 1.00 0.00 H new ATOM 0 HA TRP A 17 13.092 6.489 -6.194 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.918 8.571 -7.594 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.532 9.489 -6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.484 7.789 -7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.705 8.521 -6.808 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.530 10.290 -3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.470 9.975 -4.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.073 11.331 -2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.511 11.176 -2.607 1.00 0.00 H new ATOM 284 N VAL A 18 11.769 8.210 -3.718 1.00 0.00 N ATOM 285 CA VAL A 18 11.824 8.411 -2.276 1.00 0.00 C ATOM 286 C VAL A 18 11.613 7.116 -1.504 1.00 0.00 C ATOM 287 O VAL A 18 12.329 6.828 -0.545 1.00 0.00 O ATOM 288 CB VAL A 18 10.781 9.445 -1.799 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.105 9.904 -0.385 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.714 10.636 -2.748 1.00 0.00 C ATOM 0 H VAL A 18 10.991 8.680 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 18 12.827 8.787 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 18 9.802 8.966 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.363 10.633 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.091 9.047 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.094 10.362 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.971 11.348 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.689 11.121 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.433 10.293 -3.744 1.00 0.00 H new ATOM 300 N LEU A 19 10.610 6.359 -1.906 1.00 0.00 N ATOM 301 CA LEU A 19 10.278 5.115 -1.228 1.00 0.00 C ATOM 302 C LEU A 19 11.110 3.930 -1.703 1.00 0.00 C ATOM 303 O LEU A 19 11.253 2.946 -0.977 1.00 0.00 O ATOM 304 CB LEU A 19 8.789 4.801 -1.395 1.00 0.00 C ATOM 305 CG LEU A 19 8.186 3.907 -0.307 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.461 4.478 1.076 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.691 3.743 -0.526 1.00 0.00 C ATOM 0 H LEU A 19 10.009 6.582 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 19 10.514 5.267 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.236 5.740 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.642 4.320 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 19 8.658 2.926 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.023 3.826 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.537 4.546 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.020 5.472 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.277 3.105 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.209 4.720 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.514 3.286 -1.500 1.00 0.00 H new ATOM 319 N GLU A 20 11.651 4.002 -2.909 1.00 0.00 N ATOM 320 CA GLU A 20 12.444 2.893 -3.424 1.00 0.00 C ATOM 321 C GLU A 20 13.742 2.729 -2.641 1.00 0.00 C ATOM 322 O GLU A 20 14.006 1.672 -2.068 1.00 0.00 O ATOM 323 CB GLU A 20 12.741 3.051 -4.921 1.00 0.00 C ATOM 324 CG GLU A 20 13.702 4.171 -5.286 1.00 0.00 C ATOM 325 CD GLU A 20 13.881 4.303 -6.787 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.862 4.277 -7.510 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.038 4.429 -7.239 1.00 0.00 O ATOM 0 H GLU A 20 11.560 4.798 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 20 11.847 1.991 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.149 2.111 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.800 3.220 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.331 5.113 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.670 3.984 -4.821 1.00 0.00 H new ATOM 334 N ARG A 21 14.549 3.774 -2.629 1.00 0.00 N ATOM 335 CA ARG A 21 15.830 3.752 -1.930 1.00 0.00 C ATOM 336 C ARG A 21 15.654 3.481 -0.438 1.00 0.00 C ATOM 337 O ARG A 21 16.321 2.611 0.125 1.00 0.00 O ATOM 338 CB ARG A 21 16.568 5.074 -2.137 1.00 0.00 C ATOM 339 CG ARG A 21 17.070 5.268 -3.560 1.00 0.00 C ATOM 340 CD ARG A 21 18.556 4.967 -3.677 1.00 0.00 C ATOM 341 NE ARG A 21 19.374 6.134 -3.355 1.00 0.00 N ATOM 342 CZ ARG A 21 20.398 6.562 -4.096 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.752 5.917 -5.201 1.00 0.00 N ATOM 344 NH2 ARG A 21 21.074 7.641 -3.725 1.00 0.00 N ATOM 0 H ARG A 21 14.342 4.656 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 21 16.421 2.938 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.902 5.898 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.414 5.121 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.513 4.618 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.880 6.294 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.814 4.146 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.781 4.634 -4.690 1.00 0.00 H new ATOM 0 HE ARG A 21 19.148 6.656 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.239 5.085 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.537 6.254 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.811 8.141 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.857 7.971 -4.289 1.00 0.00 H new ATOM 358 N ALA A 22 14.767 4.233 0.204 1.00 0.00 N ATOM 359 CA ALA A 22 14.522 4.076 1.635 1.00 0.00 C ATOM 360 C ALA A 22 14.172 2.642 1.991 1.00 0.00 C ATOM 361 O ALA A 22 14.732 2.068 2.926 1.00 0.00 O ATOM 362 CB ALA A 22 13.424 5.023 2.094 1.00 0.00 C ATOM 0 H ALA A 22 14.205 4.958 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 22 15.445 4.328 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.254 4.893 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.725 6.052 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.504 4.804 1.551 1.00 0.00 H new ATOM 368 N LEU A 23 13.250 2.068 1.246 1.00 0.00 N ATOM 369 CA LEU A 23 12.830 0.696 1.489 1.00 0.00 C ATOM 370 C LEU A 23 13.941 -0.278 1.111 1.00 0.00 C ATOM 371 O LEU A 23 14.092 -1.349 1.713 1.00 0.00 O ATOM 372 CB LEU A 23 11.551 0.379 0.720 1.00 0.00 C ATOM 373 CG LEU A 23 10.812 -0.873 1.185 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.444 -2.116 0.578 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.790 -0.969 2.706 1.00 0.00 C ATOM 0 H LEU A 23 12.776 2.526 0.468 1.00 0.00 H new ATOM 0 HA LEU A 23 12.623 0.584 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.876 1.231 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.798 0.266 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 23 9.780 -0.803 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.906 -3.001 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.393 -2.056 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.487 -2.183 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.257 -1.871 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.812 -1.009 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.286 -0.095 3.118 1.00 0.00 H new ATOM 387 N ALA A 24 14.739 0.113 0.131 1.00 0.00 N ATOM 388 CA ALA A 24 15.854 -0.709 -0.294 1.00 0.00 C ATOM 389 C ALA A 24 16.879 -0.764 0.826 1.00 0.00 C ATOM 390 O ALA A 24 17.549 -1.778 1.023 1.00 0.00 O ATOM 391 CB ALA A 24 16.470 -0.171 -1.577 1.00 0.00 C ATOM 0 H ALA A 24 14.635 0.989 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 24 15.500 -1.718 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.305 -0.806 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.719 -0.166 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.828 0.845 -1.410 1.00 0.00 H new ATOM 397 N GLY A 25 16.965 0.328 1.589 1.00 0.00 N ATOM 398 CA GLY A 25 17.878 0.367 2.710 1.00 0.00 C ATOM 399 C GLY A 25 17.513 -0.683 3.737 1.00 0.00 C ATOM 400 O GLY A 25 18.374 -1.193 4.454 1.00 0.00 O ATOM 0 H GLY A 25 16.420 1.178 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.897 0.202 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.855 1.355 3.169 1.00 0.00 H new ATOM 404 N ALA A 26 16.225 -1.019 3.790 1.00 0.00 N ATOM 405 CA ALA A 26 15.734 -2.025 4.714 1.00 0.00 C ATOM 406 C ALA A 26 16.062 -3.430 4.208 1.00 0.00 C ATOM 407 O ALA A 26 16.021 -4.400 4.967 1.00 0.00 O ATOM 408 CB ALA A 26 14.234 -1.867 4.917 1.00 0.00 C ATOM 0 H ALA A 26 15.505 -0.604 3.199 1.00 0.00 H new ATOM 0 HA ALA A 26 16.232 -1.885 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.879 -2.628 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.024 -0.878 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.723 -1.982 3.961 1.00 0.00 H new ATOM 414 N GLY A 27 16.417 -3.528 2.927 1.00 0.00 N ATOM 415 CA GLY A 27 16.779 -4.811 2.354 1.00 0.00 C ATOM 416 C GLY A 27 15.639 -5.530 1.659 1.00 0.00 C ATOM 417 O GLY A 27 15.657 -6.759 1.571 1.00 0.00 O ATOM 0 H GLY A 27 16.460 -2.742 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.588 -4.661 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.168 -5.452 3.145 1.00 0.00 H new ATOM 421 N LEU A 28 14.642 -4.798 1.158 1.00 0.00 N ATOM 422 CA LEU A 28 13.528 -5.451 0.480 1.00 0.00 C ATOM 423 C LEU A 28 13.290 -4.890 -0.919 1.00 0.00 C ATOM 424 O LEU A 28 13.817 -3.840 -1.282 1.00 0.00 O ATOM 425 CB LEU A 28 12.249 -5.367 1.314 1.00 0.00 C ATOM 426 CG LEU A 28 12.460 -5.180 2.818 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.485 -3.708 3.179 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.379 -5.912 3.598 1.00 0.00 C ATOM 0 H LEU A 28 14.584 -3.781 1.207 1.00 0.00 H new ATOM 0 HA LEU A 28 13.803 -6.500 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.646 -4.538 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.671 -6.277 1.155 1.00 0.00 H new ATOM 0 HG LEU A 28 13.426 -5.607 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.636 -3.599 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.299 -3.217 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.538 -3.248 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.542 -5.770 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.401 -5.516 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.418 -6.976 3.363 1.00 0.00 H new ATOM 440 N THR A 29 12.488 -5.614 -1.703 1.00 0.00 N ATOM 441 CA THR A 29 12.167 -5.212 -3.073 1.00 0.00 C ATOM 442 C THR A 29 11.057 -4.167 -3.079 1.00 0.00 C ATOM 443 O THR A 29 10.007 -4.364 -2.475 1.00 0.00 O ATOM 444 CB THR A 29 11.747 -6.428 -3.905 1.00 0.00 C ATOM 445 OG1 THR A 29 12.804 -7.369 -3.995 1.00 0.00 O ATOM 446 CG2 THR A 29 11.332 -6.074 -5.318 1.00 0.00 C ATOM 0 H THR A 29 12.047 -6.486 -1.410 1.00 0.00 H new ATOM 0 HA THR A 29 13.061 -4.775 -3.517 1.00 0.00 H new ATOM 0 HB THR A 29 10.887 -6.847 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.513 -8.138 -4.529 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.047 -6.981 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.484 -5.389 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.166 -5.597 -5.833 1.00 0.00 H new ATOM 454 N CYS A 30 11.312 -3.053 -3.757 1.00 0.00 N ATOM 455 CA CYS A 30 10.355 -1.952 -3.835 1.00 0.00 C ATOM 456 C CYS A 30 10.010 -1.599 -5.276 1.00 0.00 C ATOM 457 O CYS A 30 10.865 -1.151 -6.040 1.00 0.00 O ATOM 458 CB CYS A 30 10.944 -0.730 -3.135 1.00 0.00 C ATOM 459 SG CYS A 30 12.690 -0.441 -3.515 1.00 0.00 S ATOM 0 H CYS A 30 12.181 -2.887 -4.265 1.00 0.00 H new ATOM 0 HA CYS A 30 9.434 -2.267 -3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.369 0.152 -3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.831 -0.851 -2.058 1.00 0.00 H new ATOM 0 HG CYS A 30 13.240 0.230 -2.547 1.00 0.00 H new ATOM 465 N THR A 31 8.741 -1.776 -5.632 1.00 0.00 N ATOM 466 CA THR A 31 8.272 -1.444 -6.971 1.00 0.00 C ATOM 467 C THR A 31 7.028 -0.559 -6.852 1.00 0.00 C ATOM 468 O THR A 31 6.135 -0.842 -6.053 1.00 0.00 O ATOM 469 CB THR A 31 7.966 -2.712 -7.784 1.00 0.00 C ATOM 470 OG1 THR A 31 8.003 -2.429 -9.176 1.00 0.00 O ATOM 471 CG2 THR A 31 6.610 -3.310 -7.488 1.00 0.00 C ATOM 0 H THR A 31 8.021 -2.147 -5.012 1.00 0.00 H new ATOM 0 HA THR A 31 9.056 -0.904 -7.503 1.00 0.00 H new ATOM 0 HB THR A 31 8.733 -3.429 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.808 -3.246 -9.681 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.464 -4.201 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.553 -3.579 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.833 -2.581 -7.719 1.00 0.00 H new ATOM 479 N THR A 32 6.991 0.523 -7.620 1.00 0.00 N ATOM 480 