USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 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 -25:sc= -2.29! USER MOD Set 1.2: A 37 MET CE :methyl 178:sc= -1.22 (180deg=-1.22) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 43 TYR OH : rot -148:sc= 1.35 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -9! C(o=-9.1!,f=-9.1!) USER MOD Set 3.2: A 27 ASN : amide:sc= -0.106 X(o=-9.1,f=-8.9) USER MOD Single : A 10 THR OG1 : rot -25:sc= 0.172 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.05) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -2.93! (180deg=-4.71!) USER MOD Single : A 20 SER OG : rot 5:sc= -0.335! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.09! C(o=-3.1!,f=-6.1!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00743 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0834 (180deg=-0.382) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.959 F(o=-2.5!,f=-0.96) USER MOD Single : A 40 SER OG : rot 160:sc= 0.309 USER MOD Single : A 44 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 61:sc= 0.113 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 0.385 (180deg=0.129) USER MOD Single : A 56 LYS NZ :NH3+ -139:sc= -0.0325 (180deg=-0.35) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.9!) USER MOD Single : A 62 HIS : no HE2:sc= -9.33! C(o=-9.3!,f=-10!) USER MOD Single : A 64 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-5.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 10 -11.184 3.984 2.134 1.00 0.00 N ATOM 76 CA THR A 10 -10.588 3.576 3.403 1.00 0.00 C ATOM 77 C THR A 10 -9.628 2.391 3.269 1.00 0.00 C ATOM 78 O THR A 10 -8.698 2.259 4.067 1.00 0.00 O ATOM 79 CB THR A 10 -11.680 3.230 4.425 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.604 2.294 3.854 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.427 4.483 4.856 1.00 0.00 C ATOM 0 HA THR A 10 -10.004 4.429 3.748 1.00 0.00 H new ATOM 0 HB THR A 10 -11.205 2.786 5.300 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.593 2.378 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.197 4.217 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.728 5.185 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.892 4.947 3.986 1.00 0.00 H new ATOM 89 N ALA A 11 -9.847 1.528 2.282 1.00 0.00 N ATOM 90 CA ALA A 11 -8.933 0.417 2.046 1.00 0.00 C ATOM 91 C ALA A 11 -7.605 0.942 1.545 1.00 0.00 C ATOM 92 O ALA A 11 -6.555 0.517 2.002 1.00 0.00 O ATOM 93 CB ALA A 11 -9.506 -0.583 1.057 1.00 0.00 C ATOM 0 H ALA A 11 -10.639 1.575 1.641 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.787 -0.103 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.795 -1.396 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.441 -0.986 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.694 -0.086 0.105 1.00 0.00 H new ATOM 99 N LYS A 12 -7.662 1.885 0.611 1.00 0.00 N ATOM 100 CA LYS A 12 -6.454 2.521 0.102 1.00 0.00 C ATOM 101 C LYS A 12 -5.809 3.335 1.201 1.00 0.00 C ATOM 102 O LYS A 12 -4.602 3.298 1.390 1.00 0.00 O ATOM 103 CB LYS A 12 -6.768 3.422 -1.091 1.00 0.00 C ATOM 104 CG LYS A 12 -5.538 4.124 -1.643 1.00 0.00 C ATOM 105 CD LYS A 12 -5.804 4.757 -2.996 1.00 0.00 C ATOM 106 CE LYS A 12 -4.583 5.512 -3.500 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.350 6.774 -2.744 1.00 0.00 N ATOM 0 H LYS A 12 -8.528 2.224 0.193 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.769 1.741 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.224 2.825 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.503 4.169 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.213 4.892 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.721 3.408 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.079 3.984 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.651 5.439 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.704 4.873 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.711 5.742 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.618 7.336 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.234 7.321 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.035 6.548 -1.779 1.00 0.00 H new ATOM 121 N ASP A 13 -6.650 4.065 1.909 1.00 0.00 N ATOM 122 CA ASP A 13 -6.243 4.848 3.070 1.00 0.00 C ATOM 123 C ASP A 13 -5.441 3.994 4.049 1.00 0.00 C ATOM 124 O ASP A 13 -4.286 4.298 4.368 1.00 0.00 O ATOM 125 CB ASP A 13 -7.502 5.380 3.766 1.00 0.00 C ATOM 126 CG ASP A 13 -7.197 6.208 4.995 1.00 0.00 C ATOM 127 