USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -102:sc= 0.134 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.125 USER MOD Set 2.1: A 57 ASN : amide:sc= -8.02! C(o=-9!,f=-29!) USER MOD Set 2.2: A 60 MET CE :methyl 135:sc= -0.945 (180deg=-4.86!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.94! C(o=-1.9!,f=-15!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -137:sc= -2.77! (180deg=-3.32!) USER MOD Single : A 53 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.2!) USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.0678 (180deg=-1.08!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -81:sc= 0.0951 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 120:sc= 0.0921 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.0355 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0509 X(o=-0.051,f=-0.13) USER MOD Single : A 94 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.016) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.405 -10.455 -0.983 1.00 0.00 N ATOM 106 CA LEU A 11 25.800 -11.446 -1.979 1.00 0.00 C ATOM 107 C LEU A 11 24.976 -12.721 -1.835 1.00 0.00 C ATOM 108 O LEU A 11 24.371 -13.193 -2.798 1.00 0.00 O ATOM 109 CB LEU A 11 27.289 -11.770 -1.842 1.00 0.00 C ATOM 110 CG LEU A 11 27.764 -13.050 -2.530 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.434 -13.011 -4.015 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.258 -13.246 -2.319 1.00 0.00 C ATOM 0 HA LEU A 11 25.615 -11.025 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.861 -10.933 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.529 -11.841 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 11 27.241 -13.896 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 11 27.779 -13.930 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.356 -12.918 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.930 -12.157 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.579 -14.162 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.799 -12.398 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.468 -13.319 -1.252 1.00 0.00 H new ATOM 124 N TRP A 12 24.955 -13.273 -0.627 1.00 0.00 N ATOM 125 CA TRP A 12 24.202 -14.492 -0.357 1.00 0.00 C ATOM 126 C TRP A 12 22.825 -14.438 -1.009 1.00 0.00 C ATOM 127 O TRP A 12 22.278 -15.465 -1.409 1.00 0.00 O ATOM 128 CB TRP A 12 24.058 -14.704 1.151 1.00 0.00 C ATOM 129 CG TRP A 12 22.920 -13.936 1.752 1.00 0.00 C ATOM 130 CD1 TRP A 12 22.997 -12.756 2.434 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.534 -14.298 1.727 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.743 -12.361 2.835 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.828 -13.290 2.412 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.822 -15.373 1.191 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.446 -13.329 2.574 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.450 -15.411 1.353 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.774 -14.393 2.039 1.00 0.00 C ATOM 0 H TRP A 12 25.451 -12.896 0.181 1.00 0.00 H new ATOM 0 HA TRP A 12 24.752 -15.331 -0.784 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.915 -15.766 1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.985 -14.410 1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.909 -12.212 2.630 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.528 -11.514 3.362 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.334 -16.161 0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 18.923 -12.546 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.890 -16.239 0.944 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.701 -14.450 2.147 1.00 0.00 H new ATOM 148 N GLU A 13 22.271 -13.234 -1.112 1.00 0.00 N ATOM 149 CA GLU A 13 20.956 -13.048 -1.716 1.00 0.00 C ATOM 150 C GLU A 13 21.054 -13.037 -3.239 1.00 0.00 C ATOM 151 O GLU A 13 20.197 -13.588 -3.931 1.00 0.00 O ATOM 152 CB GLU A 13 20.325 -11.744 -1.225 1.00 0.00 C ATOM 153 CG GLU A 13 19.292 -11.943 -0.128 1.00 0.00 C ATOM 154 CD GLU A 13 18.002 -11.192 -0.398 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.201 -11.670 -1.229 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.795 -10.127 0.220 1.00 0.00 O ATOM 0 H GLU A 13 22.711 -12.374 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 13 20.325 -13.884 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.112 -11.086 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.855 -11.238 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.075 -13.006 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.709 -11.611 0.823 1.00 0.00 H new ATOM 163 N PHE A 14 22.103 -12.405 -3.754 1.00 0.00 N ATOM 164 CA PHE A 14 22.313 -12.320 -5.195 1.00 0.00 C ATOM 165 C PHE A 14 22.562 -13.703 -5.791 1.00 0.00 C ATOM 166 O PHE A 14 21.918 -14.097 -6.763 1.00 0.00 O ATOM 167 CB PHE A 14 23.493 -11.398 -5.506 1.00 0.00 C ATOM 168 CG PHE A 14 24.184 -11.725 -6.799 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.190 -12.677 -6.840 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.829 -11.079 -7.972 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.828 -12.981 -8.028 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.463 -11.379 -9.163 1.00 0.00 C ATOM 173 CZ PHE A 14 25.465 -12.330 -9.191 1.00 0.00 C ATOM 0 H PHE A 14 22.821 -11.944 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 14 21.410 -11.907 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.139 -10.368 -5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.215 -11.458 -4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.479 -13.187 -5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.048 -10.333 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.609 -13.726 -8.047 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.175 -10.870 -10.071 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.963 -12.564 -10.120 1.00 0.00 H new ATOM 183 N VAL A 15 23.502 -14.434 -5.201 1.00 0.00 N ATOM 184 CA VAL A 15 23.837 -15.773 -5.672 1.00 0.00 C ATOM 185 C VAL A 15 22.649 -16.718 -5.532 1.00 0.00 C ATOM 186 O VAL A 15 22.456 -17.614 -6.353 1.00 0.00 O ATOM 187 CB VAL A 15 25.037 -16.355 -4.901 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.732 -16.423 -3.412 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.401 -17.729 -5.442 1.00 0.00 C ATOM 0 H VAL A 15 24.045 -14.122 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 15 24.102 -15.681 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 15 25.893 -15.695 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.591 -16.837 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.523 -15.421 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.863 -17.060 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.251 -18.126 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.550 -18.401 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.664 -17.647 -6.497 1.00 0.00 H new ATOM 199 N ARG A 16 21.856 -16.511 -4.486 1.00 0.00 N ATOM 200 CA ARG A 16 20.686 -17.346 -4.237 1.00 0.00 C ATOM 201 C ARG A 16 19.586 -17.056 -5.254 1.00 0.00 C ATOM 202 O ARG A 16 19.015 -17.973 -5.844 1.00 0.00 O ATOM 203 CB ARG A 16 20.160 -17.114 -2.820 1.00 0.00 C ATOM 204 CG ARG A 16 18.837 -17.808 -2.540 1.00 0.00 C ATOM 205 CD ARG A 16 17.800 -16.834 -2.003 1.00 0.00 C ATOM 206 NE ARG A 16 17.447 -15.813 -2.985 1.00 0.00 N ATOM 207 CZ ARG A 16 16.510 -14.893 -2.784 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.836 -14.866 -1.643 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.246 -13.996 -3.726 1.00 0.00 N ATOM 0 H ARG A 16 22.002 -15.773 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 16 20.986 -18.389 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.903 -17.465 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.040 -16.043 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.466 -18.269 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 16 18.991 -18.611 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.904 -17.382 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.185 -16.354 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 16 17.947 -15.806 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.036 -15.553 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.117 -14.158 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.763 -14.013 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.526 -13.290 -3.571 1.00 0.00 H new ATOM 223 N ASP A 17 19.294 -15.776 -5.453 1.00 0.00 N ATOM 224 CA ASP A 17 18.262 -15.365 -6.399 1.00 0.00 C ATOM 225 C ASP A 17 18.510 -15.978 -7.773 1.00 0.00 C ATOM 226 O ASP A 17 17.570 -16.339 -8.482 1.00 0.00 O ATOM 227 CB ASP A 17 18.218 -13.840 -6.507 1.00 0.00 C ATOM 228 CG ASP A 17 16.871 -13.332 -6.983 1.00 0.00 C ATOM 229 OD1 ASP A 17 15.850 -13.677 -6.353 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.839 -12.589 -7.987 1.00 0.00 O ATOM 0 H ASP A 17 19.757 -15.005 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 17 17.301 -15.723 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.445 -13.403 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.994 -13.505 -7.196 1.00 0.00 H new ATOM 235 N LEU A 18 19.780 -16.092 -8.144 1.00 0.00 N ATOM 236 CA LEU A 18 20.152 -16.660 -9.435 1.00 0.00 C ATOM 237 C LEU A 18 19.603 -18.075 -9.586 1.00 0.00 C ATOM 238 O LEU A 18 19.092 -18.445 -10.644 1.00 0.00 O ATOM 239 CB LEU A 18 21.674 -16.673 -9.590 1.00 0.00 C ATOM 240 CG LEU A 18 22.312 -15.365 -10.061 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.749 -15.267 -9.575 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.251 -15.258 -11.577 1.00 0.00 C ATOM 0 H LEU A 18 20.570 -15.799 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 18 19.718 -16.036 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.115 -16.944 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.941 -17.459 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 18 21.749 -14.534 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.187 -14.330 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.767 -15.297 -8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.325 -16.104 -9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.709 -14.321 -11.894 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.789 -16.095 -12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.211 -15.281 -11.902 1.00 0.00 H new ATOM 254 N LEU A 19 19.709 -18.862 -8.520 1.00 0.00 N ATOM 255 CA LEU A 19 19.220 -20.236 -8.532 1.00 0.00 C ATOM 256 C LEU A 19 17.710 -20.275 -8.745 1.00 0.00 C ATOM 257 O LEU A 19 17.196 -21.132 -9.466 1.00 0.00 O ATOM 258 CB LEU A 19 19.581 -20.938 -7.222 1.00 0.00 C ATOM 259 CG LEU A 19 21.032 -21.401 -7.086 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.467 -21.371 -5.629 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.203 -22.797 -7.668 1.00 0.00 C ATOM 0 H LEU A 19 20.129 -18.572 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 19 19.698 -20.759 -9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.358 -20.261 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.932 -21.806 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 19 21.667 -20.715 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.502 -21.704 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.383 -20.354 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.828 -22.034 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.242 -23.110 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.557 -23.495 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.932 -22.787 -8.724 1.00 0.00 H new ATOM 273 N LEU A 20 17.005 -19.343 -8.114 1.00 0.00 N ATOM 274 CA LEU A 20 15.553 -19.269 -8.235 1.00 0.00 C ATOM 275 C LEU A 20 15.149 -18.544 -9.515 1.00 0.00 C ATOM 276 O LEU A 20 14.007 -18.642 -9.962 1.00 0.00 O ATOM 277 CB LEU A 20 14.956 -18.555 -7.021 1.00 0.00 C ATOM 278 CG LEU A 20 15.517 -18.964 -5.659 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.713 -18.326 -4.537 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.524 -20.479 -5.518 1.00 0.00 C ATOM 0 H LEU A 20 17.415 -18.628 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 20 15.165 -20.287 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.105 -17.482 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.880 -18.729 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 20 16.545 -18.608 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.127 -18.629 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.760 -17.241 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.675 -18.651 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.927 -20.752 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.506 -20.858 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.145 -20.914 -6.301 1.00 0.00 H new ATOM 292 N SER A 21 16.096 -17.818 -10.102 1.00 0.00 N ATOM 293 CA SER A 21 15.839 -17.075 -11.330 1.00 0.00 C ATOM 294 C SER A 21 16.611 -17.677 -12.500 1.00 0.00 C ATOM 295 O SER A 21 17.677 -17.197 -12.886 1.00 0.00 O ATOM 296 CB SER A 21 16.224 -15.605 -11.152 1.00 0.00 C ATOM 297 OG SER A 21 15.180 -14.876 -10.531 1.00 0.00 O ATOM 0 H SER A 21 17.048 -17.729 -9.747 1.00 0.00 H new ATOM 0 HA SER A 21 14.773 -17.140 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.130 -15.533 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.451 -15.165 -12.123 1.00 0.00 H new ATOM 0 HG SER A 21 15.451 -13.940 -10.427 1.00 0.00 H new ATOM 303 N PRO A 22 16.060 -18.754 -13.079 1.00 0.00 N ATOM 304 CA PRO A 22 16.679 -19.445 -14.214 1.00 0.00 C ATOM 305 C PRO A 22 16.635 -18.615 -15.492 1.00 0.00 C ATOM 306 O PRO A 22 17.171 -19.019 -16.524 1.00 0.00 O ATOM 307 CB PRO A 22 15.827 -20.708 -14.368 1.00 0.00 C ATOM 308 CG PRO A 22 14.503 -20.344 -13.788 1.00 0.00 C ATOM 309 CD PRO A 22 14.792 -19.380 -12.671 1.00 0.00 C ATOM 0 HA PRO A 22 17.736 -19.645 -14.041 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.735 -20.998 -15.415 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.272 -21.552 -13.841 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.859 -19.888 -14.540 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.983 -21.227 -13.417 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.997 -18.642 -12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.887 -19.892 -11.713 1.00 0.00 H new ATOM 317 N GLU A 23 15.995 -17.452 -15.416 1.00 0.00 N ATOM 318 CA GLU A 23 15.882 -16.566 -16.568 1.00 0.00 C ATOM 319 C GLU A 23 17.053 -15.589 -16.620 1.00 0.00 C ATOM 320 O GLU A 23 17.395 -15.070 -17.682 1.00 0.00 O ATOM 321 CB GLU A 23 14.562 -15.794 -16.519 1.00 0.00 C ATOM 322 CG GLU A 23 14.140 -15.223 -17.862 1.00 0.00 C ATOM 323 CD GLU A 23 12.968 -14.267 -17.748 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.898 -14.694 -17.266 1.00 0.00 O ATOM 325 OE2 GLU A 23 13.122 -13.091 -18.140 1.00 0.00 O ATOM 0 H GLU A 23 15.547 -17.102 -14.569 1.00 0.00 H new ATOM 0 HA GLU A 23 15.902 -17.180 -17.469 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.777 -16.456 -16.153 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.654 -14.980 -15.800 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.985 -14.703 -18.313 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.873 -16.040 -18.532 1.00 0.00 H new ATOM 332 N GLU A 24 17.662 -15.343 -15.464 1.00 0.00 N ATOM 333 CA GLU A 24 18.794 -14.427 -15.377 1.00 0.00 C ATOM 334 C GLU A 24 20.109 -15.195 -15.281 1.00 0.00 C ATOM 335 O GLU A 24 21.116 -14.796 -15.865 1.00 0.00 O ATOM 336 CB GLU A 24 18.640 -13.504 -14.166 1.00 0.00 C ATOM 337 CG GLU A 24 18.064 -12.141 -14.509 1.00 0.00 C ATOM 338 CD GLU A 24 19.073 -11.022 -14.338 1.00 0.00 C ATOM 339 OE1 GLU A 24 19.415 -10.704 -13.180 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.519 -10.463 -15.362 1.00 0.00 O ATOM 0 H GLU A 24 17.391 -15.765 -14.576 1.00 0.00 H new ATOM 0 HA GLU A 24 18.811 -13.824 -16.285 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.996 -13.987 -13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.614 -13.370 -13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.708 -12.150 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.199 -11.946 -13.875 1.00 0.00 H new ATOM 347 N ASN A 25 20.091 -16.298 -14.541 1.00 0.00 N ATOM 348 CA ASN A 25 21.282 -17.122 -14.367 1.00 0.00 C ATOM 349 C ASN A 25 21.556 -17.951 -15.618 1.00 0.00 C ATOM 350 O ASN A 25 20.651 -18.575 -16.172 1.00 0.00 O ATOM 351 CB ASN A 25 21.118 -18.043 -13.156 1.00 0.00 C ATOM 352 CG ASN A 25 22.078 -19.216 -13.188 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.072 -19.199 -13.915 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.784 -20.243 -12.399 1.00 0.00 N ATOM 0 H ASN A 25 19.265 -16.642 -14.052 1.00 0.00 H new ATOM 0 HA ASN A 25 22.131 -16.460 -14.198 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.279 -17.470 -12.243 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.094 -18.416 -13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.393 -21.061 -12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.950 -20.214 -11.813 1.00 0.00 H new ATOM 361 N CYS A 26 22.811 -17.953 -16.055 1.00 0.00 N ATOM 362 CA CYS A 26 23.205 -18.706 -17.241 1.00 0.00 C ATOM 363 C CYS A 26 24.202 -19.803 -16.881 1.00 0.00 C ATOM 364 O CYS A 26 25.413 -19.607 -16.964 1.00 0.00 O ATOM 365 CB CYS A 26 23.814 -17.770 -18.285 1.00 0.00 C ATOM 366 SG CYS A 26 23.779 -18.422 -19.971 1.00 0.00 S ATOM 0 H CYS A 26 23.572 -17.443 -15.607 1.00 0.00 H new ATOM 0 HA CYS A 26 22.313 -19.173 -17.658 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.278 -16.821 -18.263 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.847 -17.559 -18.010 1.00 0.00 H new ATOM 0 HG CYS A 26 24.314 -17.558 -20.782 1.00 0.00 H new ATOM 372 N GLY A 27 23.682 -20.960 -16.480 1.00 0.00 N ATOM 373 CA GLY A 27 24.540 -22.071 -16.112 1.00 0.00 C ATOM 374 C GLY A 27 25.697 -21.643 -15.231 1.00 0.00 C ATOM 375 O GLY A 27 26.830 -22.085 -15.425 1.00 0.00 O ATOM 0 H GLY A 27 22.682 -21.147 -16.404 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.950 -22.825 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 27 24.929 -22.540 -17.016 1.00 0.00 H new ATOM 379 N ILE A 28 25.413 -20.779 -14.263 1.00 0.00 N ATOM 380 CA ILE A 28 26.440 -20.291 -13.350 1.00 0.00 C ATOM 381 C ILE A 28 26.435 -21.079 -12.045 1.00 0.00 C ATOM 382 O ILE A 28 27.466 -21.215 -11.385 1.00 0.00 O ATOM 383 CB ILE A 28 26.248 -18.796 -13.034 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.978 -18.011 -14.320 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.471 -18.244 -12.317 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.489 -16.601 -14.075 1.00 0.00 C ATOM 0 H ILE A 28 24.481 -20.402 -14.090 1.00 0.00 H new ATOM 0 HA ILE A 28 27.398 -20.428 -13.851 1.00 0.00 H new ATOM 0 HB ILE A 28 25.386 -18.687 -12.376 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.893 -17.972 -14.911 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.237 -18.546 -14.914 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.320 -17.186 -12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.622 -18.787 -11.384 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.349 -18.362 -12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.318 -16.104 -15.030 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.557 -16.632 -13.510 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.239 -16.049 -13.508 1.00 0.00 H new ATOM 398 N LEU A 29 25.269 -21.599 -11.679 1.00 0.00 N ATOM 399 CA LEU A 29 25.129 -22.377 -10.453 1.00 0.00 C ATOM 400 C LEU A 29 24.308 -23.639 -10.699 1.00 0.00 C ATOM 401 O LEU A 29 23.722 -23.811 -11.767 1.00 0.00 O ATOM 402 CB LEU A 29 24.471 -21.532 -9.361 1.00 0.00 C ATOM 403 CG LEU A 29 25.186 -20.230 -8.997 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.191 -19.197 -8.493 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.265 -20.488 -7.955 1.00 0.00 C ATOM 0 H LEU A 29 24.406 -21.496 -12.214 1.00 0.00 H new ATOM 0 HA LEU A 29 26.125 -22.672 -10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.457 -21.290 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.386 -22.140 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 29 25.663 -19.836 -9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.718 -18.278 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.456 -18.991 -9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.685 -19.581 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.764 -19.551 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.811 -20.905 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.995 -21.193 -8.354 1.00 0.00 H new ATOM 417 N GLU A 30 24.270 -24.518 -9.702 1.00 0.00 N ATOM 418 CA GLU A 30 23.519 -25.763 -9.811 1.00 0.00 C ATOM 419 C GLU A 30 22.941 -26.170 -8.459 1.00 0.00 C ATOM 420 O GLU A 30 23.504 -25.854 -7.411 1.00 0.00 O ATOM 421 CB GLU A 30 24.415 -26.879 -10.352 1.00 0.00 C ATOM 422 CG GLU A 30 24.426 -26.970 -11.869 1.00 0.00 C ATOM 423 CD GLU A 30 23.717 -28.207 -12.384 1.00 0.00 C ATOM 424 OE1 GLU A 30 24.070 -29.320 -11.941 1.00 0.00 O ATOM 425 OE2 GLU A 30 22.810 -28.063 -13.230 1.00 0.00 O ATOM 0 H GLU A 30 24.750 -24.391 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 30 22.694 -25.600 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.434 -26.719 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.081 -27.832 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.950 -26.083 -12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.457 -26.974 -12.222 1.00 0.00 H new ATOM 432 N TRP A 31 21.815 -26.873 -8.491 1.00 0.00 N ATOM 433 CA TRP A 31 21.160 -27.324 -7.268 1.00 0.00 C ATOM 434 C TRP A 31 21.545 -28.762 -6.942 1.00 0.00 C ATOM 435 O TRP A 31 21.226 -29.684 -7.692 1.00 0.00 O ATOM 436 CB TRP A 31 19.641 -27.208 -7.406 1.00 0.00 C ATOM 437 CG TRP A 31 19.098 -25.900 -6.916 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.340 -25.011 -7.623 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.272 -25.335 -5.612 1.00 0.00 C ATOM 440 NE1 TRP A 31 18.033 -23.926 -6.837 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.592 -24.101 -5.599 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.935 -25.751 -4.454 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.559 -23.282 -4.473 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.900 -24.937 -3.338 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.216 -23.714 -3.354 1.00 0.00 C ATOM 0 H TRP A 31 21.336 -27.143 -9.350 1.00 0.00 H new ATOM 0 HA TRP A 31 21.493 -26.685 -6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.368 -27.337 -8.453 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.170 -28.019 -6.851 1.00 0.00 H new ATOM 0 HD1 TRP A 31 18.028 -25.141 -8.649 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.479 -23.121 -7.129 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.465 -26.692 -4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 18.033 -22.339 -4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.409 -25.249 -2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 31 19.208 -23.101 -2.465 1.00 0.00 H new ATOM 456 N GLU A 32 22.233 -28.947 -5.819 1.00 0.00 N ATOM 457 CA GLU A 32 22.661 -30.275 -5.396 1.00 0.00 C ATOM 458 C GLU A 32 21.581 -30.954 -4.559 1.00 0.00 C ATOM 459 O GLU A 32 21.362 -32.160 -4.670 1.00 0.00 O ATOM 460 CB GLU A 32 23.962 -30.184 -4.595 1.00 0.00 C ATOM 461 CG GLU A 32 25.203 -30.501 -5.411 1.00 0.00 C ATOM 462 CD GLU A 32 25.334 -31.980 -5.722 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.092 -32.801 -4.813 1.00 0.00 O ATOM 