CA THR A 32 5.874 1.460 -7.569 1.00 0.00 C ATOM 481 C THR A 32 4.967 1.338 -8.787 1.00 0.00 C ATOM 482 O THR A 32 5.334 0.740 -9.798 1.00 0.00 O ATOM 483 CB THR A 32 6.401 2.884 -7.432 1.00 0.00 C ATOM 484 OG1 THR A 32 7.094 3.276 -8.603 1.00 0.00 O ATOM 485 CG2 THR A 32 7.341 3.048 -6.257 1.00 0.00 C ATOM 0 H THR A 32 7.722 0.774 -8.286 1.00 0.00 H new ATOM 0 HA THR A 32 5.269 1.212 -6.697 1.00 0.00 H new ATOM 0 HB THR A 32 5.525 3.513 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.684 4.087 -8.970 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.685 4.081 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.818 2.796 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.198 2.386 -6.381 1.00 0.00 H new ATOM 493 N PHE A 33 3.758 1.881 -8.659 1.00 0.00 N ATOM 494 CA PHE A 33 2.760 1.810 -9.720 1.00 0.00 C ATOM 495 C PHE A 33 2.131 3.180 -10.002 1.00 0.00 C ATOM 496 O PHE A 33 2.391 4.152 -9.294 1.00 0.00 O ATOM 497 CB PHE A 33 1.683 0.795 -9.338 1.00 0.00 C ATOM 498 CG PHE A 33 2.215 -0.598 -9.099 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.172 -0.835 -8.125 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.771 -1.667 -9.856 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.670 -2.104 -7.914 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.264 -2.936 -9.651 1.00 0.00 C ATOM 503 CZ PHE A 33 3.214 -3.160 -8.683 1.00 0.00 C ATOM 0 H PHE A 33 3.446 2.378 -7.825 1.00 0.00 H new ATOM 0 HA PHE A 33 3.257 1.489 -10.636 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.176 1.140 -8.437 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.935 0.757 -10.130 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.533 -0.015 -7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.026 -1.504 -10.620 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.414 -2.273 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.903 -3.758 -10.252 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.602 -4.155 -8.524 1.00 0.00 H new ATOM 513 N GLU A 34 1.325 3.244 -11.065 1.00 0.00 N ATOM 514 CA GLU A 34 0.667 4.485 -11.485 1.00 0.00 C ATOM 515 C GLU A 34 -0.320 5.019 -10.446 1.00 0.00 C ATOM 516 O GLU A 34 -0.377 6.225 -10.206 1.00 0.00 O ATOM 517 CB GLU A 34 -0.071 4.254 -12.802 1.00 0.00 C ATOM 518 CG GLU A 34 -1.092 3.127 -12.735 1.00 0.00 C ATOM 519 CD GLU A 34 -2.463 3.591 -12.289 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.834 4.742 -12.601 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.166 2.797 -11.625 1.00 0.00 O ATOM 0 H GLU A 34 1.111 2.441 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 34 1.451 5.233 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.576 5.175 -13.093 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.656 4.029 -13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.175 2.661 -13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.733 2.361 -12.048 1.00 0.00 H new ATOM 528 N ASN A 35 -1.112 4.135 -9.850 1.00 0.00 N ATOM 529 CA ASN A 35 -2.098 4.558 -8.863 1.00 0.00 C ATOM 530 C ASN A 35 -2.649 3.380 -8.079 1.00 0.00 C ATOM 531 O ASN A 35 -2.539 3.321 -6.855 1.00 0.00 O ATOM 532 CB ASN A 35 -3.246 5.303 -9.554 1.00 0.00 C ATOM 533 CG ASN A 35 -3.864 6.369 -8.670 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.318 5.970 -7.487 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -3.937 7.539 -9.049 1.00 0.00 N flip ATOM 0 H ASN A 35 -1.092 3.131 -10.030 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.598 5.224 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.876 5.765 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.015 4.588 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.575 7.802 -9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.359 8.245 -8.446 1.00 0.00 H new ATOM 542 N GLY A 36 -3.251 2.455 -8.796 1.00 0.00 N ATOM 543 CA GLY A 36 -3.829 1.287 -8.167 1.00 0.00 C ATOM 544 C GLY A 36 -4.098 0.172 -9.153 1.00 0.00 C ATOM 545 O GLY A 36 -3.658 -0.960 -8.956 1.00 0.00 O ATOM 0 H GLY A 36 -3.353 2.489 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.155 0.926 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.761 1.566 -7.676 1.00 0.00 H new ATOM 549 N ASN A 37 -4.824 0.495 -10.219 1.00 0.00 N ATOM 550 CA ASN A 37 -5.160 -0.487 -11.246 1.00 0.00 C ATOM 551 C ASN A 37 -3.927 -1.254 -11.702 1.00 0.00 C ATOM 552 O ASN A 37 -4.018 -2.408 -12.126 1.00 0.00 O ATOM 553 CB ASN A 37 -5.831 0.196 -12.436 1.00 0.00 C ATOM 554 CG ASN A 37 -7.338 0.012 -12.430 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.944 -0.284 -13.460 1.00 0.00 O ATOM 556 ND2 ASN A 37 -7.951 0.186 -11.262 1.00 0.00 N ATOM 0 H ASN A 37 -5.192 1.430 -10.395 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.858 -1.202 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.597 1.260 -12.421 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.421 -0.207 -13.362 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.963 0.074 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.409 0.431 -10.433 1.00 0.00 H new ATOM 563 N GLU A 38 -2.776 -0.608 -11.609 1.00 0.00 N ATOM 564 CA GLU A 38 -1.526 -1.227 -12.009 1.00 0.00 C ATOM 565 C GLU A 38 -1.224 -2.464 -11.162 1.00 0.00 C ATOM 566 O GLU A 38 -1.059 -3.558 -11.699 1.00 0.00 O ATOM 567 CB GLU A 38 -0.394 -0.215 -11.906 1.00 0.00 C ATOM 568 CG GLU A 38 0.806 -0.540 -12.779 1.00 0.00 C ATOM 569 CD GLU A 38 0.736 0.139 -14.135 1.00 0.00 C ATOM 570 OE1 GLU A 38 0.971 1.363 -14.196 1.00 0.00 O ATOM 571 OE2 GLU A 38 0.449 -0.555 -15.132 1.00 0.00 O ATOM 0 H GLU A 38 -2.683 0.346 -11.259 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.618 -1.553 -13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.774 0.769 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.069 -0.153 -10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.718 -0.231 -12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.869 -1.619 -12.919 1.00 0.00 H new ATOM 578 N VAL A 39 -1.165 -2.303 -9.837 1.00 0.00 N ATOM 579 CA VAL A 39 -0.894 -3.442 -8.963 1.00 0.00 C ATOM 580 C VAL A 39 -1.972 -4.506 -9.122 1.00 0.00 C ATOM 581 O VAL A 39 -1.701 -5.700 -9.002 1.00 0.00 O ATOM 582 CB VAL A 39 -0.799 -3.029 -7.482 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.387 -4.211 -6.620 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.185 -1.888 -7.321 1.00 0.00 C ATOM 0 H VAL A 39 -1.298 -1.414 -9.356 1.00 0.00 H new ATOM 0 HA VAL A 39 0.072 -3.847 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.782 -2.694 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.326 -3.898 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.125 -5.007 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.586 -4.578 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.244 -1.604 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.169 -2.204 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.149 -1.033 -7.909 1.00 0.00 H new ATOM 594 N LEU A 40 -3.191 -4.067 -9.411 1.00 0.00 N ATOM 595 CA LEU A 40 -4.307 -4.984 -9.606 1.00 0.00 C ATOM 596 C LEU A 40 -3.967 -6.010 -10.681 1.00 0.00 C ATOM 597 O LEU A 40 -4.234 -7.200 -10.526 1.00 0.00 O ATOM 598 CB LEU A 40 -5.561 -4.217 -10.013 1.00 0.00 C ATOM 599 CG LEU A 40 -5.961 -3.079 -9.079 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.277 -2.482 -9.523 1.00 0.00 C ATOM 601 CD2 LEU A 40 -6.061 -3.570 -7.644 1.00 0.00 C ATOM 0 H LEU A 40 -3.432 -3.081 -9.516 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.494 -5.500 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.409 -3.809 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.391 -4.920 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.191 -2.309 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.554 -1.671 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.177 -2.094 -10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.050 -3.250 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.347 -2.742 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.812 -4.357 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.095 -3.963 -7.326 1.00 0.00 H new ATOM 613 N ALA A 41 -3.375 -5.529 -11.769 1.00 0.00 N ATOM 614 CA ALA A 41 -2.994 -6.389 -12.879 1.00 0.00 C ATOM 615 C ALA A 41 -1.680 -7.100 -12.596 1.00 0.00 C ATOM 616 O ALA A 41 -1.564 -8.312 -12.769 1.00 0.00 O ATOM 617 CB ALA A 41 -2.891 -5.576 -14.160 1.00 0.00 C ATOM 0 H ALA A 41 -3.149 -4.544 -11.904 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.767 -7.148 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.605 -6.230 -14.984 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.855 -5.117 -14.378 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.138 -4.797 -14.037 1.00 0.00 H new ATOM 623 N ALA A 42 -0.694 -6.332 -12.162 1.00 0.00 N ATOM 624 CA ALA A 42 0.626 -6.875 -11.854 1.00 0.00 C ATOM 625 C ALA A 42 0.539 -7.988 -10.815 1.00 0.00 C ATOM 626 O ALA A 42 1.346 -8.917 -10.819 1.00 0.00 O ATOM 627 CB ALA A 42 1.564 -5.773 -11.376 1.00 0.00 C ATOM 0 H ALA A 42 -0.780 -5.327 -12.013 1.00 0.00 H new ATOM 0 HA ALA A 42 1.030 -7.302 -12.772 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.542 -6.199 -11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.667 -5.019 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.155 -5.311 -10.477 1.00 0.00 H new ATOM 633 N LEU A 43 -0.443 -7.892 -9.923 1.00 0.00 N ATOM 634 CA LEU A 43 -0.624 -8.899 -8.882 1.00 0.00 C ATOM 635 C LEU A 43 -0.976 -10.256 -9.479 1.00 0.00 C ATOM 636 O LEU A 43 -0.755 -11.296 -8.859 1.00 0.00 O ATOM 637 CB LEU A 43 -1.710 -8.471 -7.895 1.00 0.00 C ATOM 638 CG LEU A 43 -1.251 -7.488 -6.830 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.438 -6.946 -6.049 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.269 -8.177 -5.908 1.00 0.00 C ATOM 0 H LEU A 43 -1.122 -7.131 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 43 0.323 -8.991 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.532 -8.023 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.105 -9.360 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.759 -6.642 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.086 -6.245 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.118 -6.434 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.962 -7.770 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.064 -7.477 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.753 -9.031 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.591 -8.521 -6.483 1.00 0.00 H new ATOM 652 N ALA A 44 -1.526 -10.239 -10.684 1.00 0.00 N ATOM 653 CA ALA A 44 -1.912 -11.468 -11.367 1.00 0.00 C ATOM 654 C ALA A 44 -0.710 -12.378 -11.608 1.00 0.00 C ATOM 655 O ALA A 44 -0.872 -13.558 -11.915 1.00 0.00 O ATOM 656 CB ALA A 44 -2.599 -11.141 -12.684 1.00 0.00 C ATOM 0 H ALA A 44 -1.716 -9.387 -11.211 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.609 -12.004 -10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.883 -12.066 -13.186 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.491 -10.544 -12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.916 -10.578 -13.320 1.00 0.00 H new ATOM 662 N SER A 45 0.495 -11.828 -11.478 1.00 0.00 N ATOM 663 CA SER A 45 1.710 -12.597 -11.694 1.00 0.00 C ATOM 664 C SER A 45 2.586 -12.648 -10.441 1.00 0.00 C ATOM 665 O SER A 45 3.583 -13.371 -10.411 1.00 0.00 O ATOM 666 CB SER A 45 2.506 -12.011 -12.862 1.00 0.00 C ATOM 667 OG SER A 45 3.762 -12.652 -12.993 1.00 0.00 O ATOM 0 H SER A 45 0.652 -10.853 -11.224 1.00 0.00 H new ATOM 0 HA SER A 45 1.411 -13.618 -11.931 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.939 -12.123 -13.786 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.654 -10.942 -12.706 1.00 0.00 H new ATOM 0 HG SER A 45 3.969 -13.138 -12.168 1.00 0.00 H new ATOM 673 N LYS A 46 2.223 -11.887 -9.411 1.00 0.00 N ATOM 674 CA LYS A 46 3.001 -11.871 -8.178 1.00 0.00 C ATOM 675 C LYS A 46 2.215 -11.244 -7.032 1.00 0.00 C ATOM 676 O LYS A 46 1.219 -10.558 -7.251 1.00 0.00 O ATOM 677 CB LYS A 46 4.309 -11.109 -8.394 1.00 0.00 C ATOM 678 CG LYS A 46 5.496 -11.711 -7.657 1.00 0.00 C ATOM 679 CD LYS A 46 6.328 -10.637 -6.971 1.00 0.00 C ATOM 680 CE LYS A 46 7.804 -10.755 -7.321 1.00 0.00 C ATOM 681 NZ LYS A 46 8.384 -9.455 -7.761 1.00 0.00 N ATOM 0 H LYS A 46 1.403 -11.280 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 46 3.224 -12.903 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.531 -11.081 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.176 -10.077 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.141 -12.427 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.120 -12.263 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.963 -9.652 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.203 -10.715 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.353 -11.121 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.930 -11.494 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.391 -9.583 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.878 -9.117 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.289 -8.756 -6.997 1.00 0.00 H new ATOM 695 N THR A 47 2.672 -11.484 -5.806 1.00 0.00 N ATOM 696 CA THR A 47 2.017 -10.943 -4.628 1.00 0.00 C ATOM 697 C THR A 47 3.039 -10.437 -3.608 1.00 0.00 C ATOM 698 O THR A 47 3.785 -11.224 -3.024 1.00 0.00 O ATOM 699 CB THR A 47 1.112 -12.001 -3.986 1.00 0.00 C ATOM 700 OG1 THR A 47 0.052 -12.348 -4.858 1.00 0.00 O ATOM 701 CG2 THR A 47 0.498 -11.553 -2.674 1.00 0.00 C ATOM 0 H THR A 47 3.496 -12.052 -5.607 1.00 0.00 H new ATOM 0 HA THR A 47 1.406 -10.098 -4.945 1.00 0.00 H new ATOM 0 HB THR A 47 1.761 -12.854 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.514 -13.025 -4.432 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.130 -12.350 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.290 -11.324 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.108 -10.663 -2.841 1.00 0.00 H new ATOM 709 N PRO A 48 3.077 -9.114 -3.367 1.00 0.00 N ATOM 710 CA PRO A 48 4.001 -8.515 -2.400 1.00 0.00 C ATOM 711 C PRO A 48 3.609 -8.850 -0.964 1.00 0.00 C ATOM 712 O PRO A 48 2.429 -9.023 -0.661 1.00 0.00 O ATOM 713 CB PRO A 48 3.864 -7.014 -2.657 1.00 0.00 C ATOM 714 CG PRO A 48 2.495 -6.851 -3.222 1.00 0.00 C ATOM 715 CD PRO A 48 2.212 -8.103 -4.004 1.00 0.00 C ATOM 0 HA PRO A 48 5.020 -8.884 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.983 -6.442 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.625 -6.660 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.760 -6.713 -2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.441 -5.971 -3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.160 -8.382 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.452 -7.979 -5.060 1.00 0.00 H new ATOM 723 N ASP A 49 4.599 -8.945 -0.084 1.00 0.00 N ATOM 724 CA ASP A 49 4.341 -9.266 1.315 1.00 0.00 C ATOM 725 C ASP A 49 3.737 -8.074 2.052 1.00 0.00 C ATOM 726 O ASP A 49 3.084 -8.239 3.083 1.00 0.00 O ATOM 727 CB ASP A 49 5.633 -9.711 2.007 1.00 0.00 C ATOM 728 CG ASP A 49 6.178 -11.003 1.432 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.491 -12.040 1.548 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.287 -10.975 0.860 1.00 0.00 O ATOM 0 H ASP A 49 5.583 -8.805 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 49 3.622 -10.084 1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.384 -8.927 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.445 -9.841 3.073 1.00 0.00 H new ATOM 735 N VAL A 50 3.967 -6.874 1.527 1.00 0.00 N ATOM 736 CA VAL A 50 3.459 -5.659 2.141 1.00 0.00 C ATOM 737 C VAL A 50 3.168 -4.593 1.077 1.00 0.00 C ATOM 738 O VAL A 50 4.075 -3.901 0.617 1.00 0.00 O ATOM 739 CB VAL A 50 4.484 -5.125 3.153 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.829 -4.928 2.473 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.998 -3.842 3.802 1.00 0.00 C ATOM 0 H VAL A 50 4.505 -6.721 0.674 1.00 0.00 H new ATOM 0 HA VAL A 50 2.527 -5.891 2.656 1.00 0.00 H new ATOM 0 HB VAL A 50 4.604 -5.860 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.551 -4.549 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.179 -5.881 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.723 -4.212 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.745 -3.488 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.840 -3.084 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.060 -4.031 4.324 1.00 0.00 H new ATOM 751 N LEU A 51 1.902 -4.479 0.680 1.00 0.00 N ATOM 752 CA LEU A 51 1.494 -3.512 -0.340 1.00 0.00 C ATOM 753 C LEU A 51 1.173 -2.145 0.267 1.00 0.00 C ATOM 754 O LEU A 51 0.639 -2.054 1.369 1.00 0.00 O ATOM 755 CB LEU A 51 0.285 -4.056 -1.110 1.00 0.00 C ATOM 756 CG LEU A 51 -0.171 -3.232 -2.321 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.901 -3.211 -3.400 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.470 -3.793 -2.882 1.00 0.00 C ATOM 0 H LEU A 51 1.139 -5.045 1.050 1.00 0.00 H new ATOM 0 HA LEU A 51 2.329 -3.371 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.521 -5.064 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.553 -4.141 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.342 -2.208 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.553 -2.620 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.812 -2.768 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.107 -4.230 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.782 -3.199 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.316 -4.826 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.244 -3.756 -2.115 1.00 0.00 H new ATOM 770 N LEU A 52 1.501 -1.083 -0.467 1.00 0.00 N ATOM 771 CA LEU A 52 1.243 0.282 -0.009 1.00 0.00 C ATOM 772 C LEU A 52 0.407 1.047 -1.035 1.00 0.00 C ATOM 773 O LEU A 52 0.857 1.286 -2.157 1.00 0.00 O ATOM 774 CB LEU A 52 2.569 1.011 0.238 1.00 0.00 C ATOM 775 CG LEU A 52 2.589 1.933 1.459 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.998 2.443 1.722 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.629 3.094 1.266 1.00 0.00 C ATOM 0 H LEU A 52 1.947 -1.141 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 52 0.682 0.234 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.358 0.268 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.811 1.601 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 52 2.265 1.359 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.991 3.097 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.662 1.599 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.351 2.999 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.657 3.739 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.923 3.666 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.618 2.711 1.129 1.00 0.00 H new ATOM 789 N SER A 53 -0.815 1.421 -0.654 1.00 0.00 N ATOM 790 CA SER A 53 -1.706 2.145 -1.559 1.00 0.00 C ATOM 791 C SER A 53 -2.006 3.558 -1.059 1.00 0.00 C ATOM 792 O SER A 53 -2.315 3.775 0.113 1.00 0.00 O ATOM 793 CB SER A 53 -3.013 1.368 -1.745 1.00 0.00 C ATOM 794 OG SER A 53 -3.105 0.833 -3.054 1.00 0.00 O ATOM 0 H SER A 53 -1.208 1.236 0.269 1.00 0.00 H new ATOM 0 HA SER A 53 -1.195 2.236 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.068 0.561 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.861 2.026 -1.557 1.00 0.00 H new ATOM 0 HG SER A 53 -4.025 0.923 -3.380 1.00 0.00 H new ATOM 800 N ASP A 54 -1.918 4.519 -1.969 1.00 0.00 N ATOM 801 CA ASP A 54 -2.183 5.912 -1.637 1.00 0.00 C ATOM 802 C ASP A 54 -3.682 6.202 -1.676 1.00 0.00 C ATOM 803 O ASP A 54 -4.492 5.305 -1.907 1.00 0.00 O ATOM 804 CB ASP A 54 -1.446 6.833 -2.612 1.00 0.00 C ATOM 805 CG ASP A 54 -0.580 7.855 -1.901 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.132 8.674 -1.137 1.00 0.00 O ATOM 807 OD2 ASP A 54 0.651 7.837 -2.110 1.00 0.00 O ATOM 0 H ASP A 54 -1.665 4.359 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.822 6.099 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.824 6.232 -3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.173 7.350 -3.239 1.00 0.00 H new ATOM 812 N ILE A 55 -4.039 7.462 -1.451 1.00 0.00 N ATOM 813 CA ILE A 55 -5.433 7.882 -1.466 1.00 0.00 C ATOM 814 C ILE A 55 -5.550 9.331 -1.936 1.00 0.00 C ATOM 815 O ILE A 55 -5.167 10.260 -1.225 1.00 0.00 O ATOM 816 CB ILE A 55 -6.087 7.717 -0.072 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.533 8.237 -0.076 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.262 8.409 1.005 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.692 9.661 0.410 1.00 0.00 C ATOM 0 H ILE A 55 -3.377 8.213 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.966 7.239 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.114 6.652 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.928 8.167 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.142 7.584 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.744 8.277 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.263 7.973 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.187 9.473 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.744 9.943 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.332 9.738 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.114 10.330 -0.228 1.00 0.00 H new ATOM 831 N ARG A 56 -6.069 9.517 -3.147 1.00 0.00 N ATOM 832 CA ARG A 56 -6.219 10.855 -3.706 1.00 0.00 C ATOM 833 C ARG A 56 -7.222 10.880 -4.859 1.00 0.00 C ATOM 834 O ARG A 56 -6.844 11.009 -6.024 1.00 0.00 O ATOM 835 CB ARG A 56 -4.863 11.392 -4.174 1.00 0.00 C ATOM 836 CG ARG A 56 -4.295 12.473 -3.267 1.00 0.00 C ATOM 837 CD ARG A 56 -3.083 13.144 -3.891 1.00 0.00 C ATOM 838 NE ARG A 56 -3.084 14.586 -3.669 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.980 15.153 -2.469 1.00 0.00 C ATOM 840 NH1 ARG A 56 -2.851 14.403 -1.382 1.00 0.00 N ATOM 841 NH2 ARG A 56 -3.006 16.472 -2.357 1.00 0.00 N ATOM 0 H ARG A 56 -6.390 8.764 -3.755 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.607 11.498 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.154 10.566 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.968 11.792 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.062 13.220 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.017 12.036 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.174 12.713 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.067 12.942 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.169 15.196 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.831 13.386 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.772 14.843 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.106 17.053 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.926 16.907 -1.438 1.00 0.00 H new ATOM 855 N MET A 57 -8.502 10.773 -4.512 1.00 0.00 N ATOM 856 CA MET A 57 -9.596 10.810 -5.484 1.00 0.00 C ATOM 857 C MET A 57 -9.285 10.073 -6.794 1.00 0.00 C ATOM 858 O MET A 57 -9.480 10.622 -7.878 1.00 0.00 O ATOM 859 CB MET A 57 -9.967 12.261 -5.788 1.00 0.00 C ATOM 860 CG MET A 57 -8.817 13.083 -6.345 1.00 0.00 C ATOM 861 SD MET A 57 -9.374 14.386 -7.459 1.00 0.00 S ATOM 862 CE MET A 57 -7.885 14.668 -8.415 1.00 0.00 C ATOM 0 H MET A 57 -8.813 10.658 -3.547 1.00 0.00 H new ATOM 0 HA MET A 57 -10.433 10.284 -5.024 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.790 12.274 -6.502 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.330 12.733 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.260 13.528 -5.520 1.00 0.00 H new ATOM 0 HG3 MET A 57 -8.129 12.425 -6.876 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.068 15.451 -9.151 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.079 14.977 -7.750 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.601 13.748 -8.926 1.00 0.00 H new ATOM 872 N PRO A 58 -8.833 8.812 -6.719 1.00 0.00 N ATOM 873 CA PRO A 58 -8.542 8.015 -7.912 1.00 0.00 C ATOM 874 C PRO A 58 -9.821 7.498 -8.571 1.00 0.00 C ATOM 875 O PRO A 58 -10.232 7.992 -9.622 1.00 0.00 O ATOM 876 CB PRO A 58 -7.702 6.861 -7.374 1.00 0.00 C ATOM 877 CG PRO A 58 -8.091 6.722 -5.939 1.00 0.00 C ATOM 878 CD PRO A 58 -8.600 8.063 -5.478 1.00 0.00 C ATOM 0 HA PRO A 58 -8.034 8.592 -8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.899 5.941 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.637 7.071 -7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.860 5.959 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.237 6.409 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.517 7.962 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.873 8.566 -4.841 1.00 0.00 