OD1 ASP A 13 -7.047 7.439 4.868 1.00 0.00 O ATOM 128 OD2 ASP A 13 -7.131 5.631 6.099 1.00 0.00 O ATOM 0 H ASP A 13 -7.645 4.135 1.696 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.611 5.673 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.072 5.985 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.135 4.540 4.050 1.00 0.00 H new ATOM 133 N LYS A 14 -6.050 2.913 4.510 1.00 0.00 N ATOM 134 CA LYS A 14 -5.406 2.043 5.465 1.00 0.00 C ATOM 135 C LYS A 14 -4.229 1.329 4.817 1.00 0.00 C ATOM 136 O LYS A 14 -3.188 1.188 5.437 1.00 0.00 O ATOM 137 CB LYS A 14 -6.405 1.040 6.031 1.00 0.00 C ATOM 138 CG LYS A 14 -6.089 0.617 7.453 1.00 0.00 C ATOM 139 CD LYS A 14 -7.293 -0.018 8.139 1.00 0.00 C ATOM 140 CE LYS A 14 -8.356 1.008 8.531 1.00 0.00 C ATOM 141 NZ LYS A 14 -9.040 1.615 7.354 1.00 0.00 N ATOM 0 H LYS A 14 -6.988 2.622 4.235 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.028 2.647 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.403 1.476 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.425 0.157 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.261 -0.091 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.761 1.485 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.736 -0.759 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.960 -0.549 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.099 0.528 9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.891 1.798 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.008 1.889 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.514 2.457 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.076 0.923 6.578 1.00 0.00 H new ATOM 155 N TYR A 15 -4.393 0.911 3.562 1.00 0.00 N ATOM 156 CA TYR A 15 -3.311 0.270 2.813 1.00 0.00 C ATOM 157 C TYR A 15 -2.095 1.182 2.740 1.00 0.00 C ATOM 158 O TYR A 15 -0.954 0.732 2.852 1.00 0.00 O ATOM 159 CB TYR A 15 -3.752 -0.088 1.391 1.00 0.00 C ATOM 160 CG TYR A 15 -2.640 -0.695 0.570 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.271 -2.018 0.760 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.950 0.054 -0.383 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.245 -2.581 0.032 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.926 -0.507 -1.117 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.579 -1.824 -0.903 1.00 0.00 C ATOM 166 OH TYR A 15 0.443 -2.383 -1.624 1.00 0.00 O ATOM 0 H TYR A 15 -5.265 1.005 3.042 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.051 -0.646 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.586 -0.788 1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.118 0.809 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.796 -2.617 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.221 1.086 -0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.966 -3.611 0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.400 0.081 -1.854 1.00 0.00 H new ATOM 0 HH TYR A 15 0.831 -3.127 -1.118 1.00 0.00 H new ATOM 176 N GLU A 16 -2.350 2.461 2.531 1.00 0.00 N ATOM 177 CA GLU A 16 -1.331 3.454 2.519 1.00 0.00 C ATOM 178 C GLU A 16 -0.608 3.505 3.865 1.00 0.00 C ATOM 179 O GLU A 16 0.616 3.698 3.913 1.00 0.00 O ATOM 180 CB GLU A 16 -1.986 4.772 2.134 1.00 0.00 C ATOM 181 CG GLU A 16 -1.826 5.084 0.660 1.00 0.00 C ATOM 182 CD GLU A 16 -2.143 6.520 0.304 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.325 7.409 0.624 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.204 6.770 -0.310 1.00 0.00 O ATOM 0 H GLU A 16 -3.287 2.827 2.364 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.556 3.222 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.047 4.734 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.549 5.578 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.802 4.862 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.476 4.425 0.085 1.00 0.00 H new ATOM 191 N TRP A 17 -1.335 3.282 4.963 1.00 0.00 N ATOM 192 CA TRP A 17 -0.663 3.100 6.235 1.00 0.00 C ATOM 193 C TRP A 17 0.048 1.774 6.242 1.00 0.00 C ATOM 194 O TRP A 17 1.155 1.681 6.736 1.00 0.00 O ATOM 195 CB TRP A 17 -1.604 3.144 7.429 1.00 0.00 C ATOM 196 CG TRP A 17 -1.067 2.397 8.609 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.048 2.656 9.304 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.622 1.241 9.183 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.205 1.751 10.318 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.828 0.871 10.268 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.723 