464 OE2 GLU A 32 25.679 -32.316 -6.875 1.00 0.00 O ATOM 0 H GLU A 32 22.505 -28.194 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 32 22.834 -30.875 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.055 -29.179 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 32 23.908 -30.871 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.173 -29.938 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.086 -30.168 -4.866 1.00 0.00 H new ATOM 471 N ASP A 33 20.911 -30.171 -3.721 1.00 0.00 N ATOM 472 CA ASP A 33 19.854 -30.695 -2.864 1.00 0.00 C ATOM 473 C ASP A 33 19.021 -29.562 -2.273 1.00 0.00 C ATOM 474 O ASP A 33 19.254 -29.132 -1.143 1.00 0.00 O ATOM 475 CB ASP A 33 20.451 -31.545 -1.742 1.00 0.00 C ATOM 476 CG ASP A 33 20.273 -33.031 -1.983 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.113 -33.480 -2.087 1.00 0.00 O ATOM 478 OD2 ASP A 33 21.295 -33.745 -2.068 1.00 0.00 O ATOM 0 H ASP A 33 21.081 -29.171 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 33 19.202 -31.320 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.513 -31.320 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 33 19.981 -31.275 -0.796 1.00 0.00 H new ATOM 483 N ARG A 34 18.051 -29.082 -3.044 1.00 0.00 N ATOM 484 CA ARG A 34 17.186 -27.997 -2.598 1.00 0.00 C ATOM 485 C ARG A 34 16.842 -28.150 -1.119 1.00 0.00 C ATOM 486 O ARG A 34 16.949 -27.198 -0.346 1.00 0.00 O ATOM 487 CB ARG A 34 15.903 -27.964 -3.430 1.00 0.00 C ATOM 488 CG ARG A 34 16.120 -27.518 -4.866 1.00 0.00 C ATOM 489 CD ARG A 34 16.462 -26.038 -4.945 1.00 0.00 C ATOM 490 NE ARG A 34 15.294 -25.193 -4.710 1.00 0.00 N ATOM 491 CZ ARG A 34 14.925 -24.768 -3.507 1.00 0.00 C ATOM 492 NH1 ARG A 34 15.629 -25.106 -2.435 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.850 -24.001 -3.374 1.00 0.00 N ATOM 0 H ARG A 34 17.844 -29.428 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 34 17.723 -27.058 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.455 -28.958 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.188 -27.293 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.925 -28.103 -5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.221 -27.716 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.232 -25.804 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.880 -25.814 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 34 14.731 -24.914 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.457 -25.694 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.343 -24.778 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.307 -23.738 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.567 -23.675 -2.450 1.00 0.00 H new ATOM 507 N GLU A 35 16.428 -29.353 -0.734 1.00 0.00 N ATOM 508 CA GLU A 35 16.067 -29.629 0.652 1.00 0.00 C ATOM 509 C GLU A 35 17.129 -29.093 1.608 1.00 0.00 C ATOM 510 O GLU A 35 16.827 -28.323 2.518 1.00 0.00 O ATOM 511 CB GLU A 35 15.884 -31.133 0.865 1.00 0.00 C ATOM 512 CG GLU A 35 17.085 -31.958 0.435 1.00 0.00 C ATOM 513 CD GLU A 35 16.720 -33.394 0.110 1.00 0.00 C ATOM 514 OE1 GLU A 35 15.601 -33.621 -0.395 1.00 0.00 O ATOM 515 OE2 GLU A 35 17.553 -34.290 0.362 1.00 0.00 O ATOM 0 H GLU A 35 16.334 -30.152 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 35 15.125 -29.123 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.684 -31.320 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.007 -31.466 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.544 -31.497 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.831 -31.948 1.229 1.00 0.00 H new ATOM 522 N GLN A 36 18.373 -29.509 1.393 1.00 0.00 N ATOM 523 CA GLN A 36 19.480 -29.072 2.236 1.00 0.00 C ATOM 524 C GLN A 36 19.923 -27.661 1.865 1.00 0.00 C ATOM 525 O GLN A 36 20.622 -26.998 2.630 1.00 0.00 O ATOM 526 CB GLN A 36 20.658 -30.039 2.108 1.00 0.00 C ATOM 527 CG GLN A 36 20.248 -31.503 2.130 1.00 0.00 C ATOM 528 CD GLN A 36 21.396 -32.425 2.492 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.083 -32.954 1.618 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.610 -32.622 3.788 1.00 0.00 N ATOM 0 H GLN A 36 18.639 -30.147 0.643 1.00 0.00 H new ATOM 0 HA GLN A 36 19.135 -29.065 3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.188 -29.832 1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.359 -29.854 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.438 -31.639 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.858 -31.782 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.016 -32.163 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.369 -33.232 4.093 1.00 0.00 H new ATOM 539 N GLY A 37 19.512 -27.208 0.684 1.00 0.00 N ATOM 540 CA GLY A 37 19.876 -25.878 0.232 1.00 0.00 C ATOM 541 C GLY A 37 21.293 -25.815 -0.301 1.00 0.00 C ATOM 542 O GLY A 37 21.875 -24.735 -0.411 1.00 0.00 O ATOM 0 H GLY A 37 18.934 -27.739 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.183 -25.560 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.770 -25.175 1.058 1.00 0.00 H new ATOM 546 N ILE A 38 21.851 -26.975 -0.633 1.00 0.00 N ATOM 547 CA ILE A 38 23.209 -27.047 -1.158 1.00 0.00 C ATOM 548 C ILE A 38 23.237 -26.748 -2.653 1.00 0.00 C ATOM 549 O ILE A 38 22.430 -27.277 -3.418 1.00 0.00 O ATOM 550 CB ILE A 38 23.835 -28.432 -0.910 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.792 -28.776 0.581 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.266 -28.465 -1.425 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.918 -30.256 0.863 1.00 0.00 C ATOM 0 H ILE A 38 21.383 -27.877 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 38 23.793 -26.294 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 38 23.256 -29.179 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.597 -28.247 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 38 22.855 -28.412 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.696 -29.450 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.272 -28.259 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.857 -27.710 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.880 -30.426 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.098 -30.789 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.867 -30.621 0.472 1.00 0.00 H new ATOM 565 N PHE A 39 24.173 -25.899 -3.064 1.00 0.00 N ATOM 566 CA PHE A 39 24.308 -25.531 -4.468 1.00 0.00 C ATOM 567 C PHE A 39 25.776 -25.503 -4.884 1.00 0.00 C ATOM 568 O PHE A 39 26.664 -25.302 -4.056 1.00 0.00 O ATOM 569 CB PHE A 39 23.668 -24.165 -4.723 1.00 0.00 C ATOM 570 CG PHE A 39 24.426 -23.024 -4.106 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.332 -22.766 -2.748 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.232 -22.209 -4.885 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.028 -21.716 -2.179 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.930 -21.158 -4.321 1.00 0.00 C ATOM 575 CZ PHE A 39 25.829 -20.912 -2.966 1.00 0.00 C ATOM 0 H PHE A 39 24.849 -25.453 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 39 23.793 -26.283 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.594 -24.002 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.651 -24.170 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.708 -23.392 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.316 -22.397 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.945 -21.524 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.554 -20.530 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.375 -20.093 -2.523 1.00 0.00 H new ATOM 585 N ARG A 40 26.023 -25.708 -6.174 1.00 0.00 N ATOM 586 CA ARG A 40 27.382 -25.708 -6.701 1.00 0.00 C ATOM 587 C ARG A 40 27.595 -24.539 -7.658 1.00 0.00 C ATOM 588 O ARG A 40 26.703 -24.184 -8.429 1.00 0.00 O ATOM 589 CB ARG A 40 27.674 -27.028 -7.419 1.00 0.00 C ATOM 590 CG ARG A 40 28.887 -26.969 -8.332 1.00 0.00 C ATOM 591 CD ARG A 40 28.953 -28.181 -9.248 1.00 0.00 C ATOM 592 NE ARG A 40 29.850 -27.963 -10.380 1.00 0.00 N ATOM 593 CZ ARG A 40 30.369 -28.947 -11.107 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.081 -30.209 -10.821 1.00 0.00 N ATOM 595 NH2 ARG A 40 31.178 -28.668 -12.121 1.00 0.00 N ATOM 0 H ARG A 40 25.300 -25.876 -6.873 1.00 0.00 H new ATOM 0 HA ARG A 40 28.069 -25.598 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.827 -27.810 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.801 -27.313 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 40 28.849 -26.060 -8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.794 -26.916 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.291 -29.047 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.954 -28.412 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 40 30.091 -27.003 -10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.460 -30.426 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.480 -30.963 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.402 -27.698 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.576 -29.424 -12.679 1.00 0.00 H new ATOM 609 N VAL A 41 28.782 -23.943 -7.602 1.00 0.00 N ATOM 610 CA VAL A 41 29.112 -22.815 -8.464 1.00 0.00 C ATOM 611 C VAL A 41 29.826 -23.279 -9.728 1.00 0.00 C ATOM 612 O VAL A 41 31.056 -23.288 -9.792 1.00 0.00 O ATOM 613 CB VAL A 41 30.001 -21.791 -7.732 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.278 -20.590 -8.623 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.350 -21.358 -6.427 1.00 0.00 C ATOM 0 H VAL A 41 29.531 -24.223 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 41 28.170 -22.339 -8.737 1.00 0.00 H new ATOM 0 HB VAL A 41 30.954 -22.266 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 41 30.907 -19.878 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.789 -20.918 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.336 -20.112 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 41 29.991 -20.635 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.383 -20.901 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.209 -22.227 -5.785 1.00 0.00 H new ATOM 625 N VAL A 42 29.047 -23.664 -10.734 1.00 0.00 N ATOM 626 CA VAL A 42 29.604 -24.128 -11.998 1.00 0.00 C ATOM 627 C VAL A 42 30.601 -23.122 -12.562 1.00 0.00 C ATOM 628 O VAL A 42 31.730 -23.474 -12.905 1.00 0.00 O ATOM 629 CB VAL A 42 28.499 -24.378 -13.041 1.00 0.00 C ATOM 630 CG1 VAL A 42 29.100 -24.858 -14.353 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.485 -25.382 -12.512 1.00 0.00 C ATOM 0 H VAL A 42 28.028 -23.663 -10.697 1.00 0.00 H new ATOM 0 HA VAL A 42 30.117 -25.067 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 42 27.982 -23.437 -13.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.303 -25.029 -15.077 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.784 -24.102 -14.738 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.644 -25.788 -14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.711 -25.547 -13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.986 -26.325 -12.294 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.030 -24.994 -11.601 1.00 0.00 H new ATOM 641 N LYS A 43 30.177 -21.866 -12.655 1.00 0.00 N ATOM 642 CA LYS A 43 31.032 -20.806 -13.176 1.00 0.00 C ATOM 643 C LYS A 43 31.475 -19.867 -12.058 1.00 0.00 C ATOM 644 O LYS A 43 30.716 -19.001 -11.624 1.00 0.00 O ATOM 645 CB LYS A 43 30.295 -20.014 -14.259 1.00 0.00 C ATOM 646 CG LYS A 43 30.032 -20.814 -15.523 1.00 0.00 C ATOM 647 CD LYS A 43 29.081 -20.083 -16.457 1.00 0.00 C ATOM 648 CE LYS A 43 28.844 -20.869 -17.737 1.00 0.00 C ATOM 649 NZ LYS A 43 29.854 -20.544 -18.783 1.00 0.00 N ATOM 0 H LYS A 43 29.246 -21.557 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 43 31.918 -21.268 -13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.345 -19.662 -13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.880 -19.130 -14.513 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.974 -21.004 -16.037 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.611 -21.784 -15.260 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.130 -19.914 -15.951 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.491 -19.103 -16.701 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.877 -21.936 -17.