USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 506 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 15 TYR OH : rot 171:sc= -2.77! USER MOD Set 1.2: A 37 MET CE :methyl 145:sc= -0.363 (180deg=-1.5) USER MOD Set 2.1: A 34 SER OG : rot -170:sc= 1.05 USER MOD Set 2.2: A 43 TYR OH : rot -108:sc= 1.25 USER MOD Single : A 10 THR OG1 : rot -23:sc= 0.0547 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.767) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -1.41 (180deg=-2.17) USER MOD Single : A 20 SER OG : rot -7:sc= -0.741! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.168 K(o=0.17,f=-8.2!) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -5.47! C(o=-6.4!,f=-5.5!) USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 29 ASN : amide:sc=-0.00285 K(o=-0.0029,f=-0.72) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.09) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 40 SER OG : rot 160:sc=-0.00713 USER MOD Single : A 44 GLN : amide:sc= 1 K(o=1,f=-1.8!) USER MOD Single : A 46 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= 1.09 (180deg=0.00189) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.202 (180deg=-0.822) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.258 F(o=-1.9,f=-0.26) USER MOD Single : A 62 HIS : no HD1:sc= -4.39 X(o=-4.4,f=-4.3) USER MOD Single : A 64 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-6.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 10 -11.141 4.639 2.463 1.00 0.00 N ATOM 76 CA THR A 10 -10.572 4.066 3.674 1.00 0.00 C ATOM 77 C THR A 10 -9.731 2.822 3.401 1.00 0.00 C ATOM 78 O THR A 10 -8.769 2.563 4.118 1.00 0.00 O ATOM 79 CB THR A 10 -11.671 3.736 4.697 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.621 2.821 4.135 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.386 5.003 5.140 1.00 0.00 C ATOM 0 HA THR A 10 -9.909 4.826 4.087 1.00 0.00 H new ATOM 0 HB THR A 10 -11.199 3.273 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.596 2.883 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.160 4.750 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.669 5.684 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.842 5.485 4.275 1.00 0.00 H new ATOM 89 N ALA A 11 -10.082 2.052 2.376 1.00 0.00 N ATOM 90 CA ALA A 11 -9.294 0.876 2.027 1.00 0.00 C ATOM 91 C ALA A 11 -7.910 1.297 1.556 1.00 0.00 C ATOM 92 O ALA A 11 -6.896 0.792 2.038 1.00 0.00 O ATOM 93 CB ALA A 11 -9.993 0.044 0.964 1.00 0.00 C ATOM 0 H ALA A 11 -10.894 2.217 1.781 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.189 0.256 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.382 -0.826 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.962 -0.285 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.136 0.646 0.067 1.00 0.00 H new ATOM 99 N LYS A 12 -7.881 2.254 0.634 1.00 0.00 N ATOM 100 CA LYS A 12 -6.627 2.813 0.156 1.00 0.00 C ATOM 101 C LYS A 12 -5.899 3.505 1.295 1.00 0.00 C ATOM 102 O LYS A 12 -4.700 3.332 1.475 1.00 0.00 O ATOM 103 CB LYS A 12 -6.874 3.811 -0.978 1.00 0.00 C ATOM 104 CG LYS A 12 -5.589 4.415 -1.522 1.00 0.00 C ATOM 105 CD LYS A 12 -5.818 5.228 -2.786 1.00 0.00 C ATOM 106 CE LYS A 12 -4.517 5.854 -3.270 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.099 7.000 -2.420 1.00 0.00 N ATOM 0 H LYS A 12 -8.714 2.657 0.204 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.013 1.997 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.406 3.310 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.522 4.610 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.140 5.052 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.876 3.617 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.231 4.588 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.553 6.009 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.731 5.099 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.638 6.192 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.146 7.310 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.769 7.786 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.089 6.707 -1.422 1.00 0.00 H new ATOM 121 N ASP A 13 -6.653 4.283 2.056 1.00 0.00 N ATOM 122 CA ASP A 13 -6.138 4.994 3.227 1.00 0.00 C ATOM 123 C ASP A 13 -5.430 4.040 4.183 1.00 0.00 C ATOM 124 O ASP A 13 -4.318 4.307 4.648 1.00 0.00 O ATOM 125 CB ASP A 13 -7.295 5.671 3.967 1.00 0.00 C ATOM 126 CG ASP A 13 -6.823 6.520 5.130 1.00 0.00 C ATOM 127 OD1 ASP A 13 -6.265 7.616 4.892 1.00 0.00 O ATOM 128 OD2 ASP A 13 -7.011 6.098 6.289 1.00 0.00 O ATOM 0 H ASP A 13 -7.645 4.443 1.882 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.422 5.739 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.853 6.295 3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.983 4.909 4.333 1.00 0.00 H new ATOM 133 N LYS A 14 -6.080 2.925 4.467 1.00 0.00 N ATOM 134 CA LYS A 14 -5.567 1.954 5.392 1.00 0.00 C ATOM 135 C LYS A 14 -4.392 1.204 4.776 1.00 0.00 C ATOM 136 O LYS A 14 -3.405 0.929 5.452 1.00 0.00 O ATOM 137 CB LYS A 14 -6.708 1.020 5.775 1.00 0.00 C ATOM 138 CG LYS A 14 -6.337 -0.037 6.781 1.00 0.00 C ATOM 139 CD LYS A 14 -7.576 -0.622 7.452 1.00 0.00 C ATOM 140 CE LYS A 14 -8.674 -0.970 6.451 1.00 0.00 C ATOM 141 NZ LYS A 14 -8.281 -2.066 5.529 1.00 0.00 N ATOM 0 H LYS A 14 -6.980 2.675 4.057 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.188 2.438 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.528 1.615 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.080 0.532 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.778 -0.832 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.680 0.392 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.296 -1.518 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.964 0.093 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.575 -1.261 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.924 -0.083 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.838 -2.000 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.269 -1.983 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.460 -2.984 5.984 1.00 0.00 H new ATOM 155 N TYR A 15 -4.487 0.907 3.483 1.00 0.00 N ATOM 156 CA TYR A 15 -3.384 0.284 2.762 1.00 0.00 C ATOM 157 C TYR A 15 -2.167 1.199 2.762 1.00 0.00 C ATOM 158 O TYR A 15 -1.027 0.749 2.896 1.00 0.00 O ATOM 159 CB TYR A 15 -3.777 -0.026 1.320 1.00 0.00 C ATOM 160 CG TYR A 15 -2.633 -0.599 0.521 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.288 -1.933 0.647 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.889 0.198 -0.342 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.234 -2.463 -0.061 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.828 -0.326 -1.053 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.507 -1.658 -0.909 1.00 0.00 C ATOM 166 OH TYR A 15 0.552 -2.187 -1.603 1.00 0.00 O ATOM 0 H TYR A 15 -5.315 1.088 2.915 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.141 -0.649 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.608 -0.732 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.131 0.886 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.855 -2.568 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.145 1.241 -0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.978 -3.507 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.254 0.303 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 15 0.870 -1.535 -2.262 1.00 0.00 H new ATOM 176 N GLU A 16 -2.421 2.484 2.587 1.00 0.00 N ATOM 177 CA GLU A 16 -1.407 3.487 2.634 1.00 0.00 C ATOM 178 C GLU A 16 -0.711 3.506 3.987 1.00 0.00 C ATOM 179 O GLU A 16 0.500 3.734 4.061 1.00 0.00 O ATOM 180 CB GLU A 16 -2.054 4.812 2.295 