0.511 8.881 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -1.129 -0.220 11.064 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -3.034 -0.584 9.659 1.00 0.00 C ATOM 204 CH2 TRP A 17 -2.236 -0.934 10.747 1.00 0.00 C ATOM 0 H TRP A 17 -2.353 3.226 4.992 1.00 0.00 H new ATOM 0 HA TRP A 17 0.034 3.932 6.335 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.781 4.182 7.710 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.568 2.722 7.144 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.729 3.467 9.093 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.967 1.739 10.995 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.348 0.783 8.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.507 -0.491 11.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.905 -1.177 9.423 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.505 -1.790 11.348 1.00 0.00 H new ATOM 215 N LEU A 18 -0.591 0.745 5.712 1.00 0.00 N ATOM 216 CA LEU A 18 0.000 -0.578 5.728 1.00 0.00 C ATOM 217 C LEU A 18 1.419 -0.504 5.160 1.00 0.00 C ATOM 218 O LEU A 18 2.375 -1.007 5.753 1.00 0.00 O ATOM 219 CB LEU A 18 -0.829 -1.586 4.905 1.00 0.00 C ATOM 220 CG LEU A 18 -1.901 -2.397 5.647 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.251 -3.432 6.546 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.806 -1.497 6.453 1.00 0.00 C ATOM 0 H LEU A 18 -1.509 0.800 5.270 1.00 0.00 H new ATOM 0 HA LEU A 18 0.020 -0.926 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.319 -1.040 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.138 -2.289 4.440 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.511 -2.909 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.023 -3.999 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.647 -4.110 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.615 -2.932 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.555 -2.100 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.215 -0.949 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.303 -0.791 5.788 1.00 0.00 H new ATOM 234 N VAL A 19 1.543 0.159 4.013 1.00 0.00 N ATOM 235 CA VAL A 19 2.851 0.423 3.418 1.00 0.00 C ATOM 236 C VAL A 19 3.754 1.187 4.381 1.00 0.00 C ATOM 237 O VAL A 19 4.914 0.842 4.529 1.00 0.00 O ATOM 238 CB VAL A 19 2.760 1.200 2.081 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.137 1.664 1.632 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.168 0.332 0.998 1.00 0.00 C ATOM 0 H VAL A 19 0.755 0.523 3.477 1.00 0.00 H new ATOM 0 HA VAL A 19 3.282 -0.556 3.209 1.00 0.00 H new ATOM 0 HB VAL A 19 2.119 2.065 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.049 2.207 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.565 2.319 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.785 0.799 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.113 0.897 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.796 -0.547 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.166 0.017 1.291 1.00 0.00 H new ATOM 250 N SER A 20 3.236 2.217 5.043 1.00 0.00 N ATOM 251 CA SER A 20 4.056 2.973 5.989 1.00 0.00 C ATOM 252 C SER A 20 4.361 2.161 7.244 1.00 0.00 C ATOM 253 O SER A 20 5.359 2.400 7.926 1.00 0.00 O ATOM 254 CB SER A 20 3.387 4.297 6.360 1.00 0.00 C ATOM 255 OG SER A 20 2.098 4.108 6.906 1.00 0.00 O ATOM 0 H SER A 20 2.274 2.544 4.947 1.00 0.00 H new ATOM 0 HA SER A 20 5.002 3.190 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.010 4.828 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.316 4.927 5.474 1.00 0.00 H new ATOM 0 HG SER A 20 1.926 3.149 7.015 1.00 0.00 H new ATOM 261 N ARG A 21 3.511 1.190 7.535 1.00 0.00 N ATOM 262 CA ARG A 21 3.656 0.378 8.702 1.00 0.00 C ATOM 263 C ARG A 21 4.701 -0.704 8.449 1.00 0.00 C ATOM 264 O ARG A 21 5.251 -1.295 9.380 1.00 0.00 O ATOM 265 CB ARG A 21 2.297 -0.197 9.106 1.00 0.00 C ATOM 266 CG ARG A 21 2.129 -1.618 8.726 1.00 0.00 C ATOM 267 CD ARG A 21 0.881 -2.214 9.346 1.00 0.00 C ATOM 268 NE ARG A 21 0.771 -3.661 9.160 1.00 0.00 N ATOM 269 CZ ARG A 21 0.011 -4.440 9.931 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.556 -3.940 11.021 1.00 0.00 N ATOM 271 NH2 ARG A 21 -0.142 -5.724 9.645 1.00 0.00 N ATOM 0 H ARG A 21 2.704 0.953 6.959 1.00 0.00 H new ATOM 0 HA ARG A 21 4.011 0.980 9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.174 -0.099 10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.507 0.393 