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.845 -20.652 -18.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.658 -21.100 -19.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.805 -19.530 -19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.805 -20.775 -18.431 1.00 0.00 H new ATOM 663 N SER A 44 32.710 -20.043 -11.599 1.00 0.00 N ATOM 664 CA SER A 44 33.254 -19.213 -10.531 1.00 0.00 C ATOM 665 C SER A 44 33.665 -17.843 -11.063 1.00 0.00 C ATOM 666 O SER A 44 33.703 -16.863 -10.319 1.00 0.00 O ATOM 667 CB SER A 44 34.456 -19.902 -9.882 1.00 0.00 C ATOM 668 OG SER A 44 35.624 -19.734 -10.666 1.00 0.00 O ATOM 0 H SER A 44 33.353 -20.753 -11.950 1.00 0.00 H new ATOM 0 HA SER A 44 32.476 -19.074 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.621 -19.491 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.247 -20.965 -9.758 1.00 0.00 H new ATOM 0 HG SER A 44 36.378 -20.182 -10.229 1.00 0.00 H new ATOM 674 N GLU A 45 33.971 -17.785 -12.355 1.00 0.00 N ATOM 675 CA GLU A 45 34.380 -16.536 -12.987 1.00 0.00 C ATOM 676 C GLU A 45 33.166 -15.677 -13.330 1.00 0.00 C ATOM 677 O GLU A 45 33.209 -14.452 -13.221 1.00 0.00 O ATOM 678 CB GLU A 45 35.191 -16.820 -14.253 1.00 0.00 C ATOM 679 CG GLU A 45 34.370 -17.425 -15.379 1.00 0.00 C ATOM 680 CD GLU A 45 35.182 -18.355 -16.259 1.00 0.00 C ATOM 681 OE1 GLU A 45 35.967 -19.156 -15.711 1.00 0.00 O ATOM 682 OE2 GLU A 45 35.031 -18.282 -17.496 1.00 0.00 O ATOM 0 H GLU A 45 33.944 -18.587 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 45 35.004 -15.989 -12.280 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.641 -15.891 -14.602 1.00 0.00 H new ATOM 0 HB3 GLU A 45 36.009 -17.497 -14.006 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.529 -17.974 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.953 -16.625 -15.990 1.00 0.00 H new ATOM 689 N ALA A 46 32.085 -16.329 -13.745 1.00 0.00 N ATOM 690 CA ALA A 46 30.860 -15.626 -14.103 1.00 0.00 C ATOM 691 C ALA A 46 30.108 -15.166 -12.859 1.00 0.00 C ATOM 692 O ALA A 46 29.516 -14.085 -12.843 1.00 0.00 O ATOM 693 CB ALA A 46 29.971 -16.517 -14.960 1.00 0.00 C ATOM 0 H ALA A 46 32.033 -17.343 -13.841 1.00 0.00 H new ATOM 0 HA ALA A 46 31.133 -14.742 -14.679 1.00 0.00 H new ATOM 0 HB1 ALA A 46 29.059 -15.979 -15.220 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.502 -16.793 -15.871 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.714 -17.418 -14.403 1.00 0.00 H new ATOM 699 N LEU A 47 30.133 -15.992 -11.819 1.00 0.00 N ATOM 700 CA LEU A 47 29.453 -15.669 -10.569 1.00 0.00 C ATOM 701 C LEU A 47 29.913 -14.318 -10.032 1.00 0.00 C ATOM 702 O LEU A 47 29.098 -13.492 -9.620 1.00 0.00 O ATOM 703 CB LEU A 47 29.712 -16.760 -9.528 1.00 0.00 C ATOM 704 CG LEU A 47 29.383 -16.397 -8.080 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.923 -15.995 -7.948 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.704 -17.560 -7.153 1.00 0.00 C ATOM 0 H LEU A 47 30.617 -16.890 -11.816 1.00 0.00 H new ATOM 0 HA LEU A 47 28.383 -15.614 -10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.131 -17.641 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.763 -17.043 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 47 30.000 -15.546 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.708 -15.740 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.725 -15.131 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.288 -16.825 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.464 -17.284 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.114 -18.430 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.765 -17.801 -7.225 1.00 0.00 H new ATOM 718 N ALA A 48 31.223 -14.098 -10.040 1.00 0.00 N ATOM 719 CA ALA A 48 31.792 -12.846 -9.558 1.00 0.00 C ATOM 720 C ALA A 48 31.528 -11.709 -10.540 1.00 0.00 C ATOM 721 O ALA A 48 31.070 -10.634 -10.153 1.00 0.00 O ATOM 722 CB ALA A 48 33.286 -13.002 -9.317 1.00 0.00 C ATOM 0 H ALA A 48 31.911 -14.772 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 48 31.308 -12.596 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.697 -12.059 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.455 -13.779 -8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.778 -13.280 -10.249 1.00 0.00 H new ATOM 728 N LYS A 49 31.821 -11.954 -11.813 1.00 0.00 N ATOM 729 CA LYS A 49 31.616 -10.951 -12.852 1.00 0.00 C ATOM 730 C LYS A 49 30.219 -10.346 -12.755 1.00 0.00 C ATOM 731 O LYS A 49 30.054 -9.129 -12.828 1.00 0.00 O ATOM 732 CB LYS A 49 31.820 -11.572 -14.236 1.00 0.00 C ATOM 733 CG LYS A 49 32.911 -10.899 -15.049 1.00 0.00 C ATOM 734 CD LYS A 49 33.143 -11.614 -16.370 1.00 0.00 C ATOM 735 CE LYS A 49 34.417 -11.133 -17.048 1.00 0.00 C ATOM 736 NZ LYS A 49 34.931 -12.126 -18.031 1.00 0.00 N ATOM 0 H LYS A 49 32.201 -12.838 -12.150 1.00 0.00 H new ATOM 0 HA LYS A 49 32.348 -10.157 -12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 49 32.065 -12.628 -14.119 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.882 -11.521 -14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.637 -9.861 -15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.837 -10.884 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.205 -12.688 -16.197 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.292 -11.446 -17.030 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.224 -10.187 -17.554 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.180 -10.941 -16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 35.800 -11.761 -18.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 35.139 -13.021 -17.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 34.213 -12.291 -18.766 1.00 0.00 H new ATOM 750 N MET A 50 29.218 -11.203 -12.590 1.00 0.00 N ATOM 751 CA MET A 50 27.835 -10.752 -12.481 1.00 0.00 C ATOM 752 C MET A 50 27.616 -9.983 -11.182 1.00 0.00 C ATOM 753 O MET A 50 26.986 -8.925 -11.175 1.00 0.00 O ATOM 754 CB MET A 50 26.880 -11.944 -12.549 1.00 0.00 C ATOM 755 CG MET A 50 26.442 -12.292 -13.963 1.00 0.00 C ATOM 756 SD MET A 50 24.768 -11.732 -14.330 1.00 0.00 S ATOM 757 CE MET A 50 23.818 -12.732 -13.188 1.00 0.00 C ATOM 0 H MET A 50 29.338 -12.214 -12.529 1.00 0.00 H new ATOM 0 HA MET A 50 27.630 -10.084 -13.318 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.364 -12.813 -12.103 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.998 -11.727 -11.947 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.135 -11.843 -14.675 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.498 -13.372 -14.101 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.931 -13.116 -13.692 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.428 -13.566 -12.840 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.516 -12.123 -12.336 1.00 0.00 H new ATOM 767 N TRP A 51 28.139 -10.521 -10.086 1.00 0.00 N ATOM 768 CA TRP A 51 27.999 -9.884 -8.781 1.00 0.00 C ATOM 769 C TRP A 51 28.530 -8.456 -8.813 1.00 0.00 C ATOM 770 O TRP A 51 27.837 -7.517 -8.424 1.00 0.00 O ATOM 771 CB TRP A 51 28.739 -10.693 -7.715 1.00 0.00 C ATOM 772 CG TRP A 51 28.755 -10.030 -6.371 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.846 -9.799 -5.584 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.626 -9.516 -5.656 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.464 -9.171 -4.423 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.107 -8.985 -4.443 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.256 -9.450 -5.923 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.266 -8.399 -3.501 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.422 -8.868 -4.987 1.00 0.00 C ATOM 780 CH2 TRP A 51 25.929 -8.348 -3.789 1.00 0.00 C ATOM 0 H TRP A 51 28.663 -11.396 -10.075 1.00 0.00 H new ATOM 0 HA TRP A 51 26.938 -9.851 -8.531 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.271 -11.673 -7.623 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.765 -10.859 -8.042 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.860 -10.070 -5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.090 -8.889 -3.668 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.856 -9.847 -6.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.655 -7.999 -2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.361 -8.813 -5.183 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.251 -7.898 -3.079 1.00 0.00 H new ATOM 791 N GLY A 52 29.766 -8.298 -9.278 1.00 0.00 N ATOM 792 CA GLY A 52 30.368 -6.980 -9.352 1.00 0.00 C ATOM 793 C GLY A 52 29.441 -5.952 -9.969 1.00 0.00 C ATOM 794 O GLY A 52 29.283 -4.852 -9.439 1.00 0.00 O ATOM 0 H GLY A 52 30.361 -9.060 -9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.649 -6.656 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.285 -7.036 -9.938 1.00 0.00 H new ATOM 798 N GLN A 53 28.827 -6.310 -11.093 1.00 0.00 N ATOM 799 CA GLN A 53 27.913 -5.408 -11.784 1.00 0.00 C ATOM 800 C GLN A 53 26.842 -4.885 -10.832 1.00 0.00 C ATOM 801 O GLN A 53 26.361 -3.762 -10.981 1.00 0.00 O ATOM 802 CB GLN A 53 27.256 -6.122 -12.967 1.00 0.00 C ATOM 803 CG GLN A 53 28.185 -6.309 -14.156 1.00 0.00 C ATOM 804 CD GLN A 53 27.661 -5.648 -15.415 1.00 0.00 C ATOM 805 OE1 GLN A 53 26.920 -4.666 -15.352 1.00 0.00 O ATOM 806 NE2 GLN A 53 28.043 -6.183 -16.568 1.00 0.00 N ATOM 0 H GLN A 53 28.946 -7.217 -11.544 1.00 0.00 H new ATOM 0 HA GLN A 53 28.489 -4.560 -12.155 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.898 -7.098 -12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.382 -5.553 -13.285 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.165 -5.897 -13.915 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.323 -7.374 -14.340 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.658 -6.997 -16.574 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.722 -5.780 -17.448 1.00 0.00 H new ATOM 815 N ARG A 54 26.473 -5.707 -9.855 1.00 0.00 N ATOM 816 CA ARG A 54 25.457 -5.328 -8.880 1.00 0.00 C ATOM 817 C ARG A 54 26.022 -4.340 -7.863 1.00 0.00 C ATOM 818 O ARG A 54 25.325 -3.432 -7.410 1.00 0.00 O ATOM 819 CB ARG A 54 24.922 -6.567 -8.161 1.00 0.00 C ATOM 820 CG ARG A 54 24.796 -7.786 -9.060 1.00 0.00 C ATOM 821 CD ARG A 54 23.951 -7.487 -10.289 1.00 0.00 C ATOM 822 NE ARG A 54 22.568 -7.925 -10.122 1.00 0.00 N ATOM 823 CZ ARG A 54 21.637 -7.793 -11.061 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.940 -7.237 -12.226 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.400 -8.217 -10.834 1.00 0.00 N ATOM 0 H ARG A 54 26.862 -6.640 -9.718 1.00 0.00 H new ATOM 0 HA ARG A 54 24.639 -4.845 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.583 -6.807 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.945 -6.337 -7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.788 -8.115 -9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.348 -8.607 -8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.970 -6.416 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.386 -7.982 -11.157 1.00 0.00 H new ATOM 0 HE ARG A 54 22.302 -8.356 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.890 -6.909 -12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.224 -7.137 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.164 -8.644 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.686 -8.115 -11.555 1.00 0.00 H new ATOM 839 N LYS A 55 27.289 -4.525 -7.508 1.00 0.00 N ATOM 840 CA LYS A 55 27.949 -3.651 -6.545 1.00 0.00 C ATOM 841 C LYS A 55 28.802 -2.605 -7.256 