H new ATOM 886 N GLY A 59 -10.454 6.512 -7.936 1.00 0.00 N ATOM 887 CA GLY A 59 -11.690 5.948 -8.453 1.00 0.00 C ATOM 888 C GLY A 59 -12.851 6.156 -7.494 1.00 0.00 C ATOM 889 O GLY A 59 -14.008 6.226 -7.905 1.00 0.00 O ATOM 0 H GLY A 59 -10.129 6.092 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.925 6.407 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.555 4.882 -8.634 1.00 0.00 H new ATOM 893 N MET A 60 -12.526 6.265 -6.209 1.00 0.00 N ATOM 894 CA MET A 60 -13.517 6.482 -5.161 1.00 0.00 C ATOM 895 C MET A 60 -12.840 7.058 -3.927 1.00 0.00 C ATOM 896 O MET A 60 -12.705 6.384 -2.900 1.00 0.00 O ATOM 897 CB MET A 60 -14.239 5.183 -4.794 1.00 0.00 C ATOM 898 CG MET A 60 -15.283 5.352 -3.699 1.00 0.00 C ATOM 899 SD MET A 60 -16.955 5.551 -4.345 1.00 0.00 S ATOM 900 CE MET A 60 -17.898 5.583 -2.821 1.00 0.00 C ATOM 0 H MET A 60 -11.567 6.205 -5.865 1.00 0.00 H new ATOM 0 HA MET A 60 -14.259 7.185 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.722 4.782 -5.685 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.503 4.447 -4.471 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.255 4.484 -3.040 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.028 6.221 -3.092 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.957 5.701 -3.051 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.746 4.649 -2.280 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.565 6.418 -2.205 1.00 0.00 H new ATOM 910 N ASP A 61 -12.398 8.307 -4.049 1.00 0.00 N ATOM 911 CA ASP A 61 -11.723 9.015 -2.964 1.00 0.00 C ATOM 912 C ASP A 61 -10.344 8.433 -2.661 1.00 0.00 C ATOM 913 O ASP A 61 -9.470 9.133 -2.154 1.00 0.00 O ATOM 914 CB ASP A 61 -12.589 8.990 -1.706 1.00 0.00 C ATOM 915 CG ASP A 61 -13.077 10.370 -1.310 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.253 11.173 -0.822 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.280 10.647 -1.490 1.00 0.00 O ATOM 0 H ASP A 61 -12.497 8.857 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.576 10.045 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.447 8.339 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.017 8.560 -0.883 1.00 0.00 H new ATOM 922 N GLY A 62 -10.154 7.157 -2.971 1.00 0.00 N ATOM 923 CA GLY A 62 -8.886 6.509 -2.719 1.00 0.00 C ATOM 924 C GLY A 62 -9.082 5.089 -2.259 1.00 0.00 C ATOM 925 O GLY A 62 -8.251 4.217 -2.522 1.00 0.00 O ATOM 0 H GLY A 62 -10.862 6.558 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.282 6.520 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.334 7.066 -1.962 1.00 0.00 H new ATOM 929 N LEU A 63 -10.192 4.851 -1.574 1.00 0.00 N ATOM 930 CA LEU A 63 -10.500 3.522 -1.087 1.00 0.00 C ATOM 931 C LEU A 63 -10.887 2.618 -2.252 1.00 0.00 C ATOM 932 O LEU A 63 -10.793 1.397 -2.158 1.00 0.00 O ATOM 933 CB LEU A 63 -11.611 3.559 -0.031 1.00 0.00 C ATOM 934 CG LEU A 63 -11.398 4.561 1.112 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.038 5.905 0.791 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.936 4.000 2.419 1.00 0.00 C ATOM 0 H LEU A 63 -10.889 5.560 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.609 3.116 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.553 3.794 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.716 2.562 0.397 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.326 4.724 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.871 6.594 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.593 6.313 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.109 5.771 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.777 4.724 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.003 3.800 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.415 3.073 2.659 1.00 0.00 H new ATOM 948 N ALA A 64 -11.307 3.228 -3.367 1.00 0.00 N ATOM 949 CA ALA A 64 -11.683 2.459 -4.553 1.00 0.00 C ATOM 950 C ALA A 64 -10.559 1.517 -4.954 1.00 0.00 C ATOM 951 O ALA A 64 -10.794 0.359 -5.294 1.00 0.00 O ATOM 952 CB ALA A 64 -12.008 3.390 -5.709 1.00 0.00 C ATOM 0 H ALA A 64 -11.393 4.239 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.569 1.872 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.286 2.801 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.838 4.040 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.134 3.998 -5.943 1.00 0.00 H new ATOM 958 N LEU A 65 -9.333 2.025 -4.900 1.00 0.00 N ATOM 959 CA LEU A 65 -8.163 1.232 -5.246 1.00 0.00 C ATOM 960 C LEU A 65 -8.175 -0.084 -4.477 1.00 0.00 C ATOM 961 O LEU A 65 -8.024 -1.157 -5.057 1.00 0.00 O ATOM 962 CB LEU A 65 -6.881 2.012 -4.936 1.00 0.00 C ATOM 963 CG LEU A 65 -6.799 3.405 -5.565 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.765 4.257 -4.846 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.469 3.304 -7.046 1.00 0.00 C ATOM 0 H LEU A 65 -9.125 2.983 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.191 1.016 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.788 2.113 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.027 1.426 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.772 3.885 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.722 5.243 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.044 4.359 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.788 3.780 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.415 4.304 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.509 2.803 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.246 2.732 -7.554 1.00 0.00 H new ATOM 977 N LEU A 66 -8.366 0.016 -3.165 1.00 0.00 N ATOM 978 CA LEU A 66 -8.411 -1.155 -2.293 1.00 0.00 C ATOM 979 C LEU A 66 -9.405 -2.196 -2.803 1.00 0.00 C ATOM 980 O LEU A 66 -9.047 -3.351 -3.028 1.00 0.00 O ATOM 981 CB LEU A 66 -8.801 -0.738 -0.878 1.00 0.00 C ATOM 982 CG LEU A 66 -7.653 -0.253 0.004 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.203 0.441 1.238 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.755 -1.419 0.394 1.00 0.00 C ATOM 0 H LEU A 66 -8.493 0.903 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.417 -1.602 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.546 0.055 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.280 -1.585 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.053 0.464 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.377 0.784 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.808 1.296 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.819 -0.258 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.941 -1.057 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.337 -2.158 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.343 -1.877 -0.505 1.00 0.00 H new ATOM 996 N LYS A 67 -10.659 -1.778 -2.967 1.00 0.00 N ATOM 997 CA LYS A 67 -11.722 -2.668 -3.434 1.00 0.00 C ATOM 998 C LYS A 67 -11.238 -3.584 -4.559 1.00 0.00 C ATOM 999 O LYS A 67 -11.471 -4.793 -4.538 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.922 -1.853 -3.921 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.624 -1.085 -2.815 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.110 -0.941 -3.102 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.778 0.007 -2.120 1.00 0.00 C ATOM 1004 NZ LYS A 67 -15.561 1.433 -2.490 1.00 0.00 N ATOM 0 H LYS A 67 -10.965 -0.823 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.019 -3.291 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.588 -1.150 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.637 -2.524 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.483 -1.600 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.174 -0.098 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.251 -0.573 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.588 -1.919 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.848 -0.200 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.386 -0.172 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.032 2.047 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.541 1.638 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.958 1.611 -3.435 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.569 -3.000 -5.542 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.066 -3.764 -6.673 1.00 0.00 C ATOM 1020 C GLN A 68 -8.925 -4.688 -6.254 1.00 0.00 C ATOM 1021 O GLN A 68 -8.798 -5.803 -6.765 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.594 -2.827 -7.780 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.590 -1.737 -8.138 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.819 -2.288 -8.834 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.753 -3.317 -9.506 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.948 -1.608 -8.678 1.00 0.00 N ATOM 0 H GLN A 68 -10.362 -2.002 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.884 -4.379 -7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.658 -2.362 -7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.380 -3.415 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.893 -1.212 -7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.107 -1.004 -8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.958 -0.759 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.805 -1.934 -9.124 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.101 -4.223 -5.322 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.971 -5.006 -4.830 1.00 0.00 C ATOM 1037 C ILE A 69 -7.425 -6.376 -4.341 1.00 0.00 C ATOM 1038 O ILE A 69 -6.821 -7.395 -4.671 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.230 -4.249 -3.699 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.636 -2.946 -4.243 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.137 -5.110 -3.082 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -4.862 -2.152 -3.209 1.00 0.00 C ATOM 0 H ILE A 69 -8.194 -3.304 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.280 -5.152 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.952 -4.015 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.976 -3.179 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.442 -2.326 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.636 -4.551 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.579 -6.014 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.412 -5.383 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.471 -1.243 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.523 -1.888 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.035 -2.754 -2.833 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.490 -6.386 -3.561 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.031 -7.626 -3.013 1.00 0.00 C ATOM 1056 C LYS A 70 -9.699 -8.493 -4.072 1.00 0.00 C ATOM 1057 O LYS A 70 -9.780 -9.712 -3.920 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.029 -7.327 -1.897 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.301 -6.658 -2.388 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.528 -7.515 -2.122 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.758 -6.660 -1.862 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.716 -6.705 -3.002 1.00 0.00 N ATOM 0 H LYS A 70 -9.003 -5.547 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.184 -8.185 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.288 -8.258 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.553 -6.685 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.418 -5.693 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.219 -6.462 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.710 -8.167 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.344 -8.160 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.255 -7.005 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.453 -5.629 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.541 -6.110 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.249 -6.352 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.027 -7.685 -3.155 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.194 -7.873 -5.130 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.873 -8.626 -6.180 1.00 0.00 C ATOM 1078 C GLN A 71 -9.931 -9.629 -6.837 1.00 0.00 C ATOM 1079 O GLN A 71 -10.359 -10.689 -7.293 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.454 -7.680 -7.231 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.928 -7.383 -7.022 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.310 -5.983 -7.457 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.797 -5.778 -8.568 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.088 -5.011 -6.581 1.00 0.00 N ATOM 0 H GLN A 71 -10.142 -6.867 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.689 -9.180 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.896 -6.744 -7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.315 -8.117 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.523 -8.107 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.174 -7.511 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.682 -5.228 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.323 -4.047 -6.818 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.650 -9.297 -6.871 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.648 -10.177 -7.467 1.00 0.00 C ATOM 1095 C ARG A 72 -7.068 -11.135 -6.438 1.00 0.00 C ATOM 1096 O ARG A 72 -7.146 -12.356 -6.582 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.522 -9.359 -8.093 1.00 0.00 C ATOM 1098 CG ARG A 72 -6.915 -8.680 -9.393 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.148 -7.191 -9.194 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.139 -6.666 -10.127 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.955 -6.592 -11.443 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.805 -6.979 -11.986 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -8.921 -6.126 -12.218 1.00 0.00 N ATOM 0 H ARG A 72 -8.276 -8.426 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.145 -10.761 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.196 -8.601 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.669 -10.012 -8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.131 -8.831 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.820 -9.142 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.480 -7.009 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.207 -6.656 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.026 -6.336 -9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.056 -7.336 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.672 -6.919 -12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.804 -5.824 -11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.782 -6.068 -13.227 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.472 -10.561 -5.412 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.846 -11.328 -4.342 1.00 0.00 C ATOM 1119 C HIS A 73 -6.876 -11.812 -3.321 1.00 0.00 C ATOM 1120 O HIS A 73 -8.041 -11.418 -3.369 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.794 -10.456 -3.653 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.376 -9.401 -2.756 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.175 -9.689 -1.673 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -5.249 -8.058 -2.774 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.509 -8.571 -1.063 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -5.961 -7.566 -1.704 1.00 0.00 N ATOM 0 H HIS A 73 -6.405 -9.550 -5.292 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.376 -12.210 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.133 -11.095 -3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.179 -9.975 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.692 -7.477 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.130 -8.494 -0.183 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.048 -6.582 -1.451 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.451 -12.663 -2.364 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.325 -13.182 -1.320 1.00 0.00 C ATOM 1137 C PRO A 74 -7.384 -12.254 -0.106 1.00 0.00 C ATOM 1138 O PRO A 74 -8.464 -11.856 0.332 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.666 -14.510 -0.954 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.208 -14.327 -1.246 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.077 -13.176 -2.218 1.00 0.00 C ATOM 0 HA PRO A 74 -8.359 -13.279 -1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.829 -14.752 0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.084 -15.330 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.657 -14.118 -0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.786 -15.237 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.404 -12.408 -1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.673 -13.507 -3.174 1.00 0.00 H new ATOM 1149 N MET A 75 -6.211 -11.903 0.422 1.00 0.00 N ATOM 1150 CA MET A 75 -6.123 -11.008 1.573 1.00 0.00 C ATOM 1151 C MET A 75 -4.751 -10.332 1.641 1.00 0.00 C ATOM 1152 O MET A 75 -4.103 -10.325 2.689 1.00 0.00 O ATOM 1153 CB MET A 75 -6.386 -11.778 2.870 1.00 0.00 C ATOM 1154 CG MET A 75 -7.852 -12.107 3.099 1.00 0.00 C ATOM 1155 SD MET A 75 -8.147 -12.858 4.712 1.00 0.00 S ATOM 1156 CE MET A 75 -9.483 -13.983 4.323 1.00 0.00 C ATOM 0 H MET A 75 -5.310 -12.225 0.070 1.00 0.00 H new ATOM 0 HA MET A 75 -6.883 -10.236 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.813 -12.705 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.019 -11.191 3.712 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.443 -11.196 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.195 -12.785 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.778 -14.523 5.223 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.335 -13.419 3.943 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.151 -14.694 3.566 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.313 -9.763 0.520 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.028 -9.086 0.451 1.00 0.00 C ATOM 1168 C LEU A 76 -3.012 -7.853 1.347 1.00 0.00 C ATOM 1169 O LEU A 76 -3.737 -6.892 1.100 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.742 -8.674 -0.991 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.270 -8.526 -1.352 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.148 -8.116 -2.808 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.599 -7.509 -0.442 1.00 0.00 C ATOM 0 H LEU A 76 -4.836 -9.760 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.258 -9.775 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.189 -9.413 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.243 -7.726 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.765 -9.482 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.095 -8.009 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.603 -8.879 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.658 -7.165 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.452 -7.416 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.090 -6.542 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.678 -7.839 0.594 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.188 -7.861 2.405 1.00 0.00 N ATOM 1186 CA PRO A 77 -2.094 -6.733 3.335 1.00 0.00 C ATOM 1187 C PRO A 77 -1.547 -5.469 2.673 1.00 0.00 C ATOM 1188 O PRO A 77 -0.399 -5.425 2.233 1.00 0.00 O ATOM 1189 CB PRO A 77 -1.131 -7.233 4.417 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.370 -8.342 3.779 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.294 -8.968 2.779 1.00 0.00 C ATOM 0 HA PRO A 77 -3.073 -6.447 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.464 -6.437 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.673 -7.582 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.531 -7.966 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.050 -9.072 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.751 -9.355 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.846 -9.803 3.209 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.389 -4.447 2.612 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.036 -3.167 2.018 1.00 0.00 C ATOM 1201 C VAL A 78 -2.043 -2.055 3.064 1.00 0.00 C ATOM 1202 O VAL A 78 -2.752 -2.139 4.070 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.018 -2.767 0.900 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.441 -1.633 0.069 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.366 -3.960 0.022 1.00 0.00 C ATOM 0 H VAL A 78 -3.341 -4.484 2.975 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.036 -3.289 1.602 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.940 -2.419 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.147 -1.362 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.260 -0.769 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.502 -1.954 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.060 -3.648 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.458 -4.352 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.829 -4.737 0.630 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.268 -1.007 2.810 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.201 0.133 3.718 1.00 0.00 C ATOM 1217 C ILE A 79 -1.617 1.411 3.001 1.00 0.00 C ATOM 1218 O ILE A 79 -0.975 1.825 2.037 1.00 0.00 O ATOM 1219 CB ILE A 79 0.213 0.322 4.290 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.758 -1.005 4.826 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.199 1.379 5.385 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.979 -1.502 4.086 1.00 0.00 C ATOM 0 H ILE A 79 -0.677 -0.923 1.983 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.886 -0.073 4.540 1.00 0.00 H new ATOM 0 HB ILE A 79 0.871 0.661 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.006 -0.887 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.025 -1.761 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.206 1.504 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.148 2.326 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.471 1.065 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.309 -2.446 4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.731 -1.653 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.779 -0.766 4.168 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.700 2.027 3.465 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.203 3.254 2.851 1.00 0.00 C ATOM 1236 C ILE A 80 -2.764 4.495 3.621 1.00 0.00 C ATOM 1237 O ILE A 80 -2.550 4.449 4.832 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.737 3.241 2.736 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.221 1.859 2.309 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.208 4.298 1.744 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.755 1.460 0.925 1.00 0.00 C ATOM 0 H ILE A 80 -3.246 1.699 4.262 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.773 3.294 1.850 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.160 3.474 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.870 1.120 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.310 1.839 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.296 4.274 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.887 5.283 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.778 4.094 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.135 0.467 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.128 2.178 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.665 1.448 0.897 1.00 0.00 H new ATOM 1253 N MET A 81 -2.613 5.599 2.894 1.00 0.00 N ATOM 1254 CA MET A 81 -2.178 6.864 3.489 1.00 0.00 C ATOM 1255 C MET A 81 -3.224 7.465 4.447 1.00 0.00 C ATOM 1256 O MET A 81 -2.898 7.793 5.586 1.00 0.00 O ATOM 1257 CB MET A 81 -1.823 7.865 2.383 1.00 0.00 C ATOM 1258 CG MET A 81 -1.640 9.293 2.874 1.00 0.00 C ATOM 1259 SD MET A 81 -1.161 10.430 1.559 1.00 0.00 S ATOM 1260 CE MET A 81 -2.662 10.479 0.582 1.00 0.00 C ATOM 0 H MET A 81 -2.785 5.645 1.890 1.00 0.00 H new ATOM 0 HA MET A 81 -1.294 6.652 4.090 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.905 7.540 1.894 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.609 7.850 1.628 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.570 9.639 3.326 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.881 9.309 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.545 11.197 -0.229 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.858 9.491 0.166 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.498 10.779 1.214 1.00 0.00 H new ATOM 1270 N THR A 82 -4.467 7.624 3.987 1.00 0.00 N ATOM 1271 CA THR A 82 -5.526 8.206 4.828 1.00 0.00 