1.00 0.00 C ATOM 181 CG GLU A 16 -2.013 5.107 0.815 1.00 0.00 C ATOM 182 CD GLU A 16 -2.522 6.486 0.468 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.725 7.443 0.501 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.717 6.615 0.138 1.00 0.00 O ATOM 0 H GLU A 16 -3.355 2.851 2.406 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.624 3.274 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.090 4.805 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.547 5.611 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.988 5.005 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.609 4.363 0.286 1.00 0.00 H new ATOM 191 N TRP A 17 -1.452 3.231 5.058 1.00 0.00 N ATOM 192 CA TRP A 17 -0.812 3.044 6.337 1.00 0.00 C ATOM 193 C TRP A 17 -0.065 1.735 6.339 1.00 0.00 C ATOM 194 O TRP A 17 1.022 1.665 6.870 1.00 0.00 O ATOM 195 CB TRP A 17 -1.790 3.055 7.499 1.00 0.00 C ATOM 196 CG TRP A 17 -1.280 2.316 8.691 1.00 0.00 C ATOM 197 CD1 TRP A 17 -0.220 2.620 9.453 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.809 1.126 9.218 1.00 0.00 C ATOM 199 NE1 TRP A 17 -0.066 1.696 10.452 1.00 0.00 N ATOM 200 CE2 TRP A 17 -1.051 0.767 10.332 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.861 0.353 8.849 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -1.336 -0.356 11.088 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -3.155 -0.775 9.586 1.00 0.00 C ATOM 204 CH2 TRP A 17 -2.391 -1.111 10.704 1.00 0.00 C ATOM 0 H TRP A 17 -2.468 3.137 5.059 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.132 3.885 6.475 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.002 4.087 7.780 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.733 2.612 7.179 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.423 3.474 9.300 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.664 1.704 11.165 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.460 0.617 7.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.741 -0.619 11.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.984 -1.404 9.295 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.647 -1.992 11.274 1.00 0.00 H new ATOM 215 N LEU A 18 -0.650 0.702 5.755 1.00 0.00 N ATOM 216 CA LEU A 18 -0.007 -0.600 5.734 1.00 0.00 C ATOM 217 C LEU A 18 1.421 -0.457 5.211 1.00 0.00 C ATOM 218 O LEU A 18 2.381 -0.924 5.827 1.00 0.00 O ATOM 219 CB LEU A 18 -0.783 -1.599 4.850 1.00 0.00 C ATOM 220 CG LEU A 18 -1.763 -2.522 5.578 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.023 -3.684 6.218 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.507 -1.742 6.628 1.00 0.00 C ATOM 0 H LEU A 18 -1.559 0.739 5.294 1.00 0.00 H new ATOM 0 HA LEU A 18 0.005 -0.988 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.336 -1.035 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.061 -2.217 4.316 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.474 -2.922 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.735 -4.330 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.505 -4.255 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.297 -3.302 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.204 -2.401 7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.798 -1.329 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.059 -0.930 6.155 1.00 0.00 H new ATOM 234 N VAL A 19 1.545 0.227 4.082 1.00 0.00 N ATOM 235 CA VAL A 19 2.852 0.544 3.519 1.00 0.00 C ATOM 236 C VAL A 19 3.682 1.384 4.485 1.00 0.00 C ATOM 237 O VAL A 19 4.865 1.145 4.639 1.00 0.00 O ATOM 238 CB VAL A 19 2.747 1.275 2.159 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.099 1.823 1.726 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.226 0.335 1.096 1.00 0.00 C ATOM 0 H VAL A 19 0.756 0.574 3.537 1.00 0.00 H new ATOM 0 HA VAL A 19 3.350 -0.411 3.352 1.00 0.00 H new ATOM 0 HB VAL A 19 2.054 2.107 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.995 2.331 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.462 2.528 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.809 1.002 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.158 0.863 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.906 -0.511 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.238 -0.026 1.382 1.00 0.00 H new ATOM 250 N SER A 20 3.066 2.350 5.151 1.00 0.00 N ATOM 251 CA SER A 20 3.796 3.208 6.072 1.00 0.00 C ATOM 252 C SER A 20 4.129 2.473 7.369 1.00 0.00 C ATOM 253 O SER A 20 5.031 2.867 8.111 1.00 0.00 O ATOM 254 CB SER A 20 2.980 4.467 6.369 1.00 0.00 C ATOM 255 OG SER A 20 1.840 4.192 7.167 1.00 0.00 O ATOM 0 H SER A 20 2.071 2.558 5.072 1.00 0.00 H new ATOM 0 HA SER A 20 4.736 3.493 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.611 5.195 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.663 4.922 5.431 1.00 0.00 H new ATOM 0 HG SER A 20 1.745 3.223 7.278 1.00 0.00 H new ATOM 261 N ARG A 21 3.394 1.404 7.634 1.00 0.00 N ATOM 262 CA ARG A 21 3.547 0.656 8.839 1.00 0.00 C ATOM 263 C ARG A 21 4.693 -0.339 8.676 1.00 0.00 C ATOM 264 O ARG A 21 5.323 -0.756 9.645 1.00 0.00 O ATOM 265 CB ARG A 21 2.218 -0.033 9.193 1.00 0.00 C ATOM 266 CG ARG A 21 2.237 -1.478 8.863 1.00 0.00 C ATOM 267 CD ARG A 21 1.045 -2.237 9.414 1.00 0.00 C ATOM 268 NE ARG A 21 1.329 -3.669 9.520 1.00 0.00 N ATOM 269 CZ ARG A 21 0.401 -4.613 9.640 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.887 -4.291 9.624 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.766 -5.879 9.775 1.00 0.00 N ATOM 0 H ARG A 21 2.676 1.042 7.007 1.00 0.00 H new ATOM 0 HA ARG A 21 3.800 1.317 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.016 0.093 10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.404 0.451 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.264 -1.595 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.153 -1.921 9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.782 -1.843 10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.182 -2.082 8.767 1.00 0.00 H new ATOM 0 HE ARG A 21 2.306 -3.962 9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.168 -3.316 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.596 -5.019 9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.756 -6.126 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.058 -6.607 9.867 1.00 0.00 H new ATOM 285 N ILE A 22 4.964 -0.689 7.431 1.00 0.00 N ATOM 286 CA ILE A 22 6.064 -1.584 7.100 1.00 0.00 C ATOM 287 C ILE A 22 7.242 -0.794 6.545 1.00 0.00 C ATOM 288 O ILE A 22 8.355 -0.830 7.074 1.00 0.00 O ATOM 289 CB ILE A 22 5.621 -2.605 6.050 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.322 -3.262 6.497 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.700 -3.648 5.827 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.494 -4.473 7.392 1.00 0.00 C ATOM 0 H ILE A 22 4.432 -0.364 6.623 1.00 0.00 H new ATOM 0 HA ILE A 22 6.365 -2.100 8.012 1.00 0.00 H new ATOM 0 HB ILE A 22 5.453 -2.092 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.720 -2.522 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.759 -3.559 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.364 -4.364 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.611 -3.160 5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.900 -4.170 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.515 -4.871 7.658 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.065 -5.237 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.026 -4.183 8.298 1.00 0.00 H new ATOM 304 N VAL A 23 6.963 -0.069 5.479 1.00 0.00 N ATOM 305 CA VAL A 23 7.950 0.711 4.775 1.00 0.00 C ATOM 306 C VAL A 23 8.097 2.084 5.420 1.00 0.00 C ATOM 307 O VAL A 23 7.353 3.019 5.111 1.00 0.00 O ATOM 308 CB