1.00 0.00 C ATOM 842 O LYS A 55 29.592 -1.900 -6.626 1.00 0.00 O ATOM 843 CB LYS A 55 28.820 -4.473 -5.592 1.00 0.00 C ATOM 844 CG LYS A 55 28.026 -5.404 -4.693 1.00 0.00 C ATOM 845 CD LYS A 55 28.098 -4.971 -3.238 1.00 0.00 C ATOM 846 CE LYS A 55 26.758 -5.140 -2.539 1.00 0.00 C ATOM 847 NZ LYS A 55 26.870 -5.998 -1.327 1.00 0.00 N ATOM 0 H LYS A 55 27.879 -5.272 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 55 27.178 -3.137 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.527 -5.062 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.406 -3.794 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 55 26.985 -5.424 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.409 -6.420 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.856 -5.558 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.409 -3.928 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.369 -4.161 -2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.040 -5.581 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.215 -5.653 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 26.629 -6.979 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.844 -5.961 -0.964 1.00 0.00 H new ATOM 861 N LYS A 56 28.637 -2.507 -8.570 1.00 0.00 N ATOM 862 CA LYS A 56 29.390 -1.545 -9.367 1.00 0.00 C ATOM 863 C LYS A 56 30.890 -1.705 -9.139 1.00 0.00 C ATOM 864 O LYS A 56 31.644 -0.735 -9.209 1.00 0.00 O ATOM 865 CB LYS A 56 28.959 -0.118 -9.021 1.00 0.00 C ATOM 866 CG LYS A 56 27.768 0.370 -9.828 1.00 0.00 C ATOM 867 CD LYS A 56 28.121 1.592 -10.660 1.00 0.00 C ATOM 868 CE LYS A 56 28.780 1.200 -11.973 1.00 0.00 C ATOM 869 NZ LYS A 56 29.269 2.390 -12.725 1.00 0.00 N ATOM 0 H LYS A 56 27.988 -3.082 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 56 29.179 -1.737 -10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.713 -0.069 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.799 0.556 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.419 -0.429 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 56 26.946 0.612 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 56 27.219 2.169 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.792 2.238 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 56 29.615 0.528 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 56 28.067 0.650 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 29.712 2.081 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 28.469 3.019 -12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 29.968 2.901 -12.149 1.00 0.00 H new ATOM 883 N ASN A 57 31.315 -2.934 -8.866 1.00 0.00 N ATOM 884 CA ASN A 57 32.725 -3.220 -8.628 1.00 0.00 C ATOM 885 C ASN A 57 33.395 -3.745 -9.895 1.00 0.00 C ATOM 886 O ASN A 57 33.478 -4.955 -10.108 1.00 0.00 O ATOM 887 CB ASN A 57 32.877 -4.238 -7.497 1.00 0.00 C ATOM 888 CG ASN A 57 34.324 -4.625 -7.258 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.165 -4.509 -8.149 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.620 -5.088 -6.049 1.00 0.00 N ATOM 0 H ASN A 57 30.703 -3.748 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 57 33.215 -2.290 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.458 -3.823 -6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.300 -5.131 -7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.577 -5.364 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.890 -5.167 -5.341 1.00 0.00 H new ATOM 897 N ASP A 58 33.870 -2.828 -10.730 1.00 0.00 N ATOM 898 CA ASP A 58 34.534 -3.199 -11.974 1.00 0.00 C ATOM 899 C ASP A 58 35.708 -4.135 -11.706 1.00 0.00 C ATOM 900 O ASP A 58 36.169 -4.841 -12.603 1.00 0.00 O ATOM 901 CB ASP A 58 35.020 -1.949 -12.710 1.00 0.00 C ATOM 902 CG ASP A 58 33.924 -1.298 -13.531 1.00 0.00 C ATOM 903 OD1 ASP A 58 33.764 -1.674 -14.711 1.00 0.00 O ATOM 904 OD2 ASP A 58 33.228 -0.411 -12.994 1.00 0.00 O ATOM 0 H ASP A 58 33.808 -1.823 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 58 33.811 -3.722 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.403 -1.230 -11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.850 -2.216 -13.364 1.00 0.00 H new ATOM 909 N ARG A 59 36.188 -4.134 -10.467 1.00 0.00 N ATOM 910 CA ARG A 59 37.310 -4.982 -10.081 1.00 0.00 C ATOM 911 C ARG A 59 36.828 -6.193 -9.288 1.00 0.00 C ATOM 912 O ARG A 59 37.557 -6.731 -8.455 1.00 0.00 O ATOM 913 CB ARG A 59 38.318 -4.184 -9.252 1.00 0.00 C ATOM 914 CG ARG A 59 37.730 -3.596 -7.980 1.00 0.00 C ATOM 915 CD ARG A 59 38.726 -2.689 -7.274 1.00 0.00 C ATOM 916 NE ARG A 59 38.172 -1.362 -7.017 1.00 0.00 N ATOM 917 CZ ARG A 59 38.828 -0.403 -6.374 1.00 0.00 C ATOM 918 NH1 ARG A 59 40.056 -0.622 -5.925 1.00 0.00 N ATOM 919 NH2 ARG A 59 38.257 0.778 -6.180 1.00 0.00 N ATOM 0 H ARG A 59 35.818 -3.556 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 59 37.796 -5.335 -10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 59 39.154 -4.832 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.720 -3.376 -9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 59 36.829 -3.031 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.431 -4.402 -7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 59 39.026 -3.145 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 59 39.625 -2.595 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 59 37.229 -1.161 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 59 40.499 -1.529 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 59 40.558 0.116 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 59 37.313 0.951 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 59 38.762 1.514 -5.686 1.00 0.00 H new ATOM 933 N MET A 60 35.597 -6.616 -9.553 1.00 0.00 N ATOM 934 CA MET A 60 35.019 -7.764 -8.864 1.00 0.00 C ATOM 935 C MET A 60 35.619 -9.068 -9.382 1.00 0.00 C ATOM 936 O MET A 60 35.742 -9.271 -10.590 1.00 0.00 O ATOM 937 CB MET A 60 33.499 -7.783 -9.045 1.00 0.00 C ATOM 938 CG MET A 60 32.818 -8.947 -8.344 1.00 0.00 C ATOM 939 SD MET A 60 33.502 -9.269 -6.707 1.00 0.00 S ATOM 940 CE MET A 60 32.569 -8.106 -5.716 1.00 0.00 C ATOM 0 H MET A 60 34.980 -6.182 -10.240 1.00 0.00 H new ATOM 0 HA MET A 60 35.251 -7.673 -7.803 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.085 -6.849 -8.666 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.269 -7.826 -10.110 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.752 -8.738 -8.253 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.916 -9.843 -8.957 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.223 -8.598 -4.807 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.205 -7.261 -5.452 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.710 -7.750 -6.285 1.00 0.00 H new ATOM 950 N THR A 61 35.992 -9.949 -8.459 1.00 0.00 N ATOM 951 CA THR A 61 36.581 -11.232 -8.822 1.00 0.00 C ATOM 952 C THR A 61 36.312 -12.284 -7.752 1.00 0.00 C ATOM 953 O THR A 61 36.299 -11.980 -6.559 1.00 0.00 O ATOM 954 CB THR A 61 38.102 -11.112 -9.035 1.00 0.00 C ATOM 955 OG1 THR A 61 38.674 -12.410 -9.229 1.00 0.00 O ATOM 956 CG2 THR A 61 38.764 -10.433 -7.845 1.00 0.00 C ATOM 0 H THR A 61 35.897 -9.797 -7.455 1.00 0.00 H new ATOM 0 HA THR A 61 36.113 -11.540 -9.757 1.00 0.00 H new ATOM 0 HB THR A 61 38.275 -10.503 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.641 -12.324 -9.365 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.838 -10.360 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.348 -9.434 -7.719 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.581 -11.019 -6.944 1.00 0.00 H new ATOM 964 N TYR A 62 36.096 -13.521 -8.186 1.00 0.00 N ATOM 965 CA TYR A 62 35.825 -14.617 -7.264 1.00 0.00 C ATOM 966 C TYR A 62 36.744 -14.547 -6.048 1.00 0.00 C ATOM 967 O TYR A 62 36.386 -14.994 -4.959 1.00 0.00 O ATOM 968 CB TYR A 62 35.999 -15.962 -7.972 1.00 0.00 C ATOM 969 CG TYR A 62 35.294 -17.106 -7.281 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.969 -16.990 -6.879 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.952 -18.304 -7.029 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.320 -18.033 -6.246 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.310 -19.352 -6.399 1.00 0.00 C ATOM 974 CZ TYR A 62 33.995 -19.212 -6.009 1.00 0.00 C ATOM 975 OH TYR A 62 33.353 -20.254 -5.379 1.00 0.00 O ATOM 0 H TYR A 62 36.103 -13.789 -9.170 1.00 0.00 H new ATOM 0 HA TYR A 62 34.794 -14.524 -6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.623 -15.878 -8.992 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.062 -16.191 -8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.437 -16.069 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.983 -18.417 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.290 -17.925 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.836 -20.277 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 62 33.634 -20.292 -4.441 1.00 0.00 H new ATOM 985 N GLU A 63 37.932 -13.983 -6.244 1.00 0.00 N ATOM 986 CA GLU A 63 38.903 -13.854 -5.164 1.00 0.00 C ATOM 987 C GLU A 63 38.375 -12.941 -4.063 1.00 0.00 C ATOM 988 O GLU A 63 38.507 -13.239 -2.875 1.00 0.00 O ATOM 989 CB GLU A 63 40.228 -13.309 -5.702 1.00 0.00 C ATOM 990 CG GLU A 63 41.414 -14.222 -5.440 1.00 0.00 C ATOM 991 CD GLU A 63 42.714 -13.660 -5.983 1.00 0.00 C ATOM 992 OE1 GLU A 63 43.308 -12.788 -5.316 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.136 -14.094 -7.075 1.00 0.00 O ATOM 0 H GLU A 63 38.245 -13.609 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 63 39.070 -14.844 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.135 -13.147 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.422 -12.337 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.513 -14.384 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.226 -15.195 -5.893 1.00 0.00 H new ATOM 1000 N LYS A 64 37.775 -11.825 -4.464 1.00 0.00 N ATOM 1001 CA LYS A 64 37.224 -10.867 -3.513 1.00 0.00 C ATOM 1002 C LYS A 64 35.810 -11.262 -3.099 1.00 0.00 C ATOM 1003 O LYS A 64 35.409 -11.060 -1.952 1.00 0.00 O ATOM 1004 CB LYS A 64 37.216 -9.462 -4.120 1.00 0.00 C ATOM 1005 CG LYS A 64 38.581 -8.998 -4.600 1.00 0.00 C ATOM 1006 CD LYS A 64 38.515 -7.607 -5.207 1.00 0.00 C ATOM 1007 CE LYS A 64 39.793 -7.267 -5.959 1.00 0.00 C ATOM 1008 NZ LYS A 64 40.934 -7.026 -5.032 1.00 0.00 N ATOM 0 H LYS A 64 37.658 -11.562 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 64 37.857 -10.869 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.519 -9.442 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.842 -8.757 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.281 -8.999 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.966 -9.701 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.664 -7.545 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.348 -6.872 -4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.043 -8.082 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.629 -6.380 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.786 -6.797 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.706 -6.232 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.107 -7.880 -4.465 1.00 0.00 H new ATOM 1022 N LEU A 65 35.060 -11.826 -4.039 1.00 0.00 N ATOM 1023 CA LEU A 65 33.690 -12.251 -3.772 1.00 0.00 C ATOM 1024 C LEU A 65 33.652 -13.300 -2.665 1.00 0.00 C ATOM 1025 O LEU A 65 32.761 -13.288 -1.816 1.00 0.00 O ATOM 1026 CB LEU A 65 33.051 -12.811 -5.043 1.00 0.00 C ATOM 1027 CG LEU A 65 31.676 -13.458 -4.875 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.834 -13.256 -6.125 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.819 -14.940 -4.560 1.00 0.00 C ATOM 0 H LEU A 65 35.377 -12.000 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 65 33.123 -11.380 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.963 -12.002 