C ATOM 1272 C THR A 82 -6.881 7.547 4.563 1.00 0.00 C ATOM 1273 O THR A 82 -7.168 7.138 3.441 1.00 0.00 O ATOM 1274 CB THR A 82 -5.635 9.712 4.583 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.352 10.295 4.439 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.353 10.449 5.695 1.00 0.00 C ATOM 0 H THR A 82 -4.767 7.363 3.048 1.00 0.00 H new ATOM 0 HA THR A 82 -5.253 8.024 5.867 1.00 0.00 H new ATOM 0 HB THR A 82 -6.217 9.812 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.446 11.258 4.282 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.396 11.512 5.459 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.366 10.059 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.815 10.307 6.632 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.709 7.443 5.609 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.027 6.820 5.486 1.00 0.00 C ATOM 1286 C ALA A 83 -10.165 7.824 5.702 1.00 0.00 C ATOM 1287 O ALA A 83 -11.013 7.637 6.576 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.149 5.663 6.470 1.00 0.00 C ATOM 0 H ALA A 83 -7.489 7.782 6.546 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.119 6.444 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.133 5.204 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.380 4.921 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.021 6.035 7.487 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.193 8.880 4.898 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.245 9.886 5.016 1.00 0.00 C ATOM 1296 C HIS A 84 -12.339 9.660 3.968 1.00 0.00 C ATOM 1297 O HIS A 84 -12.294 8.689 3.216 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.653 11.294 4.904 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.116 11.621 3.547 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.755 11.897 2.389 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -8.769 11.701 3.267 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -9.795 12.134 1.439 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -8.603 12.012 1.996 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.508 9.062 4.164 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.706 9.789 5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.421 12.022 5.165 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.852 11.400 5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.973 11.535 3.978 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.983 12.380 0.404 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.708 12.137 1.524 1.00 0.00 H new ATOM 1312 N SER A 85 -13.320 10.563 3.935 1.00 0.00 N ATOM 1313 CA SER A 85 -14.439 10.475 2.990 1.00 0.00 C ATOM 1314 C SER A 85 -15.386 9.331 3.345 1.00 0.00 C ATOM 1315 O SER A 85 -16.568 9.559 3.605 1.00 0.00 O ATOM 1316 CB SER A 85 -13.948 10.312 1.547 1.00 0.00 C ATOM 1317 OG SER A 85 -13.588 8.971 1.268 1.00 0.00 O ATOM 0 H SER A 85 -13.364 11.371 4.556 1.00 0.00 H new ATOM 0 HA SER A 85 -14.986 11.415 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.730 10.631 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.090 10.963 1.378 1.00 0.00 H new ATOM 0 HG SER A 85 -12.780 8.738 1.772 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.876 8.104 3.337 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.710 6.947 3.644 1.00 0.00 C ATOM 1325 C ASP A 86 -14.891 5.780 4.198 1.00 0.00 C ATOM 1326 O ASP A 86 -14.492 4.881 3.456 1.00 0.00 O ATOM 1327 CB ASP A 86 -16.458 6.508 2.385 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.522 6.280 1.215 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.235 7.254 0.488 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.075 5.130 1.027 1.00 0.00 O ATOM 0 H ASP A 86 -13.903 7.886 3.124 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.420 7.243 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -17.008 5.590 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -17.193 7.267 2.118 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.663 5.792 5.511 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.906 4.731 6.180 1.00 0.00 C ATOM 1337 C LEU A 87 -14.471 3.347 5.852 1.00 0.00 C ATOM 1338 O LEU A 87 -13.787 2.336 6.008 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.903 4.948 7.697 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.516 5.067 8.338 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.646 5.275 9.839 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.672 3.831 8.041 1.00 0.00 C ATOM 0 H LEU A 87 -14.993 6.528 6.136 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.882 4.776 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.467 5.854 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.433 4.120 8.167 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.012 5.932 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.654 5.358 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.207 6.189 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.170 4.427 10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.692 3.939 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.168 2.947 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.552 3.723 6.963 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.729 3.304 5.418 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.389 2.041 5.093 1.00 0.00 C ATOM 1356 C ASP A 88 -15.511 1.157 4.209 1.00 0.00 C ATOM 1357 O ASP A 88 -15.208 0.019 4.569 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.718 2.305 4.381 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.748 2.946 5.289 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.661 4.171 5.512 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.642 2.221 5.775 1.00 0.00 O ATOM 0 H ASP A 88 -16.312 4.130 5.283 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.570 1.518 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.543 2.953 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.113 1.365 3.996 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.103 1.678 3.054 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.261 0.915 2.137 1.00 0.00 C ATOM 1368 C ALA A 89 -12.903 0.609 2.760 1.00 0.00 C ATOM 1369 O ALA A 89 -12.201 -0.303 2.322 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.085 1.658 0.819 1.00 0.00 C ATOM 0 H ALA A 89 -15.339 2.617 2.733 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.763 -0.032 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.454 1.071 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.059 1.812 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.615 2.624 1.006 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.537 1.379 3.781 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.259 1.193 4.459 1.00 0.00 C ATOM 1378 C ALA A 90 -11.293 0.000 5.409 1.00 0.00 C ATOM 1379 O ALA A 90 -10.376 -0.820 5.418 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.865 2.457 5.212 1.00 0.00 C ATOM 0 H ALA A 90 -13.107 2.137 4.156 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.509 0.988 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.909 2.300 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.775 3.286 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.628 2.691 5.954 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.350 -0.095 6.212 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.475 -1.195 7.162 1.00 0.00 C ATOM 1388 C VAL A 91 -12.552 -2.534 6.444 1.00 0.00 C ATOM 1389 O VAL A 91 -11.825 -3.469 6.781 1.00 0.00 O ATOM 1390 CB VAL A 91 -13.703 -1.044 8.075 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -13.601 -2.013 9.245 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -13.837 0.389 8.565 1.00 0.00 C ATOM 0 H VAL A 91 -13.124 0.569 6.224 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.580 -1.162 7.783 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.599 -1.284 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.474 -1.901 9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.557 -3.035 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.699 -1.798 9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.712 0.473 9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.945 0.666 9.127 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.950 1.057 7.711 1.00 0.00 H new ATOM 1402 N SER A 92 -13.422 -2.620 5.443 1.00 0.00 N ATOM 1403 CA SER A 92 -13.565 -3.852 4.676 1.00 0.00 C ATOM 1404 C SER A 92 -12.218 -4.253 4.087 1.00 0.00 C ATOM 1405 O SER A 92 -11.969 -5.428 3.820 1.00 0.00 O ATOM 1406 CB SER A 92 -14.596 -3.686 3.558 1.00 0.00 C ATOM 1407 OG SER A 92 -14.070 -2.918 2.490 1.00 0.00 O ATOM 0 H SER A 92 -14.033 -1.859 5.146 1.00 0.00 H new ATOM 0 HA SER A 92 -13.915 -4.636 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.900 -4.666 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.490 -3.203 3.952 1.00 0.00 H new ATOM 0 HG SER A 92 -13.593 -3.506 1.868 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.352 -3.262 3.891 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.030 -3.504 3.340 1.00 0.00 C ATOM 1415 C ALA A 93 -9.238 -4.448 4.226 1.00 0.00 C ATOM 1416 O ALA A 93 -8.717 -5.457 3.766 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.283 -2.198 3.154 1.00 0.00 C ATOM 0 H ALA A 93 -11.546 -2.284 4.107 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.151 -3.975 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.295 -2.400 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.838 -1.555 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.178 -1.699 4.117 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.153 -4.112 5.500 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.421 -4.944 6.454 1.00 0.00 C ATOM 1425 C TYR A 94 -8.967 -6.364 6.429 1.00 0.00 C ATOM 1426 O TYR A 94 -8.245 -7.334 6.659 1.00 0.00 O ATOM 1427 CB TYR A 94 -8.525 -4.388 7.878 1.00 0.00 C ATOM 1428 CG TYR A 94 -8.535 -2.880 7.967 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.543 -2.122 7.361 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -9.535 -2.213 8.671 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.546 -0.744 7.450 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.541 -0.835 8.764 1.00 0.00 C ATOM 1433 CZ TYR A 94 -8.546 -0.104 8.153 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.551 1.270 8.249 1.00 0.00 O ATOM 0 H TYR A 94 -9.577 -3.276 5.902 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.372 -4.942 6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -9.436 -4.772 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.688 -4.768 8.464 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.756 -2.618 6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.317 -2.782 9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.768 -0.169 6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.323 -0.332 9.314 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.522 1.661 7.351 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.257 -6.461 6.145 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.945 -7.740 6.079 1.00 0.00 C ATOM 1446 C GLN A 95 -10.628 -8.465 4.773 1.00 0.00 C ATOM 1447 O GLN A 95 -10.409 -9.674 4.762 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.457 -7.512 6.221 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.331 -8.663 5.736 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.486 -8.189 4.875 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -15.630 -8.595 5.072 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -14.188 -7.322 3.911 1.00 0.00 N ATOM 0 H GLN A 95 -10.855 -5.657 5.954 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.599 -8.371 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.683 -7.321 7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.727 -6.613 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.721 -9.364 5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.722 -9.206 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.225 -7.012 3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.923 -6.967 3.299 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.612 -7.719 3.676 1.00 0.00 N ATOM 1462 CA GLN A 96 -10.336 -8.293 2.372 1.00 0.00 C ATOM 1463 C GLN A 96 -8.844 -8.381 2.099 1.00 0.00 C ATOM 1464 O GLN A 96 -8.423 -9.112 1.208 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.995 -7.471 1.268 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.443 -6.059 1.150 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.451 -5.073 0.589 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.661 -5.272 0.701 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -10.956 -4.001 -0.023 1.00 0.00 N ATOM 0 H GLN A 96 -10.788 -6.714 3.667 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.750 -9.301 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.863 -7.985 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -12.067 -7.419 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.118 -5.718 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.561 -6.072 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.946 -3.875 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.586 -3.305 -0.422 1.00 0.00 H new ATOM 1478 N GLY A 97 -8.050 -7.623 2.852 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.619 -7.624 2.654 1.00 0.00 C ATOM 1480 C GLY A 97 -6.024 -6.237 2.786 1.00 0.00 C ATOM 1481 O GLY A 97 -5.843 -5.534 1.791 1.00 0.00 O ATOM 0 H GLY A 97 -8.378 -7.008 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.153 -8.288 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.391 -8.023 1.666 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.722 -5.845 4.018 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.142 -4.532 4.281 1.00 0.00 C ATOM 1487 C ALA A 98 -4.620 -4.416 5.709 1.00 0.00 C ATOM 1488 O ALA A 98 -5.354 -4.625 6.674 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.148 -3.433 3.989 1.00 0.00 C ATOM 0 H ALA A 98 -5.869 -6.416 4.850 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.290 -4.414 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.695 -2.462 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.447 -3.482 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.025 -3.564 4.623 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.339 -4.079 5.831 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.705 -3.933 7.135 1.00 0.00 C ATOM 1497 C PHE A 99 -3.428 -2.887 7.973 1.00 0.00 C ATOM 1498 O PHE A 99 -3.817 -3.153 9.110 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.231 -3.546 6.983 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.505 -3.429 8.296 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.508 -4.484 9.196 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.175 -2.268 8.632 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.152 -4.382 10.406 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.838 -2.163 9.842 1.00 0.00 C ATOM 1505 CZ PHE A 99 0.825 -3.222 10.730 1.00 0.00 C ATOM 0 H PHE A 99 -2.720 -3.902 5.040 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.765 -4.895 7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.730 -4.290 6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.165 -2.595 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.032 -5.395 8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.187 -1.437 7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.141 -5.211 11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.365 -1.254 10.092 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.341 -3.142 11.676 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.608 -1.693 7.409 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.287 -0.611 8.121 1.00 0.00 C ATOM 1517 C ASP A 100 -4.162 0.715 7.381 1.00 0.00 C ATOM 1518 O ASP A 100 -3.666 0.773 6.256 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.714 -0.462 9.537 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.747 -0.739 10.612 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.657 -1.559 10.365 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.645 -0.134 11.700 1.00 0.00 O ATOM 0 H ASP A 100 -3.296 -1.452 6.468 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.344 -0.872 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.874 -1.146 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.324 0.548 9.664 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.617 1.778 8.035 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.562 3.117 7.468 1.00 0.00 C ATOM 1529 C TYR A 101 -3.600 3.989 8.266 1.00 0.00 C ATOM 1530 O TYR A 101 -3.360 3.747 9.448 1.00 0.00 O ATOM 1531 CB TYR A 101 -5.955 3.749 7.440 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.691 3.522 6.139 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.325 2.315 5.878 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -6.749 4.516 5.173 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.995 2.106 4.689 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.420 4.314 3.981 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.040 3.107 3.744 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.706 2.902 2.558 1.00 0.00 O ATOM 0 H TYR A 101 -5.031 1.735 8.966 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.199 3.042 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.547 3.342 8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.863 4.821 7.615 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.294 1.527 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.262 5.463 5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.482 1.161 4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.458 5.098 3.240 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.283 3.431 1.850 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.040 4.992 7.607 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.089 5.890 8.248 1.00 0.00 C ATOM 1550 C LEU A 102 -2.756 7.221 8.611 1.00 0.00 C ATOM 1551 O LEU A 102 -3.637 7.698 7.896 1.00 0.00 O ATOM 1552 CB LEU A 102 -0.905 6.113 7.308 1.00 0.00 C ATOM 1553 CG LEU A 102 0.096 7.182 7.734 1.00 0.00 C ATOM 1554 CD1 LEU A 102 1.140 6.602 8.674 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.759 7.776 6.506 1.00 0.00 C ATOM 0 H LEU A 102 -3.227 5.205 6.627 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.734 5.439 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.372 5.169 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.293 6.378 6.324 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.436 7.968 8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.843 7.383 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.649 6.207 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.678 5.799 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.474 8.540 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.279 6.991 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.001 8.225 5.864 1.00 0.00 H new ATOM 1567 N PRO A 103 -2.355 7.831 9.745 1.00 0.00 N ATOM 1568 CA PRO A 103 -2.932 9.100 10.212 1.00 0.00 C ATOM 1569 C PRO A 103 -2.607 10.275 9.289 1.00 0.00 C ATOM 1570 O PRO A 103 -2.326 10.088 8.105 1.00 0.00 O ATOM 1571 CB PRO A 103 -2.297 9.308 11.596 1.00 0.00 C ATOM 1572 CG PRO A 103 -1.705 7.989 11.966 1.00 0.00 C ATOM 1573 CD PRO A 103 -1.332 7.328 10.674 1.00 0.00 C ATOM 0 HA PRO A 103 -4.021 9.057 10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.534 10.086 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.042 9.622 12.326 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.831 8.119 12.605 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -2.420 7.383 12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.326 7.601 10.355 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.357 6.241 10.753 1.00 0.00 H new ATOM 1581 N LYS A 104 -2.663 11.487 9.840 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.392 12.700 9.070 1.00 0.00 C ATOM 1583 C LYS A 104 -1.013 12.658 8.407 1.00 0.00 C ATOM 1584 O LYS A 104 -0.904 12.817 7.192 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.507 13.937 9.963 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.217 15.101 9.292 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.681 15.174 9.695 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.902 16.158 10.833 1.00 0.00 C ATOM 1589 NZ LYS A 104 -4.497 17.542 10.463 1.00 0.00 N ATOM 0 H LYS A 104 -2.894 11.655 10.819 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.140 12.757 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.043 13.670 10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.508 14.254 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.719 16.033 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.142 14.998 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.281 15.471 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.025 14.185 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.954 16.152 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.334 15.836 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.047 18.226 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.484 17.671 10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.676 17.697 9.450 1.00 0.00 H new ATOM 1603 N PRO A 105 0.061 12.439 9.189 1.00 0.00 N ATOM 1604 CA PRO A 105 1.425 12.374 8.650 1.00 0.00 C ATOM 1605 C PRO A 105 1.533 11.389 7.493 1.00 0.00 C ATOM 1606 O PRO A 105 0.647 10.561 7.298 1.00 0.00 O ATOM 1607 CB PRO A 105 2.259 11.905 9.841 1.00 0.00 C ATOM 1608 CG PRO A 105 1.485 12.341 11.035 1.00 0.00 C ATOM 1609 CD PRO A 105 0.037 12.226 10.648 1.00 0.00 C ATOM 0 HA PRO A 105 1.753 13.330 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.394 10.823 9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.254 12.351 9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.710 11.714 11.898 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.736 13.365 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.372 11.249 10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.576 12.972 11.154 1.00 0.00 H new ATOM 1617 N PHE A 106 2.617 11.482 6.728 1.00 0.00 N ATOM 1618 CA PHE A 106 2.829 10.591 5.595 1.00 0.00 C ATOM 1619 C PHE A 106 4.315 10.527 5.231 1.00 0.00 C ATOM 1620 O PHE A 106 5.095 9.914 5.957 1.00 0.00 O ATOM 1621 CB PHE A 106 1.982 11.025 4.393 1.00 0.00 C ATOM 1622 CG PHE A 106 2.068 10.075 3.227 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.585 8.781 3.337 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.632 10.473 2.023 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.663 7.902 2.275 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.712 9.598 0.958 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.227 8.311 1.084 1.00 0.00 C ATOM 0 H PHE A 106 3.361 12.165 6.873 1.00 0.00 H new ATOM 0 HA PHE A 106 2.509 9.589 5.882 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.941 11.113 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.303 12.015 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.141 8.455 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.013 11.478 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.283 6.896 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.154 9.920 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.289 7.626 0.252 1.00 0.00 H new ATOM 1637 N ASP A 107 4.712 11.152 4.117 1.00 0.00 N ATOM 1638 CA ASP A 107 6.109 11.145 3.682 1.00 0.00 C ATOM 1639 C ASP A 107 6.730 9.757 3.851 1.00 0.00 C ATOM 1640 O ASP A 107 6.057 8.808 4.242 1.00 0.00 O ATOM 1641 CB ASP A 107 6.915 12.185 4.466 1.00 0.00 C ATOM 1642 CG ASP A 107 6.924 11.909 5.956 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.373 10.815 6.355 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.480 12.789 6.727 1.00 0.00 O ATOM 0 H ASP A 107 4.084 11.669 3.502 1.00 0.00 H new ATOM 0 HA ASP A 107 6.135 11.402 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.940 12.200 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.497 13.175 4.286 1.00 0.00 H new ATOM 1649 N ILE A 108 8.013 9.641 3.551 1.00 0.00 N ATOM 1650 CA ILE A 108 8.701 8.364 3.676 1.00 0.00 C ATOM 1651 C ILE A 108 8.827 7.948 5.136 1.00 0.00 C ATOM 1652 O ILE A 108 8.667 6.778 5.482 1.00 0.00 O ATOM 1653 CB ILE A 108 10.087 8.412 2.992 1.00 0.00 C ATOM 1654 CG1 ILE A 108 10.099 7.498 1.772 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.204 8.020 3.945 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.947 7.736 0.819 1.00 0.00 C ATOM 0 H ILE A 108 8.597 10.409 3.221 1.00 