VAL A 23 7.521 0.849 3.309 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.551 1.620 2.517 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.281 -0.523 2.701 1.00 0.00 C ATOM 0 H VAL A 23 6.028 -0.008 5.075 1.00 0.00 H new ATOM 0 HA VAL A 23 8.917 0.210 4.824 1.00 0.00 H new ATOM 0 HB VAL A 23 6.587 1.410 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.224 1.705 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.667 2.616 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.506 1.096 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.977 -0.412 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.199 -1.108 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.494 -1.034 3.256 1.00 0.00 H new ATOM 320 N LYS A 24 9.046 2.183 6.334 1.00 0.00 N ATOM 321 CA LYS A 24 9.284 3.409 7.076 1.00 0.00 C ATOM 322 C LYS A 24 10.382 4.244 6.421 1.00 0.00 C ATOM 323 O LYS A 24 10.179 5.401 6.058 1.00 0.00 O ATOM 324 CB LYS A 24 9.694 3.062 8.489 1.00 0.00 C ATOM 325 CG LYS A 24 9.511 4.187 9.447 1.00 0.00 C ATOM 326 CD LYS A 24 8.067 4.566 9.547 1.00 0.00 C ATOM 327 CE LYS A 24 7.914 5.809 10.383 1.00 0.00 C ATOM 328 NZ LYS A 24 6.578 6.439 10.226 1.00 0.00 N ATOM 0 H LYS A 24 9.672 1.417 6.583 1.00 0.00 H new ATOM 0 HA LYS A 24 8.365 3.995 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.112 2.206 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.741 2.757 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.886 3.899 10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.096 5.047 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.658 4.736 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.498 3.748 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.073 5.559 11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.686 6.527 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.523 7.290 10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.434 6.703 9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.840 5.766 10.516 1.00 0.00 H new ATOM 342 N ASN A 25 11.547 3.633 6.274 1.00 0.00 N ATOM 343 CA ASN A 25 12.732 4.313 5.742 1.00 0.00 C ATOM 344 C ASN A 25 12.820 4.250 4.216 1.00 0.00 C ATOM 345 O ASN A 25 13.839 4.626 3.642 1.00 0.00 O ATOM 346 CB ASN A 25 13.999 3.694 6.342 1.00 0.00 C ATOM 347 CG ASN A 25 14.048 2.180 6.192 1.00 0.00 C ATOM 348 OD1 ASN A 25 13.426 1.608 5.294 1.00 0.00 O ATOM 349 ND2 ASN A 25 14.798 1.523 7.058 1.00 0.00 N ATOM 0 H ASN A 25 11.704 2.655 6.517 1.00 0.00 H new ATOM 0 HA ASN A 25 12.644 5.363 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.874 4.130 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.057 3.951 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.877 0.508 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.298 2.031 7.788 1.00 0.00 H new ATOM 356 N HIS A 26 11.747 3.781 3.578 1.00 0.00 N ATOM 357 CA HIS A 26 11.677 3.553 2.122 1.00 0.00 C ATOM 358 C HIS A 26 12.773 2.608 1.602 1.00 0.00 C ATOM 359 O HIS A 26 12.897 2.408 0.397 1.00 0.00 O ATOM 360 CB HIS A 26 11.663 4.879 1.314 1.00 0.00 C ATOM 361 CG HIS A 26 12.998 5.547 1.078 1.00 0.00 C ATOM 362 ND1 HIS A 26 14.159 5.080 0.547 1.00 0.00 N flip ATOM 363 CD2 HIS A 26 13.229 6.870 1.369 1.00 0.00 C flip ATOM 364 CE1 HIS A 26 15.054 6.115 0.529 1.00 0.00 C flip ATOM 365 NE2 HIS A 26 14.469 7.181 1.034 1.00 0.00 N flip ATOM 0 H HIS A 26 10.882 3.542 4.062 1.00 0.00 H new ATOM 0 HA HIS A 26 10.723 3.052 1.959 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.206 4.681 0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.016 5.586 1.833 1.00 0.00 H new ATOM 0 HD1 HIS A 26 14.332 4.129 0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.510 7.549 1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.069 6.066 0.163 1.00 0.00 H new ATOM 374 N ASN A 27 13.544 2.006 2.494 1.00 0.00 N ATOM 375 CA ASN A 27 14.654 1.157 2.085 1.00 0.00 C ATOM 376 C ASN A 27 14.200 -0.287 1.907 1.00 0.00 C ATOM 377 O ASN A 27 14.881 -1.228 2.314 1.00 0.00 O ATOM 378 CB ASN A 27 15.774 1.196 3.112 1.00 0.00 C ATOM 379 CG ASN A 27 16.414 2.545 3.322 1.00 0.00 C ATOM 380 OD1 ASN A 27 16.441 3.375 2.310 1.00 0.00 O flip ATOM 381 ND2 ASN A 27 16.891 2.842 4.419 1.00 0.00 N flip ATOM 0 H ASN A 27 13.423 2.089 3.503 1.00 0.00 H new ATOM 0 HA ASN A 27 15.021 1.541 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.380 0.847 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.547 0.490 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.855 2.174 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.322 3.756 4.557 1.00 0.00 H new ATOM 388 N GLU A 28 13.043 -0.448 1.310 1.00 0.00 N ATOM 389 CA GLU A 28 12.462 -1.760 1.076 1.00 0.00 C ATOM 390 C GLU A 28 12.378 -2.089 -0.410 1.00 0.00 C ATOM 391 O GLU A 28 12.629 -1.237 -1.268 1.00 0.00 O ATOM 392 CB GLU A 28 11.064 -1.817 1.669 1.00 0.00 C ATOM 393 CG GLU A 28 11.033 -1.799 3.182 1.00 0.00 C ATOM 394 CD GLU A 28 11.441 -3.123 3.800 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.007 -4.184 3.300 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.185 -3.111 4.802 1.00 0.00 O ATOM 0 H GLU A 28 12.472 0.326 0.970 1.00 0.00 H new ATOM 0 HA GLU A 28 13.112 -2.493 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.487 -0.971 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.568 -2.722 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.698 -1.015 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.028 -1.543 3.516 1.00 0.00 H new ATOM 403 N ASN A 29 12.006 -3.330 -0.693 1.00 0.00 N ATOM 404 CA ASN A 29 11.811 -3.800 -2.062 1.00 0.00 C ATOM 405 C ASN A 29 10.399 -4.357 -2.224 1.00 0.00 C ATOM 406 O ASN A 29 10.096 -5.425 -1.693 1.00 0.00 O ATOM 407 CB ASN A 29 12.839 -4.882 -2.412 1.00 0.00 C ATOM 408 CG ASN A 29 14.256 -4.346 -2.512 1.00 0.00 C ATOM 409 OD1 ASN A 29 14.478 -3.213 -2.940 1.00 0.00 O ATOM 410 ND2 ASN A 29 15.224 -5.156 -2.115 1.00 0.00 N ATOM 0 H ASN A 29 11.831 -4.040 0.018 1.00 0.00 H new ATOM 0 HA ASN A 29 11.947 -2.958 -2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.806 -5.665 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.564 -5.344 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.196 -4.849 -2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.999 -6.088 -1.766 1.00 0.00 H new ATOM 417 N TRP A 30 9.563 -3.632 -2.981 1.00 0.00 N ATOM 418 CA TRP A 30 8.119 -3.907 -3.115 1.00 0.00 C ATOM 419 C TRP A 30 7.754 -5.386 -3.061 1.00 0.00 C ATOM 420 O TRP A 30 6.938 -5.790 -2.243 1.00 0.00 O ATOM 421 CB TRP A 30 7.597 -3.310 -4.416 1.00 0.00 C ATOM 422 CG TRP A 30 6.299 -3.883 -4.839 1.00 0.00 C ATOM 423 CD1 TRP A 30 6.097 -4.560 -5.969 1.00 0.00 C ATOM 424 CD2 TRP A 30 5.053 -3.864 -4.140 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.787 -4.957 -6.067 1.00 0.00 N ATOM 426 CE2 TRP A 30 4.123 -4.546 -4.943 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.633 -3.334 -2.925 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.794 -4.712 -4.567 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.324 -3.498 -2.550 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.412 -4.183 -3.366 1.00 0.00 C ATOM 0 H TRP A 30 9.872 -2.827 -3.526 1.00 0.00 H new ATOM 0 HA TRP A 30 7.648 -3.441 -2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.490 -2.232 -4.297 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.333 -3.472 -5.204 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.859 -4.768 -6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.377 -5.472 -6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.325 -2.803 -2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.093 -5.237 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.989 -3.091 -1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.389 -4.295 -3.039 1.00 0.00 H new ATOM 441 N LEU A 31 8.356 -6.177 -3.926 1.00 0.00 N ATOM 442 CA LEU A 31 7.978 -7.559 -4.093 1.00 0.00 C ATOM 443 C LEU A 31 8.056 -8.319 -2.778 1.00 0.00 C ATOM 444 O LEU A 31 7.062 -8.874 -2.308 1.00 0.00 O ATOM 445 CB LEU A 31 8.875 -8.184 -5.139 1.00 0.00 C ATOM 446 CG LEU A 31 8.648 -7.677 -6.563 1.00 0.00 C ATOM 447 CD1 LEU A 31 7.181 -7.788 -6.950 1.00 0.00 C ATOM 448 CD2 LEU A 31 9.153 -6.252 -6.764 1.00 0.00 C ATOM 0 H LEU A 31 9.120 -5.877 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 31 6.941 -7.611 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.914 -8.000 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.728 -9.264 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 31 9.234 -8.317 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.044 -7.421 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.868 -8.831 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.578 -7.192 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.967 -5.942 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.630 -5.581 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.223 -6.213 -6.561 1.00 0.00 H new ATOM 460 N SER A 32 9.236 -8.325 -2.186 1.00 0.00 N ATOM 461 CA SER A 32 9.449 -8.940 -0.888 1.00 0.00 C ATOM 462 C SER A 32 8.596 -8.288 0.205 1.00 0.00 C ATOM 463 O SER A 32 8.202 -8.953 1.160 1.00 0.00 O ATOM 464 CB SER A 32 10.915 -8.848 -0.516 1.00 0.00 C ATOM 465 OG SER A 32 11.739 -8.901 -1.671 1.00 0.00 O ATOM 0 H SER A 32 10.073 -7.905 -2.590 1.00 0.00 H new ATOM 0 HA SER A 32 9.146 -9.984 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.099 -7.919 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.175 -9.665 0.158 1.00 0.00 H new ATOM 0 HG SER A 32 12.680 -8.838 -1.405 1.00 0.00 H new ATOM 471 N VAL A 33 8.311 -6.995 0.081 1.00 0.00 N ATOM 472 CA VAL A 33 7.449 -6.325 1.055 1.00 0.00 C ATOM 473 C VAL A 33 6.016 -6.800 0.887 1.00 0.00 C ATOM 474 O VAL A 33 5.282 -6.901 1.850 1.00 0.00 O ATOM 475 CB VAL A 33 7.481 -4.786 0.931 1.00 0.00 C ATOM 476 CG1 VAL A 33 6.850 -4.134 2.147 1.00 0.00 C ATOM 477 CG2 VAL A 33 8.893 -4.287 0.753 1.00 0.00 C ATOM 0 H VAL A 33 8.656 -6.397 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 33 7.833 -6.585 2.041 1.00 0.00 H new ATOM 0 HB VAL A 33 6.903 -4.513 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.884 -3.050 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.813 -4.457 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.399 -4.425 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.887 -3.200 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.494 -4.580 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.320 -4.719 -0.152 1.00 0.00 H new ATOM 487 N SER A 34 5.636 -7.105 -0.343 1.00 0.00 N ATOM 488 CA SER A 34 4.314 -7.646 -0.633 1.00 0.00 C ATOM 489 C SER A 34 4.180 -9.045 -0.036 1.00 0.00 C ATOM 490 O SER A 34 3.094 -9.472 0.338 1.00 0.00 O ATOM 491 CB SER A 34 4.090 -7.674 -2.153 1.00 0.00 C ATOM 492 OG SER A 34 2.840 -8.241 -2.495 1.00 0.00 O ATOM 0 H SER A 34 6.229 -6.986 -1.165 1.00 0.00 H new ATOM 0 HA SER A 34 3.553 -7.009 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.147 -6.659 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.889 -8.245 -2.627 1.00 0.00 H new ATOM 0 HG SER A 34 2.801 -8.386 -3.463 1.00 0.00 H new ATOM 498 N ARG A 35 5.301 -9.748 0.043 1.00 0.00 N ATOM 499 CA ARG A 35 5.395 -11.010 0.729 1.00 0.00 C ATOM 500 C ARG A 35 5.051 -10.832 2.186 1.00 0.00 C ATOM 501 O ARG A 35 4.221 -11.528 2.758 1.00 0.00 O ATOM 502 CB ARG A 35 6.821 -11.455 0.614 1.00 0.00 C ATOM 503 CG ARG A 35 7.311 -11.449 -0.783 1.00 0.00 C ATOM 504 CD ARG A 35 6.536 -12.421 -1.628 1.00 0.00 C ATOM 505 NE ARG A 35 7.079 -12.525 -2.979 1.00 0.00 N ATOM 506 CZ ARG A 35 6.335 -12.626 -4.081 1.00 0.00 C ATOM 507 NH1 ARG A 35 5.014 -12.734 -3.995 1.00 0.00 N ATOM 508 NH2 ARG A 35 6.913 -12.635 -5.272 1.00 0.00 N ATOM 0 H ARG A 35 6.179 -9.445 -0.377 1.00 0.00 H new ATOM 0 HA ARG A 35 4.708 -11.738 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.451 -10.802 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.918 -12.460 1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.220 -10.446 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.370 -11.708 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.549 -13.403 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.494 -12.106 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 35 8.093 -12.520 -3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.561 -12.740 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.452 -12.811 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.928 -12.565 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.344 -12.712 -6.115 1.00 0.00 H new ATOM 522 N LYS A 36 5.758 -9.903 2.769 1.00 0.00 N ATOM 523 CA LYS A 36 5.509 -9.442 4.124 1.00 0.00 C ATOM 524 C LYS A 36 4.056 -9.022 4.306 1.00 0.00 C ATOM 525 O LYS A 36 3.283 -9.620 5.055 1.00 0.00 O ATOM 526 CB LYS A 36 6.398 -8.231 4.381 1.00 0.00 C ATOM 527 CG LYS A 36 7.850 -8.492 4.113 1.00 0.00 C ATOM 528 CD LYS A 36 8.718 -7.324 4.500 1.00 0.00 C ATOM 529 CE LYS A 36 10.192 -7.634 4.314 1.00 0.00 C ATOM 530 NZ LYS A 36 11.055 -6.475 4.665 1.00 0.00 N ATOM 0 H LYS A 36 6.540 -9.431 2.314 1.00 0.00 H new ATOM 0 HA LYS A 36 5.724 -10.254 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.063 -7.404 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.278 -7.915 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.167 -9.377 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.989 -8.711 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.450 -6.456 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.530 -7.060 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.463 -8.489 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.374 -7.921 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.041 -6.687 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.737 -5.634 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.991 -6.292 5.687 1.00 0.00 H new ATOM 544 N MET A 37 3.730 -7.989 3.571 1.00 0.00 N ATOM 545 CA MET A 37 2.450 -7.287 3.638 1.00 0.00 C ATOM 546 C MET A 37 1.231 -8.172 3.370 1.00 0.00 C ATOM 547 O MET A 37 0.148 -7.889 3.879 1.00 0.00 O ATOM 548 CB MET A 37 2.481 -6.123 2.646 1.00 0.00 C ATOM 549 CG MET A 37 3.071 -4.848 3.230 1.00 0.00 C ATOM 550 SD MET A 37 3.479 -3.624 1.973 1.00 0.00 S ATOM 551 CE MET A 37 1.908 -3.430 1.145 1.00 0.00 C ATOM 0 H MET A 37 4.365 -7.590 2.880 1.00 0.00 H new ATOM 0 HA MET A 37 2.333 -6.936 4.663 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.062 -6.416 1.771 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.467 -5.921 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.361 -4.415 3.935 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.970 -5.095 3.795 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.788 -2.393 0.830 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.874 -4.081 0.271 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.101 -3.697 1.828 1.00 0.00 H new ATOM 561 N GLN A 38 1.388 -9.234 2.583 1.00 0.00 N ATOM 562 CA GLN A 38 0.253 -10.088 2.240 1.00 0.00 C ATOM 563 C GLN A 38 -0.324 -10.765 3.474 1.00 0.00 C ATOM 564 O GLN A 38 -1.480 -11.183 3.484 1.00 0.00 O ATOM 565 CB GLN A 38 0.643 -11.136 1.207 1.00 0.00 C ATOM 566 CG GLN A 38 1.656 -12.147 1.695 1.00 0.00 C ATOM 567 CD GLN A 38 2.033 -13.149 0.640 1.00 0.00 C ATOM 568 OE1 GLN A 38 2.023 -12.729 -0.605 1.00 0.00 O flip ATOM 569 NE2 GLN A 38 2.334 -14.301 0.945 1.00 0.00 N flip ATOM 0 H GLN A 38 2.278 -9.521 2.175 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.514 -9.444 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.255 -11.665 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.046 -10.631 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.552 -11.624 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.251 -12.672 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.329 -14.587 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.588 -14.971 0.219 1.00 0.00 H new ATOM 578 N ALA A 39 0.483 -10.855 4.515 1.00 0.00 N ATOM 579 CA ALA A 39 0.040 -11.400 5.793 1.00 0.00 C ATOM 580 C ALA A 39 -0.808 -10.384 6.566 1.00 0.00 C ATOM 581 O ALA A 39 -0.945 -10.470 7.787 1.00 0.00 O ATOM 582 CB ALA A 39 1.238 -11.842 6.622 1.00 0.00 C ATOM 0 H ALA A 39 1.458 -10.556 4.503 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.586 -12.269 5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.893 -12.247 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.792 -12.609 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.888 -10.987 6.806 1.00 0.00 H new ATOM 588 N SER A 40 -1.369 -9.421 5.845 1.00 0.00 N ATOM 589 CA SER A 40 -2.260 -8.440 6.416 1.00 0.00 C ATOM 590 C SER A 40 -3.481 -8.258 5.523 1.00 0.00 C ATOM 591 O SER A 40 -3.365 -8.019 4.314 1.00 0.00 O ATOM 592 CB SER A 40 -1.546 -7.106 6.595 1.00 0.00 C ATOM 593 OG SER A 40 -0.445 -7.225 7.479 1.00 0.00 O ATOM 0 H SER A 40 -1.213 -9.305 4.844 1.00 0.00 H new ATOM 0 HA SER A 40 -2.582 -8.797 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.200 -6.744 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.246 -6.365 6.981 1.00 0.00 H new ATOM 0 HG SER A 40 0.172 -6.477 7.336 1.00 0.00 H new ATOM 599 N PRO A 41 -4.663 -8.385 6.133 1.00 0.00 N ATOM 600 CA PRO A 41 -5.966 -8.244 5.471 1.00 0.00 C ATOM 601 C PRO A 41 -6.095 -6.957 4.706 1.00 0.00 C ATOM 602 O PRO A 41 -6.806 -6.878 3.706 1.00 0.00 O ATOM 603 CB PRO A 41 -6.969 -8.245 6.621 1.00 0.00 C ATOM 604 CG PRO A 41 -6.173 -8.161 7.867 1.00 0.00 C ATOM 605 CD PRO A 41 -4.815 -8.701 7.550 1.00 0.00 C ATOM 0 HA PRO A 41 -6.117 -9.040 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.654 -7.401 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.575 -9.151 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.107 -7.130 8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.642 -8.737 8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.041 -8.229 8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.753 -9.774 7.734 1.00 0.00 H new ATOM 613 N GLU A 42 -5.425 -5.957 5.209 1.00 0.00 N ATOM 614 CA GLU A 42 -5.444 -4.639 4.608 1.00 0.00 C ATOM 615 C GLU A 42 -4.792 -4.627 3.232 1.00 0.00 C ATOM 616 O GLU A 42 -5.349 -4.094 2.275 1.00 0.00 O ATOM 617 CB GLU A 42 -4.750 -3.629 5.505 1.00 0.00 C ATOM 618 CG GLU A 42 -5.401 -3.415 6.859 1.00 0.00 C ATOM 619 CD GLU A 42 -5.245 -4.591 7.804 1.00 0.00 C ATOM 620 OE1 GLU A 42 -4.276 -5.361 7.641 1.00 0.00 O ATOM 621 OE2 GLU A 42 -6.091 -4.748 8.710 1.00 0.00 O ATOM 0 H GLU A 42 -4.848 -6.026 6.047 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.492 -4.363 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.721 -3.952 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.708 -2.672 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.970 -2.528 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.463 -3.215 6.714 1.00 0.00 H new ATOM 628 N TYR A 43 -3.604 -5.195 3.127 1.00 0.00 N ATOM 629 CA TYR A 43 -2.951 -5.301 1.835 1.00 0.00 C ATOM 630 C TYR A 43 -3.832 -6.110 0.892 1.00 0.00 C ATOM 631 O TYR A 43 -3.971 -5.780 -0.285 1.00 0.00 O ATOM 632 CB TYR A 43 -1.566 -5.936 1.986 1.00 0.00 C ATOM 633 CG TYR A 43 -1.070 -6.640 0.735 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.411 -7.965 0.478 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.272 -5.982 -0.192 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.973 -8.609 -0.660 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.168 -6.620 -1.336 1.00 0.00 C ATOM 638 CZ TYR A 43 -0.185 -7.932 -1.564 1.00 0.00 C ATOM 639 OH TYR A 43 0.253 -8.570 -2.701 1.00 0.00 O ATOM 0 H TYR A 43 -3.078 -5.585 3.909 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.810 -4.306 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.851 -5.162 2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.594 -6.652 2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.030 -8.499 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.009 -4.954 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.246 -9.638 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.786 -6.093 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 43 1.214 -8.746 -2.628 1.00 0.00 H new ATOM 649 N GLN A 44 -4.438 -7.159 1.436 1.00 0.00 N ATOM 650 CA GLN A 44 -5.377 -7.982 0.687 1.00 0.00 C ATOM 651 C GLN A 44 -6.501 -7.131 0.136 1.00 0.00 C ATOM 652 O GLN A 44 -6.741 -7.102 -1.066 1.00 0.00 O ATOM 653 CB GLN A 44 -5.998 -9.030 1.590 1.00 0.00 C ATOM 654 CG GLN A 44 -5.001 -9.888 2.317 1.00 0.00 C ATOM 655 CD GLN A 44 -4.691 -11.178 1.583 1.00 0.00 C ATOM 656 OE1 GLN A 44 -5.527 -11.711 0.853 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.495 -11.700 1.781 1.00 0.00 N ATOM 0 H GLN A 44 -4.294 -7.460 2.400 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.825 -8.457 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.633 -8.532 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.644 -9.672 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.078 -9.325 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.386 -10.123 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.828 -11.230 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.238 -12.574 1.322 1.00 0.00 H new ATOM 666 N ASP A 45 -7.192 -6.459 1.047 1.00 0.00 N ATOM 667 CA ASP A 45 -8.397 -5.701 0.711 1.00 0.00 C ATOM 668 C ASP A 45 -8.163 -4.684 -0.407 1.00 0.00 C ATOM 669 O ASP A 45 -8.990 -4.559 -1.312 1.00 0.00 O ATOM 670 CB ASP A 45 -9.014 -5.045 1.968 1.00 0.00 C ATOM 671 CG ASP A 45 -8.481 -3.671 2.328 1.00 0.00 C ATOM 672 OD1 ASP A 45 -8.831 -2.693 1.644 1.00 0.00 O ATOM 673 OD2 ASP A 45 -7.788 -3.556 3.357 1.00 0.00 O ATOM 0 H ASP A 45 -6.938 -6.422 2.034 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.121 -6.416 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.092 -4.969 1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.853 -5.710 2.817 1.00 0.00 H new ATOM 678 N TYR A 46 -7.028 -4.001 -0.388 1.00 0.00 N ATOM 679 CA TYR A 46 -6.744 -3.003 -1.417 1.00 0.00 C ATOM 680 C TYR A 46 -6.372 -3.648 -2.733 1.00 0.00 C ATOM 681 O TYR A 46 -6.777 -3.174 -3.798 1.00 0.00 O ATOM 682 CB TYR A 46 -5.647 -2.030 -0.982 1.00 0.00 C ATOM 683 CG TYR A 46 -5.357 -0.974 -2.028 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.182 0.136 -2.165 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.274 -1.095 -2.890 1.00 0.00 C ATOM 686 CE1 TYR A 46 -5.936 1.091 -3.132 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.020 -0.141 -3.856 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.854 0.949 -3.973 1.00 0.00 C ATOM 689 OH TYR A 46 -4.610 1.899 -4.941 1.00 0.00 O ATOM 0 H TYR A 46 -6.297 -4.114 0.315 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.664 -2.436 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.945 -1.544 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.734 -2.588 -0.771 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.029 0.254 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.620 -1.950 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.589 1.946 -3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.172 -0.249 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.701 1.786 -5.289 1.00 0.00 H new ATOM 699 N VAL A 47 -5.615 -4.723 -2.680 1.00 0.00 N ATOM 700 CA VAL A 47 -5.220 -5.392 -3.898 1.00 0.00 C ATOM 701 C VAL A 47 -6.402 -6.163 -4.479 1.00 0.00 C ATOM 702 O VAL A 47 -6.467 -6.441 -5.677 1.00 0.00 O ATOM 703 CB VAL A 47 -4.012 -6.330 -3.669 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.668 -7.116 -4.926 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.806 -5.537 -3.191 1.00 0.00 C ATOM 0 H VAL A 47 -5.266 -5.146 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.907 -4.632 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.291 -7.046 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.815 -7.764 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.524 -7.723 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.419 -6.424 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.965 -6.213 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.539 -4.793 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.048 -5.036 -2.254 1.00 0.00 H new ATOM 715 N TYR A 48 -7.349 -6.468 -3.615 1.00 0.00 N ATOM 716 CA TYR A 48 -8.562 -7.146 -3.979 1.00 0.00 C ATOM 717 C TYR A 48 -9.452 -6.225 -4.801 1.00 0.00 C ATOM 718 O TYR A 48 -9.902 -6.583 -5.887 1.00 0.00 O ATOM 719 CB TYR A 48 -9.235 -7.559 -2.682 1.00 0.00 C ATOM 720 CG TYR A 48 -10.667 -7.971 -2.795 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.018 -9.256 -3.155 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.660 -7.065 -2.498 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.345 -9.632 -3.229 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.992 -7.426 -2.558 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.329 -8.712 -2.925 1.00 0.00 C ATOM 726 OH TYR A 48 -14.649 -9.086 -2.972 1.00 0.00 O ATOM 0 H TYR A 48 -7.289 -6.244 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.362 -8.022 -4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.672 -8.386 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.170 -6.728 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.246 -9.976 -3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.394 -6.058 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.611 -10.637 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.763 -6.708 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.214 -8.323 -2.730 1.00 0.00 H new ATOM 736 N LEU A 49 -9.692 -5.036 -4.266 1.00 0.00 N ATOM 737 CA LEU A 49 -10.484 -4.025 -4.964 1.00 0.00 C ATOM 738 C LEU A 49 -9.745 -3.533 -6.192 1.00 0.00 C ATOM 739 O LEU A 49 -10.200 -3.699 -7.325 1.00 0.00 O ATOM 740 CB LEU A 49 -10.749 -2.822 -4.062 1.00 0.00 C ATOM 741 CG LEU A 49 -11.264 -3.143 -2.674 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.317 -1.880 -1.832 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.634 -3.800 -2.733 1.00 0.00 C ATOM 0 H LEU A 49 -9.351 -4.745 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.428 -4.489 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.824 -2.254 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.471 -2.172 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.575 -3.850 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.689 -2.122 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.317 -1.453 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.984 -1.157 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.977 -4.018 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.340 -3.126 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.569 -4.727 -3.302 1.00 0.00 H new ATOM 755 N GLU A 50 -8.594 -2.929 -5.943 1.00 0.00 N ATOM 756 CA GLU A 50 -7.815 -2.291 -6.999 1.00 0.00 C ATOM 757 C GLU A 50 -6.938 -3.290 -7.748 1.00 0.00 C ATOM 758 O GLU A 50 -7.303 -3.763 -8.825 1.00 0.00 O ATOM 759 CB GLU A 50 -6.956 -1.161 -6.424 1.00 0.00 C ATOM 760 CG GLU A 50 -7.763 0.036 -5.955 1.00 0.00 C ATOM 761 CD GLU A 50 -8.422 0.775 -7.101 1.00 0.00 C ATOM 762 OE1 GLU A 50 -9.466 0.311 -7.593 1.00 0.00 O ATOM 763 OE2 GLU A 50 -7.884 1.820 -7.533 1.00 0.00 O ATOM 0 H GLU A 50 -8.175 -2.866 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.523 -1.874 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.375 -1.547 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.244 -0.835 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.528 -0.298 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.111 0.720 -5.413 1.00 0.00 H new ATOM 770 N GLY A 51 -5.785 -3.612 -7.181 1.00 0.00 N ATOM 771 CA GLY A 51 -4.873 -4.522 -7.845 1.00 0.00 C ATOM 772 C GLY A 51 -3.452 -4.387 -7.350 1.00 0.00 C ATOM 773 O GLY A 51 -3.112 -3.411 -6.676 1.00 0.00 O ATOM 0 H GLY A 51 -5.465 -3.262 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.212 -5.546 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.899 -4.336 -8.919 1.00 0.00 H new ATOM 777 N THR A 52 -2.621 -5.356 -7.703 1.00 0.00 N ATOM 778 CA THR A 52 -1.243 -5.403 -7.245 1.00 0.00 C ATOM 779 C THR A 52 -0.396 -4.336 -7.928 1.00 0.00 C ATOM 780 O THR A 52 0.522 -3.791 -7.328 1.00 0.00 O ATOM 781 CB THR A 52 -0.631 -6.782 -7.529 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.679 -7.736 -7.742 1.00 0.00 O ATOM 783 CG2 THR A 52 0.242 -7.232 -6.368 1.00 0.00 C ATOM 0 H THR A 52 -2.883 -6.130 -8.314 1.00 0.00 H new ATOM 0 HA THR A 52 -1.250 -5.215 -6.171 1.00 0.00 H new ATOM 0 HB THR A 52 -0.010 -6.711 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.288 -8.616 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.666 -8.211 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.048 -6.513 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.361 -7.294 -5.462 1.00 0.00 H new ATOM 791 N GLN A 53 -0.712 -4.036 -9.184 1.00 0.00 N ATOM 792 CA GLN A 53 0.028 -3.025 -9.936 1.00 0.00 C ATOM 793 C GLN A 53 -0.251 -1.627 -9.387 1.00 0.00 C ATOM 794 O GLN A 53 0.597 -0.736 -9.453 1.00 0.00 O ATOM 795 CB GLN A 53 -0.318 -3.104 -11.420 1.00 0.00 C ATOM 796 CG GLN A 53 -1.788 -2.938 -11.688 1.00 0.00 C ATOM 797 CD GLN A 53 -2.120 -2.901 -13.165 1.00 0.00 C ATOM 798 OE1 GLN A 53 -1.318 -2.448 -13.984 1.00 0.00 O ATOM 799 NE2 GLN A 53 -3.302 -3.378 -13.514 1.00 0.00 N ATOM 0 H GLN A 53 -1.472 -4.476 -9.702 1.00 0.00 H new ATOM 0 HA GLN A 53 1.093 -3.225 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.234 -2.333 -11.958 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.012 -4.065 -11.814 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.332 -3.758 -11.219 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.135 -2.017 -11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.935 -3.743 -12.802 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.581 -3.381 -14.495 1.00 0.00 H new ATOM 808 N LYS A 54 -1.441 -1.447 -8.833 1.00 0.00 N ATOM 809 CA LYS A 54 -1.796 -0.196 -8.185 1.00 0.00 C ATOM 810 C LYS A 54 -1.146 -0.098 -6.825 1.00 0.00 C ATOM 811 O LYS A 54 -0.621 0.943 -6.443 1.00 0.00 O ATOM 812 CB LYS A 54 -3.280 -0.077 -8.065 1.00 0.00 C ATOM 813 CG LYS A 54 -3.920 0.277 -9.363 1.00 0.00 C ATOM 814 CD LYS A 54 -5.354 0.661 -9.151 1.00 0.00 C ATOM 815 CE LYS A 54 -6.093 0.882 -10.462 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.532 1.184 -10.241 1.00 0.00 N ATOM 0 H LYS A 54 -2.177 -2.153 -8.820 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.430 0.627 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.691 -1.020 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.524 0.682 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.381 1.102 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.861 -0.569 -10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.856 -0.120 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.399 1.571 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.629 1.704 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.000 -0.007 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.871 1.824 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.080 0.301 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.653 1.639 -9.314 1.00 0.00 H new ATOM 830 N ALA A 55 -1.195 -1.202 -6.106 1.00 0.00 N ATOM 831 CA ALA A 55 -0.511 -1.330 -4.825 1.00 0.00 C ATOM 832 C ALA A 55 0.994 -1.146 -5.010 1.00 0.00 C ATOM 833 O ALA A 55 1.662 -0.551 -4.164 1.00 0.00 O ATOM 834 CB ALA A 55 -0.822 -2.688 -4.221 1.00 0.00 C ATOM 0 H ALA A 55 -1.708 -2.037 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.863 -0.555 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.311 -2.786 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.897 -2.781 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.481 -3.473 -4.896 1.00 0.00 H new ATOM 840 N LYS A 56 1.510 -1.670 -6.121 1.00 0.00 N ATOM 841 CA LYS A 56 2.876 -1.429 -6.550 1.00 0.00 C ATOM 842 C LYS A 56 3.165 0.073 -6.539 1.00 0.00 C ATOM 843 O LYS A 56 3.954 0.557 -5.733 1.00 0.00 O ATOM 844 CB LYS A 56 3.033 -1.974 -7.974 1.00 0.00 C ATOM 845 CG LYS A 56 4.159 -2.953 -8.202 1.00 0.00 C ATOM 846 CD LYS A 56 5.519 -2.291 -8.116 1.00 0.00 C ATOM 847 CE LYS A 56 6.597 -3.095 -8.829 1.00 0.00 C ATOM 848 NZ LYS A 56 6.286 -3.285 -10.270 1.00 0.00 N ATOM 0 H LYS A 56 0.984 -2.277 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 56 3.575 -1.924 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.098 -2.457 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.174 -1.129 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.098 -3.752 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.043 -3.415 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.464 -1.294 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.795 -2.166 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.555 -2.586 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.701 -4.068 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.167 -3.456 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.651 -4.101 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.822 -2.431 -10.641 1.00 0.00 H new ATOM 862 N LYS A 57 2.490 0.806 -7.422 1.00 0.00 N ATOM 863 CA LYS A 57 2.662 2.226 -7.559 1.00 0.00 C ATOM 864 C LYS A 57 2.355 2.987 -6.263 1.00 0.00 C ATOM 865 O LYS A 57 2.964 4.017 -5.987 1.00 0.00 O ATOM 866 CB LYS A 57 1.750 2.678 -8.689 1.00 0.00 C ATOM 867 CG LYS A 57 2.166 2.149 -10.055 1.00 0.00 C ATOM 868 CD LYS A 57 3.661 2.299 -10.267 1.00 0.00 C ATOM 869 CE LYS A 57 4.041 2.127 -11.717 1.00 0.00 C ATOM 870 NZ LYS A 57 5.456 2.503 -11.980 1.00 0.00 N ATOM 0 H LYS A 57 1.802 0.413 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 57 3.706 2.447 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.732 2.351 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.735 3.767 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.887 1.099 -10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.629 2.688 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.980 3.282 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.190 1.562 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.883 1.089 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.384 2.737 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.669 2.368 -12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.603 3.501 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.086 1.904 -11.410 1.00 0.00 H new ATOM 884 N LEU A 58 1.414 2.483 -5.480 1.00 0.00 N ATOM 885 CA LEU A 58 1.071 3.088 -4.194 1.00 0.00 C ATOM 886 C LEU A 58 2.251 2.944 -3.225 1.00 0.00 C ATOM 887 O LEU A 58 2.586 3.873 -2.486 1.00 0.00 O ATOM 888 CB LEU A 58 -0.202 2.414 -3.648 1.00 0.00 C ATOM 889 CG LEU A 58 -0.818 2.989 -2.372 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.595 4.488 -2.256 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.308 2.704 -2.364 1.00 0.00 C ATOM 0 H LEU A 58 0.869 1.652 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 58 0.871 4.153 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.960 2.445 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.026 1.364 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.330 2.512 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.049 4.853 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.475 4.697 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.050 4.991 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.752 3.112 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.772 3.168 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.473 1.627 -2.396 1.00 0.00 H new ATOM 903 N PHE A 59 2.880 1.775 -3.244 1.00 0.00 N ATOM 904 CA PHE A 59 4.139 1.565 -2.530 1.00 0.00 C ATOM 905 C PHE A 59 5.184 2.580 -2.995 1.00 0.00 C ATOM 906 O PHE A 59 5.768 3.294 -2.182 1.00 0.00 O ATOM 907 CB PHE A 59 4.646 0.132 -2.754 1.00 0.00 C ATOM 908 CG PHE A 59 6.081 -0.091 -2.353 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.444 -0.159 -1.019 1.00 0.00 C ATOM 910 CD2 PHE A 59 7.068 -0.239 -3.318 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.761 -0.362 -0.656 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.385 -0.442 -2.958 1.00 0.00 C ATOM 913 CZ PHE A 59 8.732 -0.504 -1.626 1.00 0.00 C ATOM 0 H PHE A 59 2.540 0.955 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 59 3.966 1.708 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.014 -0.556 -2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.533 -0.120 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.689 -0.052 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.802 -0.195 -4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.031 -0.410 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.143 -0.552 -3.720 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.762 -0.663 -1.342 1.00 0.00 H new ATOM 923 N LEU A 60 5.381 2.650 -4.309 1.00 0.00 N ATOM 924 CA LEU A 60 6.338 3.577 -4.918 1.00 0.00 C ATOM 925 C LEU A 60 6.093 5.010 -4.476 1.00 0.00 C ATOM 926 O LEU A 60 6.998 5.692 -3.993 1.00 0.00 O ATOM 927 CB LEU A 60 6.239 3.527 -6.439 1.00 0.00 C ATOM 928 CG LEU A 60 7.055 2.465 -7.145 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.541 2.709 -6.950 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.680 1.066 -6.693 1.00 0.00 C ATOM 0 H LEU A 60 4.884 2.068 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 60 7.329 3.264 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.192 3.383 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.537 4.500 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 60 6.826 2.536 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.108 1.934 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.806 3.684 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.777 2.684 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.290 0.336 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.853 0.971 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.627 0.884 -6.908 1.00 0.00 H new ATOM 942 N GLN A 61 4.869 5.466 -4.672 1.00 0.00 N ATOM 943 CA GLN A 61 4.503 6.831 -4.334 1.00 0.00 C ATOM 944 C GLN A 61 4.741 7.113 -2.853 1.00 0.00 C ATOM 945 O GLN A 61 5.201 8.198 -2.498 1.00 0.00 O ATOM 946 CB GLN A 61 3.049 7.115 -4.729 1.00 0.00 C ATOM 947 CG GLN A 61 2.032 6.573 -3.775 1.00 0.00 C ATOM 948 CD GLN A 61 0.637 7.056 -4.083 1.00 0.00 C ATOM 949 OE1 GLN A 61 -0.066 6.332 -4.928 1.00 0.00 O flip ATOM 950 NE2 GLN