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.728 -13.550 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 65 31.169 -12.976 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.859 -13.723 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.703 -12.189 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.336 -13.710 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.830 -15.384 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.346 -15.436 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.383 -15.063 -3.635 1.00 0.00 H new ATOM 1041 N SER A 66 34.626 -14.204 -2.680 1.00 0.00 N ATOM 1042 CA SER A 66 34.703 -15.261 -1.678 1.00 0.00 C ATOM 1043 C SER A 66 34.717 -14.675 -0.270 1.00 0.00 C ATOM 1044 O SER A 66 34.182 -15.268 0.667 1.00 0.00 O ATOM 1045 CB SER A 66 35.953 -16.114 -1.901 1.00 0.00 C ATOM 1046 OG SER A 66 37.115 -15.306 -1.975 1.00 0.00 O ATOM 0 H SER A 66 35.373 -14.226 -3.375 1.00 0.00 H new ATOM 0 HA SER A 66 33.819 -15.891 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 66 36.057 -16.832 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.846 -16.688 -2.821 1.00 0.00 H new ATOM 0 HG SER A 66 37.195 -14.930 -2.876 1.00 0.00 H new ATOM 1052 N ARG A 67 35.335 -13.507 -0.128 1.00 0.00 N ATOM 1053 CA ARG A 67 35.421 -12.840 1.165 1.00 0.00 C ATOM 1054 C ARG A 67 34.097 -12.938 1.917 1.00 0.00 C ATOM 1055 O ARG A 67 34.072 -13.198 3.119 1.00 0.00 O ATOM 1056 CB ARG A 67 35.808 -11.371 0.981 1.00 0.00 C ATOM 1057 CG ARG A 67 34.616 -10.442 0.830 1.00 0.00 C ATOM 1058 CD ARG A 67 35.055 -9.002 0.618 1.00 0.00 C ATOM 1059 NE ARG A 67 34.127 -8.051 1.223 1.00 0.00 N ATOM 1060 CZ ARG A 67 33.899 -7.976 2.530 1.00 0.00 C ATOM 1061 NH1 ARG A 67 34.531 -8.791 3.363 1.00 0.00 N ATOM 1062 NH2 ARG A 67 33.040 -7.083 3.005 1.00 0.00 N ATOM 0 H ARG A 67 35.784 -13.003 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 67 36.191 -13.340 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.402 -11.050 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.443 -11.279 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.006 -10.765 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 67 33.989 -10.505 1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.048 -8.860 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.134 -8.801 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 67 33.626 -7.409 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 67 35.193 -9.477 3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 67 34.355 -8.732 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 67 32.554 -6.453 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 67 32.866 -7.026 4.008 1.00 0.00 H new ATOM 1076 N ALA A 68 32.999 -12.726 1.199 1.00 0.00 N ATOM 1077 CA ALA A 68 31.671 -12.792 1.798 1.00 0.00 C ATOM 1078 C ALA A 68 31.263 -14.235 2.071 1.00 0.00 C ATOM 1079 O ALA A 68 30.545 -14.517 3.032 1.00 0.00 O ATOM 1080 CB ALA A 68 30.651 -12.115 0.894 1.00 0.00 C ATOM 0 H ALA A 68 33.002 -12.507 0.203 1.00 0.00 H new ATOM 0 HA ALA A 68 31.703 -12.265 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.664 -12.171 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 68 30.927 -11.070 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.631 -12.618 -0.073 1.00 0.00 H new ATOM 1086 N LEU A 69 31.723 -15.146 1.221 1.00 0.00 N ATOM 1087 CA LEU A 69 31.405 -16.562 1.371 1.00 0.00 C ATOM 1088 C LEU A 69 32.054 -17.137 2.626 1.00 0.00 C ATOM 1089 O LEU A 69 31.507 -18.037 3.263 1.00 0.00 O ATOM 1090 CB LEU A 69 31.870 -17.343 0.140 1.00 0.00 C ATOM 1091 CG LEU A 69 31.433 -16.783 -1.214 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.912 -17.681 -2.343 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.920 -16.624 -1.262 1.00 0.00 C ATOM 0 H LEU A 69 32.317 -14.930 0.421 1.00 0.00 H new ATOM 0 HA LEU A 69 30.323 -16.657 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.959 -17.393 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.503 -18.366 0.223 1.00 0.00 H new ATOM 0 HG LEU A 69 31.886 -15.800 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.591 -17.266 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.000 -17.744 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.488 -18.678 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.627 -16.224 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.447 -17.594 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.601 -15.939 -0.476 1.00 0.00 H new ATOM 1105 N ARG A 70 33.222 -16.609 2.977 1.00 0.00 N ATOM 1106 CA ARG A 70 33.945 -17.068 4.156 1.00 0.00 C ATOM 1107 C ARG A 70 33.452 -16.351 5.410 1.00 0.00 C ATOM 1108 O ARG A 70 33.585 -16.861 6.522 1.00 0.00 O ATOM 1109 CB ARG A 70 35.447 -16.838 3.982 1.00 0.00 C ATOM 1110 CG ARG A 70 36.027 -17.510 2.748 1.00 0.00 C ATOM 1111 CD ARG A 70 36.775 -18.784 3.108 1.00 0.00 C ATOM 1112 NE ARG A 70 38.198 -18.692 2.794 1.00 0.00 N ATOM 1113 CZ ARG A 70 39.121 -19.486 3.324 1.00 0.00 C ATOM 1114 NH1 ARG A 70 38.772 -20.428 4.189 1.00 0.00 N ATOM 1115 NH2 ARG A 70 40.396 -19.340 2.988 1.00 0.00 N ATOM 0 H ARG A 70 33.688 -15.862 2.461 1.00 0.00 H new ATOM 0 HA ARG A 70 33.759 -18.136 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.638 -15.766 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.967 -17.208 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.225 -17.743 2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.702 -16.821 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.651 -18.988 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.339 -19.625 2.569 1.00 0.00 H new ATOM 0 HE ARG A 70 38.500 -17.978 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 70 37.793 -20.544 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 70 39.483 -21.037 4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.668 -18.617 2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 70 41.104 -19.951 3.396 1.00 0.00 H new ATOM 1129 N TYR A 71 32.882 -15.166 5.221 1.00 0.00 N ATOM 1130 CA TYR A 71 32.372 -14.377 6.337 1.00 0.00 C ATOM 1131 C TYR A 71 30.939 -14.777 6.676 1.00 0.00 C ATOM 1132 O TYR A 71 30.425 -14.440 7.743 1.00 0.00 O ATOM 1133 CB TYR A 71 32.432 -12.886 6.003 1.00 0.00 C ATOM 1134 CG TYR A 71 31.456 -12.048 6.799 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.627 -11.857 8.165 1.00 0.00 C ATOM 1136 CD2 TYR A 71 30.363 -11.448 6.185 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.738 -11.093 8.896 1.00 0.00 C ATOM 1138 CE2 TYR A 71 29.470 -10.682 6.908 1.00 0.00 C ATOM 1139 CZ TYR A 71 29.661 -10.507 8.263 1.00 0.00 C ATOM 1140 OH TYR A 71 28.773 -9.745 8.987 1.00 0.00 O ATOM 0 H TYR A 71 32.761 -14.731 4.306 1.00 0.00 H new ATOM 0 HA TYR A 71 33.000 -14.573 7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.443 -12.522 6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.231 -12.752 4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 71 32.469 -12.314 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.209 -11.583 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 71 30.885 -10.955 9.957 1.00 0.00 H new ATOM 0 HE2 TYR A 71 28.626 -10.222 6.415 1.00 0.00 H new ATOM 0 HH TYR A 71 28.073 -9.404 8.392 1.00 0.00 H new ATOM 1150 N TYR A 72 30.301 -15.499 5.761 1.00 0.00 N ATOM 1151 CA TYR A 72 28.927 -15.944 5.961 1.00 0.00 C ATOM 1152 C TYR A 72 28.877 -17.158 6.883 1.00 0.00 C ATOM 1153 O TYR A 72 27.807 -17.562 7.339 1.00 0.00 O ATOM 1154 CB TYR A 72 28.278 -16.283 4.618 1.00 0.00 C ATOM 1155 CG TYR A 72 27.827 -15.067 3.840 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.134 -14.037 4.464 1.00 0.00 C ATOM 1157 CD2 TYR A 72 28.093 -14.949 2.482 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.719 -12.925 3.757 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.684 -13.839 1.768 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.996 -12.831 2.410 1.00 0.00 C ATOM 1161 OH TYR A 72 26.585 -11.725 1.701 1.00 0.00 O ATOM 0 H TYR A 72 30.713 -15.788 4.874 1.00 0.00 H new ATOM 0 HA TYR A 72 28.373 -15.131 6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.987 -16.848 4.014 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.420 -16.932 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.916 -14.107 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.629 -15.738 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.180 -12.134 4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.902 -13.761 0.713 1.00 0.00 H new ATOM 0 HH TYR A 72 27.366 -11.274 1.317 1.00 0.00 H new ATOM 1171 N TYR A 73 30.042 -17.736 7.154 1.00 0.00 N ATOM 1172 CA TYR A 73 30.133 -18.905 8.020 1.00 0.00 C ATOM 1173 C TYR A 73 29.901 -18.522 9.479 1.00 0.00 C ATOM 1174 O TYR A 73 29.029 -19.076 10.148 1.00 0.00 O ATOM 1175 CB TYR A 73 31.500 -19.574 7.868 1.00 0.00 C ATOM 1176 CG TYR A 73 31.795 -20.035 6.459 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.783 -20.515 5.637 1.00 0.00 C ATOM 1178 CD2 TYR A 73 33.086 -19.988 5.948 1.00 0.00 C ATOM 1179 CE1 TYR A 73 31.048 -20.938 4.349 1.00 0.00 C ATOM 1180 CE2 TYR A 73 33.361 -20.407 4.660 1.00 0.00 C ATOM 1181 CZ TYR A 73 32.339 -20.881 3.865 1.00 0.00 C ATOM 1182 OH TYR A 73 32.607 -21.300 2.582 1.00 0.00 O ATOM 0 H TYR A 73 30.937 -17.414 6.786 1.00 0.00 H new ATOM 0 HA TYR A 73 29.356 -19.609 7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.275 -18.874 8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.553 -20.431 8.540 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.771 -20.558 6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.889 -19.618 6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 73 30.250 -21.311 3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 73 34.370 -20.363 4.278 1.00 0.00 H new ATOM 0 HH TYR A 73 33.563 -21.194 2.396 1.00 0.00 H new ATOM 1192 N LYS A 74 30.688 -17.569 9.965 1.00 0.00 N ATOM 1193 CA LYS A 74 30.570 -17.107 11.344 1.00 0.00 C ATOM 1194 C LYS A 74 29.155 -16.618 11.634 1.00 0.00 C ATOM 1195 O LYS A 74 28.592 -16.904 12.691 1.00 0.00 O ATOM 1196 CB LYS A 74 31.576 -15.986 11.616 1.00 0.00 C ATOM 1197 CG LYS A 74 31.620 -14.931 10.524 1.00 0.00 C ATOM 1198 CD LYS A 74 33.049 -14.583 10.143 1.00 0.00 C ATOM 1199 CE LYS A 74 33.654 -13.574 11.107 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.058 -13.920 11.463 1.00 0.00 N ATOM 0 H LYS A 74 31.415 -17.101 9.425 1.00 0.00 H new ATOM 0 HA LYS A 74 30.787 -17.948 12.003 1.00 0.00 H new ATOM 0 HB2 LYS A 74 31.326 -15.507 12.563 1.00 0.00 H new ATOM 0 HB3 LYS A 74 32.569 -16.420 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 74 31.086 -15.293 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 74 31.104 -14.033 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.655 -15.489 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.068 -14.178 9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 74 33.627 -12.581 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 74 33.050 -13.530 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 35.435 -13.209 12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.081 -14.856 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 35.640 -13.937 10.602 1.00 0.00 H new ATOM 1214 N THR A 75 28.584 -15.878 10.688 1.00 0.00 N ATOM 1215 CA THR A 75 27.235 -15.349 10.843 1.00 0.00 C ATOM 1216 C THR A 75 26.190 -16.443 10.656 1.00 0.00 C ATOM 1217 O THR A 75 25.040 -16.293 11.064 1.00 0.00 O ATOM 1218 CB THR A 75 26.958 -14.214 9.838 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.682 -14.762 8.545 1.00 0.00 O ATOM 1220 CG2 THR A 75 28.145 -13.267 9.751 1.00 0.00 C ATOM 0 H THR A 75 29.035 -15.632 9.807 1.00 0.00 H new ATOM 0 HA THR A 75 27.165 -14.953 11.856 1.00 0.00 H new ATOM 0 HB THR A 75 26.091 -13.653 10.187 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.820 -14.073 7.862 