0.00 H new ATOM 0 HA ILE A 108 8.100 7.611 3.166 1.00 0.00 H new ATOM 0 HB ILE A 108 10.265 9.441 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.037 7.637 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.073 6.461 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.160 8.067 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.218 8.707 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.036 7.005 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.024 7.049 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.004 7.568 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.983 8.763 0.454 1.00 0.00 H new ATOM 1668 N ASP A 109 9.126 8.914 5.981 1.00 0.00 N ATOM 1669 CA ASP A 109 9.294 8.665 7.409 1.00 0.00 C ATOM 1670 C ASP A 109 8.114 7.885 7.996 1.00 0.00 C ATOM 1671 O ASP A 109 8.296 6.803 8.548 1.00 0.00 O ATOM 1672 CB ASP A 109 9.460 9.990 8.154 1.00 0.00 C ATOM 1673 CG ASP A 109 10.047 9.805 9.538 1.00 0.00 C ATOM 1674 OD1 ASP A 109 9.423 9.096 10.357 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.127 10.369 9.805 1.00 0.00 O ATOM 0 H ASP A 109 9.260 9.887 5.706 1.00 0.00 H new ATOM 0 HA ASP A 109 10.190 8.057 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.104 10.651 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.491 10.481 8.236 1.00 0.00 H new ATOM 1680 N GLU A 110 6.911 8.442 7.881 1.00 0.00 N ATOM 1681 CA GLU A 110 5.717 7.798 8.414 1.00 0.00 C ATOM 1682 C GLU A 110 5.255 6.647 7.530 1.00 0.00 C ATOM 1683 O GLU A 110 4.687 5.671 8.020 1.00 0.00 O ATOM 1684 CB GLU A 110 4.586 8.816 8.600 1.00 0.00 C ATOM 1685 CG GLU A 110 4.919 9.913 9.595 1.00 0.00 C ATOM 1686 CD GLU A 110 4.484 9.567 11.005 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.282 9.292 11.205 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.345 9.573 11.910 1.00 0.00 O ATOM 0 H GLU A 110 6.739 9.337 7.424 1.00 0.00 H new ATOM 0 HA GLU A 110 5.979 7.385 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.353 9.269 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.689 8.294 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.994 10.096 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.435 10.839 9.286 1.00 0.00 H new ATOM 1695 N ALA A 111 5.509 6.753 6.231 1.00 0.00 N ATOM 1696 CA ALA A 111 5.121 5.700 5.304 1.00 0.00 C ATOM 1697 C ALA A 111 5.973 4.464 5.524 1.00 0.00 C ATOM 1698 O ALA A 111 5.455 3.373 5.768 1.00 0.00 O ATOM 1699 CB ALA A 111 5.235 6.172 3.862 1.00 0.00 C ATOM 0 H ALA A 111 5.978 7.550 5.800 1.00 0.00 H new ATOM 0 HA ALA A 111 4.078 5.447 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.939 5.366 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.582 7.031 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.266 6.458 3.653 1.00 0.00 H new ATOM 1705 N VAL A 112 7.289 4.637 5.448 1.00 0.00 N ATOM 1706 CA VAL A 112 8.205 3.530 5.655 1.00 0.00 C ATOM 1707 C VAL A 112 8.043 2.964 7.058 1.00 0.00 C ATOM 1708 O VAL A 112 8.189 1.763 7.285 1.00 0.00 O ATOM 1709 CB VAL A 112 9.671 3.943 5.447 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.582 2.735 5.606 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.851 4.587 4.082 1.00 0.00 C ATOM 0 H VAL A 112 7.739 5.530 5.246 1.00 0.00 H new ATOM 0 HA VAL A 112 7.956 2.771 4.913 1.00 0.00 H new ATOM 0 HB VAL A 112 9.943 4.678 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.618 3.039 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.466 2.321 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.316 1.979 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.894 4.874 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.569 3.877 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.219 5.473 4.011 1.00 0.00 H new ATOM 1721 N ALA A 113 7.733 3.848 7.987 1.00 0.00 N ATOM 1722 CA ALA A 113 7.537 3.472 9.375 1.00 0.00 C ATOM 1723 C ALA A 113 6.378 2.497 9.507 1.00 0.00 C ATOM 1724 O ALA A 113 6.477 1.474 10.186 1.00 0.00 O ATOM 1725 CB ALA A 113 7.267 4.713 10.206 1.00 0.00 C ATOM 0 H ALA A 113 7.610 4.844 7.802 1.00 0.00 H new ATOM 0 HA ALA A 113 8.441 2.983 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.120 4.428 11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.116 5.392 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.371 5.211 9.836 1.00 0.00 H new ATOM 1731 N LEU A 114 5.275 2.834 8.855 1.00 0.00 N ATOM 1732 CA LEU A 114 4.080 2.013 8.889 1.00 0.00 C ATOM 1733 C LEU A 114 4.223 0.774 8.008 1.00 0.00 C ATOM 1734 O LEU A 114 3.511 -0.211 8.198 1.00 0.00 O ATOM 1735 CB LEU A 114 2.871 2.837 8.442 1.00 0.00 C ATOM 1736 CG LEU A 114 1.527 2.108 8.504 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.190 1.731 9.938 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.428 2.972 7.906 1.00 0.00 C ATOM 0 H LEU A 114 5.186 3.680 8.292 1.00 0.00 H new ATOM 0 HA LEU A 114 3.934 1.676 9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.811 3.730 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.038 3.172 7.418 1.00 0.00 H new ATOM 0 HG LEU A 114 1.603 1.192 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.231 1.214 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.966 1.076 10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.131 2.633 10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.522 2.440 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.352 3.904 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.664 3.193 6.865 1.00 0.00 H new ATOM 1750 N VAL A 115 5.137 0.822 7.044 1.00 0.00 N ATOM 1751 CA VAL A 115 5.338 -0.312 6.149 1.00 0.00 C ATOM 1752 C VAL A 115 6.179 -1.407 6.800 1.00 0.00 C ATOM 1753 O VAL A 115 5.912 -2.593 6.618 1.00 0.00 O ATOM 1754 CB VAL A 115 5.952 0.112 4.788 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.462 0.310 4.864 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.601 -0.905 3.711 1.00 0.00 C ATOM 0 H VAL A 115 5.743 1.623 6.864 1.00 0.00 H new ATOM 0 HA VAL A 115 4.347 -0.720 5.949 1.00 0.00 H new ATOM 0 HB VAL A 115 5.519 1.078 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.840 0.606 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.691 1.089 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.936 -0.623 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.038 -0.595 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.996 -1.882 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.518 -0.967 3.609 1.00 0.00 H new ATOM 1766 N GLU A 116 7.193 -1.007 7.560 1.00 0.00 N ATOM 1767 CA GLU A 116 8.063 -1.965 8.231 1.00 0.00 C ATOM 1768 C GLU A 116 7.310 -2.699 9.333 1.00 0.00 C ATOM 1769 O GLU A 116 7.496 -3.898 9.533 1.00 0.00 O ATOM 1770 CB GLU A 116 9.291 -1.261 8.809 1.00 0.00 C ATOM 1771 CG GLU A 116 10.272 -0.798 7.745 1.00 0.00 C ATOM 1772 CD GLU A 116 11.384 0.063 8.308 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.316 -0.497 8.920 1.00 0.00 O ATOM 1774 OE2 GLU A 116 11.322 1.298 8.133 1.00 0.00 O ATOM 0 H GLU A 116 7.432 -0.029 7.726 1.00 0.00 H new ATOM 0 HA GLU A 116 8.394 -2.696 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.967 -0.400 9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.801 -1.938 9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.706 -1.669 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.734 -0.236 6.981 1.00 0.00 H new ATOM 1781 N ARG A 117 6.450 -1.975 10.042 1.00 0.00 N ATOM 1782 CA ARG A 117 5.664 -2.566 11.115 1.00 0.00 C ATOM 1783 C ARG A 117 4.712 -3.617 10.558 1.00 0.00 C ATOM 1784 O ARG A 117 4.305 -4.541 11.264 1.00 0.00 O ATOM 1785 CB ARG A 117 4.882 -1.482 11.859 1.00 0.00 C ATOM 1786 CG ARG A 117 5.769 -0.543 12.661 1.00 0.00 C ATOM 1787 CD ARG A 117 4.962 0.272 13.655 1.00 0.00 C ATOM 1788 NE ARG A 117 5.801 1.201 14.410 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.322 2.166 15.191 1.00 0.00 C ATOM 1790 NH1 ARG A 117 4.012 2.334 15.323 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.155 2.966 15.841 1.00 0.00 N ATOM 0 H ARG A 117 6.281 -0.980 9.892 1.00 0.00 H new ATOM 0 HA ARG A 117 6.343 -3.050 11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.306 -0.900 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.166 -1.956 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.526 -1.121 13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.297 0.127 11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.190 0.830 13.125 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.452 -0.400 14.346 1.00 0.00 H new ATOM 0 HE ARG A 117 6.813 1.104 14.334 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.366 1.722 14.824 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.651 3.075 15.923 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.163 2.842 15.742 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.789 3.706 16.440 1.00 0.00 H new ATOM 1805 N ALA A 118 4.370 -3.471 9.282 1.00 0.00 N ATOM 1806 CA ALA A 118 3.477 -4.404 8.615 1.00 0.00 C ATOM 1807 C ALA A 118 4.164 -5.747 8.399 1.00 0.00 C ATOM 1808 O ALA A 118 3.613 -6.797 8.725 1.00 0.00 O ATOM 1809 CB ALA A 118 3.010 -3.827 7.286 1.00 0.00 C ATOM 0 H ALA A 118 4.701 -2.710 8.689 1.00 0.00 H new ATOM 0 HA ALA A 118 2.607 -4.564 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.342 -4.535 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.480 -2.891 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.873 -3.641 6.647 1.00 0.00 H new ATOM 1815 N ILE A 119 5.375 -5.705 7.847 1.00 0.00 N ATOM 1816 CA ILE A 119 6.140 -6.916 7.592 1.00 0.00 C ATOM 1817 C ILE A 119 6.622 -7.540 8.894 1.00 0.00 C ATOM 1818 O ILE A 119 6.742 -8.758 9.012 1.00 0.00 O ATOM 1819 CB ILE A 119 7.357 -6.629 6.692 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.940 -5.802 5.476 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.017 -7.925 6.252 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.975 -4.781 5.067 1.00 0.00 C ATOM 0 H ILE A 119 5.845 -4.843 7.569 1.00 0.00 H new ATOM 0 HA ILE A 119 5.475 -7.613 7.081 1.00 0.00 H new ATOM 0 HB ILE A 119 8.081 -6.055 7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.749 -6.472 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.003 -5.291 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.874 -7.700 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.351 -8.479 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.300 -8.527 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.617 -4.228 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.149 -4.089 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.907 -5.288 4.816 1.00 0.00 H new ATOM 1834 N SER A 120 6.899 -6.686 9.866 1.00 0.00 N ATOM 1835 CA SER A 120 7.375 -7.126 11.170 1.00 0.00 C ATOM 1836 C SER A 120 6.273 -7.839 11.950 1.00 0.00 C ATOM 1837 O SER A 120 6.508 -8.881 12.561 1.00 0.00 O ATOM 1838 CB SER A 120 7.890 -5.930 11.973 1.00 0.00 C ATOM 1839 OG SER A 120 9.174 -5.530 11.524 1.00 0.00 O ATOM 0 H SER A 120 6.802 -5.675 9.776 1.00 0.00 H new ATOM 0 HA SER A 120 8.190 -7.832 11.009 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.193 -5.097 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.936 -6.190 13.031 1.00 0.00 H new ATOM 0 HG SER A 120 9.079 -4.919 10.763 1.00 0.00 H new ATOM 1845 N HIS A 121 5.073 -7.269 11.928 1.00 0.00 N ATOM 1846 CA HIS A 121 3.938 -7.851 12.637 1.00 0.00 C ATOM 1847 C HIS A 121 3.629 -9.253 12.125 1.00 0.00 C ATOM 1848 O HIS A 121 3.039 -10.068 12.834 1.00 0.00 O ATOM 1849 CB HIS A 121 2.701 -6.962 12.489 1.00 0.00 C ATOM 1850 CG HIS A 121 2.571 -5.937 13.572 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.427 -4.864 13.698 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.676 -5.822 14.582 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.069 -4.136 14.741 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.008 -4.696 15.293 1.00 0.00 N ATOM 0 H HIS A 121 4.861 -6.406 11.428 1.00 0.00 H new ATOM 0 HA HIS A 121 4.206 -7.920 13.691 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.739 -6.457 11.524 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.810 -7.590 12.485 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.215 -4.663 13.082 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.854 -6.492 14.789 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.560 -3.237 15.083 1.00 0.00 H new