A 61 0.194 8.083 -3.566 1.00 0.00 N flip ATOM 0 H GLN A 61 4.109 4.910 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 61 5.143 7.505 -4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.912 8.193 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.864 6.692 -5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.052 5.484 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.299 6.866 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.771 8.616 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.750 8.400 -3.788 1.00 0.00 H new ATOM 959 N HIS A 62 4.465 6.136 -1.990 1.00 0.00 N ATOM 960 CA HIS A 62 4.731 6.307 -0.568 1.00 0.00 C ATOM 961 C HIS A 62 6.218 6.353 -0.332 1.00 0.00 C ATOM 962 O HIS A 62 6.684 7.117 0.500 1.00 0.00 O ATOM 963 CB HIS A 62 4.140 5.185 0.286 1.00 0.00 C ATOM 964 CG HIS A 62 4.079 5.549 1.719 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.861 4.959 2.675 1.00 0.00 N ATOM 966 CD2 HIS A 62 3.321 6.470 2.356 1.00 0.00 C ATOM 967 CE1 HIS A 62 4.587 5.497 3.834 1.00 0.00 C ATOM 968 NE2 HIS A 62 3.658 6.419 3.676 1.00 0.00 N ATOM 0 H HIS A 62 4.064 5.234 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 62 4.255 7.242 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.137 4.948 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.742 4.284 0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.588 7.122 1.905 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.049 5.229 4.773 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.259 6.996 4.416 1.00 0.00 H new ATOM 977 N ILE A 63 6.950 5.523 -1.056 1.00 0.00 N ATOM 978 CA ILE A 63 8.399 5.552 -1.004 1.00 0.00 C ATOM 979 C ILE A 63 8.889 6.965 -1.202 1.00 0.00 C ATOM 980 O ILE A 63 9.649 7.478 -0.396 1.00 0.00 O ATOM 981 CB ILE A 63 9.028 4.644 -2.062 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.787 3.198 -1.678 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.519 4.925 -2.211 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.485 2.786 -0.408 1.00 0.00 C ATOM 0 H ILE A 63 6.563 4.821 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 63 8.699 5.183 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 63 8.563 4.845 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.715 3.035 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.121 2.554 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.940 4.265 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.665 5.963 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.019 4.749 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.267 1.739 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.561 2.916 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.133 3.404 0.418 1.00 0.00 H new ATOM 996 N HIS A 64 8.381 7.599 -2.248 1.00 0.00 N ATOM 997 CA HIS A 64 8.726 8.974 -2.576 1.00 0.00 C ATOM 998 C HIS A 64 8.390 9.854 -1.403 1.00 0.00 C ATOM 999 O HIS A 64 9.179 10.699 -1.019 1.00 0.00 O ATOM 1000 CB HIS A 64 7.941 9.403 -3.834 1.00 0.00 C ATOM 1001 CG HIS A 64 7.808 10.871 -4.057 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.474 11.695 -3.048 1.00 0.00 N ATOM 1003 CD2 HIS A 64 7.999 11.655 -5.144 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.473 12.940 -3.461 1.00 0.00 C ATOM 1005 NE2 HIS A 64 7.782 12.952 -4.743 1.00 0.00 N ATOM 0 H HIS A 64 7.717 7.174 -2.895 1.00 0.00 H new ATOM 0 HA HIS A 64 9.792 9.064 -2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.427 8.966 -4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.941 8.973 -3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.270 11.325 -6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.256 13.807 -2.855 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.848 13.780 -5.335 1.00 0.00 H new ATOM 1014 N ARG A 65 7.182 9.722 -0.912 1.00 0.00 N ATOM 1015 CA ARG A 65 6.750 10.458 0.249 1.00 0.00 C ATOM 1016 C ARG A 65 7.725 10.331 1.411 1.00 0.00 C ATOM 1017 O ARG A 65 8.204 11.325 1.952 1.00 0.00 O ATOM 1018 CB ARG A 65 5.416 9.956 0.593 1.00 0.00 C ATOM 1019 CG ARG A 65 4.479 10.297 -0.479 1.00 0.00 C ATOM 1020 CD ARG A 65 3.236 9.515 -0.369 1.00 0.00 C ATOM 1021 NE ARG A 65 2.306 10.078 0.612 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.092 9.589 0.861 1.00 0.00 C ATOM 1023 NH1 ARG A 65 0.618 8.581 0.140 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.339 10.127 1.814 1.00 0.00 N ATOM 0 H ARG A 65 6.473 9.103 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 65 6.715 11.525 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.447 8.876 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.083 10.392 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.247 11.361 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.945 10.110 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.750 9.472 -1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.479 8.490 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 65 2.607 10.898 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.183 8.178 -0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.312 8.209 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.690 10.916 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.590 9.751 2.003 1.00 0.00 H new ATOM 1038 N LEU A 66 8.004 9.088 1.762 1.00 0.00 N ATOM 1039 CA LEU A 66 9.052 8.728 2.723 1.00 0.00 C ATOM 1040 C LEU A 66 10.347 9.453 2.412 1.00 0.00 C ATOM 1041 O LEU A 66 11.000 10.021 3.285 1.00 0.00 O ATOM 1042 CB LEU A 66 9.286 7.223 2.642 1.00 0.00 C ATOM 1043 CG LEU A 66 8.074 6.394 2.973 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.307 4.934 2.645 1.00 0.00 C ATOM 1045 CD2 LEU A 66 7.736 6.562 4.430 1.00 0.00 C ATOM 0 H LEU A 66 7.505 8.282 1.386 1.00 0.00 H new ATOM 0 HA LEU A 66 8.731 9.016 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.621 6.972 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.094 6.955 3.323 1.00 0.00 H new ATOM 0 HG LEU A 66 7.236 6.738 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.416 4.358 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.521 4.830 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.153 4.562 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.858 5.962 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.578 6.234 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.526 7.612 4.636 1.00 0.00 H new ATOM 1057 N LYS A 67 10.703 9.389 1.152 1.00 0.00 N ATOM 1058 CA LYS A 67 11.866 10.051 0.612 1.00 0.00 C ATOM 1059 C LYS A 67 11.823 11.553 0.837 1.00 0.00 C ATOM 1060 O LYS A 67 12.743 12.143 1.397 1.00 0.00 O ATOM 1061 CB LYS A 67 11.902 9.750 -0.880 1.00 0.00 C ATOM 1062 CG LYS A 67 12.174 8.312 -1.164 1.00 0.00 C ATOM 1063 CD LYS A 67 12.639 8.068 -2.578 1.00 0.00 C ATOM 1064 CE LYS A 67 11.883 8.896 -3.594 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.218 8.489 -4.984 1.00 0.00 N ATOM 0 H LYS A 67 10.178 8.861 0.455 1.00 0.00 H new ATOM 0 HA LYS A 67 12.760 9.685 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.949 10.032 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.670 10.362 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.932 7.947 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.269 7.734 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.703 8.295 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.521 7.011 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.811 8.786 -3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.120 9.951 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.683 9.076 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.237 8.617 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.968 7.489 -5.123 1.00 0.00 H new