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.926 -12.474 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 75 28.334 -12.829 10.731 1.00 0.00 H new ATOM 0 HG23 THR A 75 29.027 -13.818 9.424 1.00 0.00 H new ATOM 1228 N GLY A 76 26.600 -17.547 10.037 1.00 0.00 N ATOM 1229 CA GLY A 76 25.686 -18.651 9.808 1.00 0.00 C ATOM 1230 C GLY A 76 25.013 -18.574 8.453 1.00 0.00 C ATOM 1231 O GLY A 76 24.399 -19.542 8.002 1.00 0.00 O ATOM 0 H GLY A 76 27.548 -17.696 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.231 -19.592 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.925 -18.657 10.588 1.00 0.00 H new ATOM 1235 N ILE A 77 25.125 -17.421 7.802 1.00 0.00 N ATOM 1236 CA ILE A 77 24.521 -17.223 6.491 1.00 0.00 C ATOM 1237 C ILE A 77 24.831 -18.391 5.560 1.00 0.00 C ATOM 1238 O ILE A 77 23.962 -18.857 4.822 1.00 0.00 O ATOM 1239 CB ILE A 77 25.011 -15.917 5.837 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.443 -14.705 6.580 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.614 -15.878 4.369 1.00 0.00 C ATOM 1242 CD1 ILE A 77 23.079 -14.279 6.086 1.00 0.00 C ATOM 0 H ILE A 77 25.629 -16.610 8.161 1.00 0.00 H new ATOM 0 HA ILE A 77 23.444 -17.161 6.646 1.00 0.00 H new ATOM 0 HB ILE A 77 26.099 -15.882 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.379 -14.938 7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 77 25.135 -13.869 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.967 -14.949 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.061 -16.725 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.529 -15.932 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.739 -13.415 6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.141 -14.015 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.373 -15.100 6.214 1.00 0.00 H new ATOM 1254 N LEU A 78 26.073 -18.860 5.602 1.00 0.00 N ATOM 1255 CA LEU A 78 26.498 -19.976 4.764 1.00 0.00 C ATOM 1256 C LEU A 78 26.899 -21.175 5.617 1.00 0.00 C ATOM 1257 O LEU A 78 27.018 -21.069 6.837 1.00 0.00 O ATOM 1258 CB LEU A 78 27.668 -19.554 3.874 1.00 0.00 C ATOM 1259 CG LEU A 78 27.298 -18.969 2.511 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.542 -18.492 1.779 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.547 -19.997 1.676 1.00 0.00 C ATOM 0 H LEU A 78 26.803 -18.485 6.207 1.00 0.00 H new ATOM 0 HA LEU A 78 25.657 -20.267 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.262 -18.817 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.307 -20.422 3.713 1.00 0.00 H new ATOM 0 HG LEU A 78 26.644 -18.111 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.259 -18.079 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 78 29.040 -17.723 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.221 -19.332 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.291 -19.564 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.177 -20.874 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.634 -20.290 2.195 1.00 0.00 H new ATOM 1273 N GLU A 79 27.108 -22.315 4.965 1.00 0.00 N ATOM 1274 CA GLU A 79 27.497 -23.534 5.664 1.00 0.00 C ATOM 1275 C GLU A 79 28.831 -24.059 5.141 1.00 0.00 C ATOM 1276 O GLU A 79 28.985 -24.311 3.946 1.00 0.00 O ATOM 1277 CB GLU A 79 26.417 -24.606 5.506 1.00 0.00 C ATOM 1278 CG GLU A 79 25.543 -24.775 6.737 1.00 0.00 C ATOM 1279 CD GLU A 79 25.990 -25.927 7.617 1.00 0.00 C ATOM 1280 OE1 GLU A 79 25.677 -27.087 7.280 1.00 0.00 O ATOM 1281 OE2 GLU A 79 26.652 -25.666 8.643 1.00 0.00 O ATOM 0 H GLU A 79 27.014 -22.419 3.955 1.00 0.00 H new ATOM 0 HA GLU A 79 27.610 -23.296 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.786 -24.351 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.894 -25.559 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.557 -23.853 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.511 -24.940 6.426 1.00 0.00 H new ATOM 1288 N ARG A 80 29.792 -24.220 6.044 1.00 0.00 N ATOM 1289 CA ARG A 80 31.113 -24.713 5.675 1.00 0.00 C ATOM 1290 C ARG A 80 31.018 -26.095 5.035 1.00 0.00 C ATOM 1291 O ARG A 80 30.526 -27.042 5.647 1.00 0.00 O ATOM 1292 CB ARG A 80 32.022 -24.770 6.904 1.00 0.00 C ATOM 1293 CG ARG A 80 33.500 -24.632 6.575 1.00 0.00 C ATOM 1294 CD ARG A 80 34.118 -23.436 7.282 1.00 0.00 C ATOM 1295 NE ARG A 80 35.522 -23.254 6.924 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.521 -23.905 7.509 1.00 0.00 C ATOM 1297 NH1 ARG A 80 36.271 -24.777 8.477 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.772 -23.685 7.128 1.00 0.00 N ATOM 0 H ARG A 80 29.680 -24.016 7.037 1.00 0.00 H new ATOM 0 HA ARG A 80 31.540 -24.023 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.736 -23.976 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.860 -25.716 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.026 -25.541 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.626 -24.524 5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.559 -22.536 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 80 34.033 -23.569 8.361 1.00 0.00 H new ATOM 0 HE ARG A 80 35.748 -22.590 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 80 35.310 -24.949 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 80 37.040 -25.276 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.968 -23.015 6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.538 -24.186 7.578 1.00 0.00 H new ATOM 1312 N VAL A 81 31.493 -26.203 3.798 1.00 0.00 N ATOM 1313 CA VAL A 81 31.463 -27.468 3.074 1.00 0.00 C ATOM 1314 C VAL A 81 32.871 -27.932 2.719 1.00 0.00 C ATOM 1315 O VAL A 81 33.730 -27.125 2.361 1.00 0.00 O ATOM 1316 CB VAL A 81 30.630 -27.357 1.784 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.706 -28.649 0.985 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.186 -27.008 2.111 1.00 0.00 C ATOM 0 H VAL A 81 31.904 -25.429 3.276 1.00 0.00 H new ATOM 0 HA VAL A 81 30.999 -28.200 3.735 1.00 0.00 H new ATOM 0 HB VAL A 81 31.045 -26.555 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.111 -28.551 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.743 -28.852 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.318 -29.472 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.612 -26.934 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.758 -27.786 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.152 -26.054 2.637 1.00 0.00 H new ATOM 1328 N ASP A 82 33.101 -29.237 2.818 1.00 0.00 N ATOM 1329 CA ASP A 82 34.405 -29.809 2.505 1.00 0.00 C ATOM 1330 C ASP A 82 34.456 -30.286 1.057 1.00 0.00 C ATOM 1331 O ASP A 82 34.942 -31.380 0.770 1.00 0.00 O ATOM 1332 CB ASP A 82 34.715 -30.972 3.449 1.00 0.00 C ATOM 1333 CG ASP A 82 35.236 -30.503 4.794 1.00 0.00 C ATOM 1334 OD1 ASP A 82 34.411 -30.104 5.642 1.00 0.00 O ATOM 1335 OD2 ASP A 82 36.468 -30.535 4.997 1.00 0.00 O ATOM 0 H ASP A 82 32.401 -29.918 3.113 1.00 0.00 H new ATOM 0 HA ASP A 82 35.157 -29.031 2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.813 -31.565 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.453 -31.626 2.985 1.00 0.00 H new ATOM 1340 N ARG A 83 33.950 -29.458 0.149 1.00 0.00 N ATOM 1341 CA ARG A 83 33.935 -29.797 -1.269 1.00 0.00 C ATOM 1342 C ARG A 83 34.486 -28.647 -2.108 1.00 0.00 C ATOM 1343 O ARG A 83 34.861 -27.602 -1.576 1.00 0.00 O ATOM 1344 CB ARG A 83 32.513 -30.135 -1.720 1.00 0.00 C ATOM 1345 CG ARG A 83 32.149 -31.600 -1.538 1.00 0.00 C ATOM 1346 CD ARG A 83 30.878 -31.760 -0.720 1.00 0.00 C ATOM 1347 NE ARG A 83 30.437 -33.151 -0.661 1.00 0.00 N ATOM 1348 CZ ARG A 83 29.258 -33.528 -0.179 1.00 0.00 C ATOM 1349 NH1 ARG A 83 28.406 -32.623 0.283 1.00 0.00 N ATOM 1350 NH2 ARG A 83 28.928 -34.813 -0.159 1.00 0.00 N ATOM 0 H ARG A 83 33.545 -28.548 0.370 1.00 0.00 H new ATOM 0 HA ARG A 83 34.572 -30.669 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.808 -29.522 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.401 -29.869 -2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.016 -32.067 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.969 -32.121 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 83 31.049 -31.391 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.088 -31.147 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 83 31.069 -33.872 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 83 28.655 -31.634 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 83 27.501 -32.916 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 83 29.580 -35.513 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 83 28.022 -35.101 0.211 1.00 0.00 H new ATOM 1364 N ARG A 84 34.533 -28.848 -3.421 1.00 0.00 N ATOM 1365 CA ARG A 84 35.039 -27.830 -4.332 1.00 0.00 C ATOM 1366 C ARG A 84 33.895 -27.152 -5.081 1.00 0.00 C ATOM 1367 O ARG A 84 32.985 -27.816 -5.578 1.00 0.00 O ATOM 1368 CB ARG A 84 36.019 -28.450 -5.330 1.00 0.00 C ATOM 1369 CG ARG A 84 36.497 -27.480 -6.398 1.00 0.00 C ATOM 1370 CD ARG A 84 37.172 -28.207 -7.550 1.00 0.00 C ATOM 1371 NE ARG A 84 38.626 -28.077 -7.503 1.00 0.00 N ATOM 1372 CZ ARG A 84 39.262 -26.912 -7.570 1.00 0.00 C ATOM 1373 NH1 ARG A 84 38.576 -25.784 -7.686 1.00 0.00 N ATOM 1374 NH2 ARG A 84 40.588 -26.875 -7.520 1.00 0.00 N ATOM 0 H ARG A 84 34.226 -29.707 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 84 35.560 -27.077 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.883 -28.834 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.542 -29.302 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 84 35.650 -26.906 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 84 37.194 -26.767 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 84 36.901 -29.262 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 84 36.803 -27.809 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 84 39.184 -28.926 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 84 37.557 -25.808 -7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 84 39.067 -24.891 -7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 84 41.119 -27.741 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 84 41.076 -25.981 -7.571 1.00 0.00 H new ATOM 1388 N LEU A 85 33.948 -25.827 -5.156 1.00 0.00 N ATOM 1389 CA LEU A 85 32.916 -25.059 -5.844 1.00 0.00 C ATOM 1390 C LEU A 85 31.523 -25.510 -5.414 1.00 0.00 C ATOM 1391 O LEU A 85 30.580 -25.488 -6.205 1.00 0.00 O ATOM 1392 CB LEU A 85 33.067 -25.205 -7.359 1.00 0.00 C ATOM 1393 CG LEU A 85 33.887 -24.121 -8.059 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.208 -23.903 -7.339 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.126 -24.492 -9.516 1.00 0.00 C ATOM 0 H LEU A 85 34.694 -25.262 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 85 33.038 -24.010 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.527 -26.171 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.072 -25.223 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 85 33.323 -23.189 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.778 -23.128 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.016 -23.593 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.779 -24.832 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.711 -23.710 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.670 -25.435 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.169 -24.597 -10.026 1.00 0.00 H new ATOM 1407 N VAL A 86 31.402 -25.919 -4.155 1.00 0.00 N ATOM 1408 CA VAL A 86 30.124 -26.373 -3.618 1.00 0.00 C ATOM 1409 C VAL A 86 29.835 -25.728 -2.267 1.00 0.00 C ATOM 1410 O VAL A 86 30.486 -26.036 -1.269 1.00 0.00 O ATOM 1411 CB VAL A 86 30.094 -27.905 -3.461 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.781 -28.351 -2.836 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.312 -28.582 -4.805 1.00 0.00 C ATOM 0 H VAL A 86 32.173 -25.945 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 86 29.356 -26.073 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 86 30.905 -28.202 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.777 -29.436 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.672 -27.892 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 86 27.952 -28.044 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.288 -29.664 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.524 -28.281 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.281 -28.286 -5.208 1.00 0.00 H new ATOM 1423 N TYR A 87 28.855 -24.832 -2.243 1.00 0.00 N ATOM 1424 CA TYR A 87 28.480 -24.142 -1.015 1.00 0.00 C ATOM 1425 C TYR A 87 27.060 -24.509 -0.595 1.00 0.00 C ATOM 1426 O TYR A 87 26.336 -25.180 -1.330 1.00 0.00 O ATOM 1427 CB TYR A 87 28.594 -22.628 -1.201 1.00 0.00 C ATOM 1428 CG TYR A 87 30.000 -22.159 -1.501 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.563 -22.350 -2.757 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.765 -21.526 -0.530 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.847 -21.923 -3.037 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.049 -21.095 -0.801 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.586 -21.296 -2.055 1.00 0.00 C ATOM 1434 OH TYR A 87 33.865 -20.870 -2.328 1.00 0.00 O ATOM 0 H TYR A 87 28.306 -24.566 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 87 29.165 -24.457 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.936 -22.320 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.239 -22.132 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.987 -22.841 -3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.349 -21.368 0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.270 -22.079 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.629 -20.603 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 87 34.246 -20.448 -1.530 1.00 0.00 H new ATOM 1444 N LYS A 88 26.667 -24.062 0.593 1.00 0.00 N ATOM 1445 CA LYS A 88 25.334 -24.340 1.113 1.00 0.00 C ATOM 1446 C LYS A 88 24.872 -23.227 2.049 1.00 0.00 C ATOM 1447 O LYS A 88 25.621 -22.785 2.920 1.00 0.00 O ATOM 1448 CB LYS A 88 25.321 -25.680 1.851 1.00 0.00 C ATOM 1449 CG LYS A 88 24.005 -25.977 2.549 1.00 0.00 C ATOM 1450 CD LYS A 88 24.213 -26.820 3.796 1.00 0.00 C ATOM 1451 CE LYS A 88 23.099 -27.841 3.971 1.00 0.00 C ATOM 1452 NZ LYS A 88 23.433 -28.852 5.013 1.00 0.00 N ATOM 0 H LYS A 88 27.254 -23.505 1.214 1.00 0.00 H new ATOM 0 HA LYS A 88 24.645 -24.390 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.534 -26.479 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.124 -25.687 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.516 -25.041 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.338 -26.499 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.172 -27.334 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.255 -26.172 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.176 -27.329 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.915 -28.344 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.649 -29.530 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 24.299 -29.358 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 23.584 -28.374 5.924 1.00 0.00 H new ATOM 1466 N PHE A 89 23.634 -22.781 1.865 1.00 0.00 N ATOM 1467 CA PHE A 89 23.073 -21.721 2.694 1.00 0.00 C ATOM 1468 C PHE A 89 22.701 -22.250 4.076 1.00 0.00 C ATOM 1469 O PHE A 89 21.931 -23.200 4.202 1.00 0.00 O ATOM 1470 CB PHE A 89 21.840 -21.115 2.019 1.00 0.00 C ATOM 1471 CG PHE A 89 22.146 -20.424 0.721 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.152 -21.131 -0.471 1.00 0.00 C ATOM 1473 CD2 PHE A 89 22.428 -19.068 0.692 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.433 -20.499 -1.667 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.709 -18.430 -0.501 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.712 -19.146 -1.682 1.00 0.00 C ATOM 0 H PHE A 89 23.000 -23.137 1.149 1.00 0.00 H new ATOM 0 HA PHE A 89 23.832 -20.947 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.110 -21.904 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.376 -20.402 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 89 21.934 -22.189 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 89 22.428 -18.503 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 89 22.435 -21.062 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 89 22.926 -17.372 -0.510 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.932 -18.649 -2.615 1.00 0.00 H new ATOM 1486 N GLY A 90 23.256 -21.626 5.111 1.00 0.00 N ATOM 1487 CA GLY A 90 22.973 -22.047 6.470 1.00 0.00 C ATOM 1488 C GLY A 90 21.525 -21.821 6.857 1.00 0.00 C ATOM 1489 O GLY A 90 20.633 -21.866 6.010 1.00 0.00 O ATOM 0 H GLY A 90 23.897 -20.836 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.214 -23.105 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.619 -21.502 7.158 1.00 0.00 H new ATOM 1493 N LYS A 91 21.289 -21.578 8.142 1.00 0.00 N ATOM 1494 CA LYS A 91 19.939 -21.344 8.641 1.00 0.00 C ATOM 1495 C LYS A 91 19.626 -19.851 8.684 1.00 0.00 C ATOM 1496 O LYS A 91 18.471 -19.454 8.834 1.00 0.00 O ATOM 1497 CB LYS A 91 19.777 -21.949 10.037 1.00 0.00 C ATOM 1498 CG LYS A 91 20.737 -21.375 11.064 1.00 0.00 C ATOM 1499 CD LYS A 91 21.466 -22.472 11.822 1.00 0.00 C ATOM 1500 CE LYS A 91 22.505 -21.898 12.773 1.00 0.00 C ATOM 1501 NZ LYS A 91 22.629 -22.711 14.015 1.00 0.00 N ATOM 0 H LYS A 91 22.015 -21.538 8.857 1.00 0.00 H new ATOM 0 HA LYS A 91 19.238 -21.826 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.754 -21.787 10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.925 -23.027 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.463 -20.732 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.187 -20.749 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.746 -23.067 12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.951 -23.144 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 91 23.471 -21.852 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 91 22.233 -20.875 13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 23.347 -22.287 14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.713 -22.734 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 22.914 -23.680 13.768 1.00 0.00 H new ATOM 1515 N ASN A 92 20.661 -19.030 8.548 1.00 0.00 N ATOM 1516 CA ASN A 92 20.496 -17.581 8.570 1.00 0.00 C ATOM 1517 C ASN A 92 19.909 -17.081 7.254 1.00 0.00 C ATOM 1518 O ASN A 92 19.186 -16.085 7.223 1.00 0.00 O ATOM 1519 CB ASN A 92 21.839 -16.897 8.835 1.00 0.00 C ATOM 1520 CG ASN A 92 22.080 -16.651 10.312 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.326 -15.520 10.732 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.012 -17.712 11.107 1.00 0.00 N ATOM 0 H ASN A 92 21.624 -19.343 8.421 1.00 0.00 H new ATOM 0 HA ASN A 92 19.804 -17.331 9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.643 -17.515 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.872 -15.947 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.167 -17.609 12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.805 -18.631 10.715 1.00 0.00 H new ATOM 1529 N ALA A 93 20.224 -17.779 6.168 1.00 0.00 N ATOM 1530 CA ALA A 93 19.726 -17.408 4.849 1.00 0.00 C ATOM 1531 C ALA A 93 18.259 -17.791 4.689 1.00 0.00 C ATOM 1532 O ALA A 93 17.876 -18.937 4.929 1.00 0.00 O ATOM 1533 CB ALA A 93 20.567 -18.064 3.764 1.00 0.00 C ATOM 0 H ALA A 93 20.822 -18.605 6.176 1.00 0.00 H new ATOM 0 HA ALA A 93 19.804 -16.325 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.184 -17.778 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.602 -17.737 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.518 -19.148 3.871 1.00 0.00 H new ATOM 1539 N HIS A 94 17.441 -16.826 4.281 1.00 0.00 N ATOM 1540 CA HIS A 94 16.015 -17.063 4.088 1.00 0.00 C ATOM 1541 C HIS A 94 15.629 -16.892 2.622 1.00 0.00 C ATOM 1542 O HIS A 94 16.164 -16.030 1.926 1.00 0.00 O ATOM 1543 CB HIS A 94 15.196 -16.109 4.958 1.00 0.00 C ATOM 1544 CG HIS A 94 15.529 -14.665 4.742 1.00 0.00 C ATOM 1545 ND1 HIS A 94 14.759 -13.823 3.967 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.555 -13.915 5.205 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.299 -12.617 3.962 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.390 -12.646 4.706 1.00 0.00 N ATOM 0 H HIS A 94 17.741 -15.873 4.078 1.00 0.00 H new ATOM 0 HA HIS A 94 15.799 -18.089 4.385 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.137 -16.263 4.754 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.358 -16.358 6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.355 -14.251 5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.914 -11.754 3.439 1.00 0.00 H new ATOM 0 HE2 HIS A 94 17.009 -11.855 4.881 1.00 0.00 H new ATOM 1556 N GLY A 95 14.696 -17.719 2.160 1.00 0.00 N ATOM 1557 CA GLY A 95 14.256 -17.643 0.779 1.00 0.00 C ATOM 1558 C GLY A 95 14.417 -18.960 0.046 1.00 0.00 C ATOM 1559 O GLY A 95 13.550 -19.353 -0.734 1.00 0.00 O ATOM 0 H GLY A 95 14.237 -18.440 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.209 -17.340 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.825 -16.871 0.262 1.00 0.00 H new ATOM 1563 N TRP A 96 15.529 -19.641 0.294 1.00 0.00 N ATOM 1564 CA TRP A 96 15.802 -20.921 -0.350 1.00 0.00 C ATOM 1565 C TRP A 96 15.132 -22.064 0.405 1.00 0.00 C ATOM 1566 O TRP A 96 14.555 -22.965 -0.203 1.00 0.00 O ATOM 1567 CB TRP A 96 17.310 -21.162 -0.433 1.00 0.00 C ATOM 1568 CG TRP A 96 17.934 -21.483 0.891 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.598 -20.620 1.715 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.953 -22.757 1.544 1.00 0.00 C ATOM 1571 NE1 TRP A 96 19.029 -21.281 2.840 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.645 -22.593 2.759 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.451 -24.021 1.220 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.848 -23.645 3.648 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.653 -25.064 2.104 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.345 -24.871 3.306 1.00 0.00 C ATOM 0 H TRP A 96 16.257 -19.329 0.937 1.00 0.00 H new ATOM 0 HA TRP A 96 15.391 -20.887 -1.359 1.00 0.00 H new ATOM 0 HB2 TRP A 96 17.502 -21.982 -1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.790 -20.276 -0.847 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.761 -19.572 1.512 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.550 -20.862 3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.915 -24.179 0.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.383 -23.499 4.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.270 -26.045 1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.485 -25.706 3.976 1.00 0.00 H new ATOM 1587 N GLN A 97 15.213 -22.019 1.731 1.00 0.00 N ATOM 1588 CA GLN A 97 14.614 -23.053 2.567 1.00 0.00 C ATOM 1589 C GLN A 97 13.198 -23.377 2.101 1.00 0.00 C ATOM 1590 O GLN A 97 12.607 -22.634 1.319 1.00 0.00 O ATOM 1591 CB GLN A 97 14.592 -22.606 4.030 1.00 0.00 C ATOM 1592 CG GLN A 97 15.560 -23.375 4.915 1.00 0.00 C ATOM 1593 CD GLN A 97 15.886 -22.638 6.199 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.464 -23.041 7.284 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.643 -21.553 6.084 1.00 0.00 N ATOM 0 H GLN A 97 15.687 -21.279 2.249 1.00 0.00 H new ATOM 0 HA GLN A 97 15.221 -23.954 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.832 -21.544 4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.582 -22.724 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.131 -24.347 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.481 -23.561 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.971 -21.255 5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.897 -21.018 6.914 1.00 0.00 H new