8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.073 -1.701 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.002 -2.187 9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.873 -1.991 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.004 -1.732 8.913 1.00 0.00 H new ATOM 0 HE ARG A 21 1.301 -4.095 8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.410 -2.961 11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.138 -4.534 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.323 -6.124 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.725 -6.313 10.240 1.00 0.00 H new ATOM 285 N ILE A 22 4.975 -0.935 7.175 1.00 0.00 N ATOM 286 CA ILE A 22 6.003 -1.880 6.752 1.00 0.00 C ATOM 287 C ILE A 22 7.234 -1.137 6.241 1.00 0.00 C ATOM 288 O ILE A 22 8.293 -1.141 6.872 1.00 0.00 O ATOM 289 CB ILE A 22 5.482 -2.809 5.640 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.277 -3.595 6.138 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.575 -3.758 5.167 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.565 -4.472 7.332 1.00 0.00 C ATOM 0 H ILE A 22 4.493 -0.474 6.403 1.00 0.00 H new ATOM 0 HA ILE A 22 6.270 -2.482 7.621 1.00 0.00 H new ATOM 0 HB ILE A 22 5.178 -2.194 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.482 -2.896 6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.901 -4.217 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.182 -4.403 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.414 -3.181 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.913 -4.369 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.656 -4.998 7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.336 -5.197 7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.911 -3.855 8.162 1.00 0.00 H new ATOM 304 N VAL A 23 7.069 -0.503 5.090 1.00 0.00 N ATOM 305 CA VAL A 23 8.105 0.289 4.454 1.00 0.00 C ATOM 306 C VAL A 23 8.381 1.577 5.228 1.00 0.00 C ATOM 307 O VAL A 23 7.524 2.458 5.330 1.00 0.00 O ATOM 308 CB VAL A 23 7.669 0.622 3.022 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.752 1.406 2.310 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.342 -0.653 2.268 1.00 0.00 C ATOM 0 H VAL A 23 6.195 -0.526 4.564 1.00 0.00 H new ATOM 0 HA VAL A 23 9.028 -0.291 4.441 1.00 0.00 H new ATOM 0 HB VAL A 23 6.772 1.240 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.428 1.635 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.942 2.335 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.666 0.813 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.033 -0.406 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.224 -1.292 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.533 -1.178 2.775 1.00 0.00 H new ATOM 320 N LYS A 24 9.593 1.678 5.757 1.00 0.00 N ATOM 321 CA LYS A 24 9.988 2.800 6.591 1.00 0.00 C ATOM 322 C LYS A 24 11.000 3.689 5.868 1.00 0.00 C ATOM 323 O LYS A 24 10.752 4.871 5.627 1.00 0.00 O ATOM 324 CB LYS A 24 10.603 2.273 7.877 1.00 0.00 C ATOM 325 CG LYS A 24 10.572 3.250 9.000 1.00 0.00 C ATOM 326 CD LYS A 24 9.170 3.681 9.293 1.00 0.00 C ATOM 327 CE LYS A 24 9.181 4.817 10.283 1.00 0.00 C ATOM 328 NZ LYS A 24 7.865 5.498 10.383 1.00 0.00 N ATOM 0 H LYS A 24 10.328 0.984 5.619 1.00 0.00 H new ATOM 0 HA LYS A 24 9.104 3.398 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.073 1.369 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.637 1.987 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.012 2.801 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.179 4.120 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.676 3.993 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.599 2.843 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.465 4.437 11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.940 5.542 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.926 6.271 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.603 5.886 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.143 4.815 10.689 1.00 0.00 H new ATOM 342 N ASN A 25 12.141 3.104 5.519 1.00 0.00 N ATOM 343 CA ASN A 25 13.240 3.852 4.895 1.00 0.00 C ATOM 344 C ASN A 25 13.181 3.803 3.365 1.00 0.00 C ATOM 345 O ASN A 25 14.132 4.208 2.700 1.00 0.00 O ATOM 346 CB ASN A 25 14.596 3.312 5.369 1.00 0.00 C ATOM 347 CG ASN A 25 14.873 1.911 4.871 1.00 0.00 C ATOM 348 OD1 ASN A 25 15.430 1.723 3.793 1.00 0.00 O ATOM 349 ND2 ASN A 25 14.512 0.919 5.655 1.00 0.00 N ATOM 0 H ASN A 25 12.334 2.112 5.656 1.00 0.00 H new ATOM 0 HA ASN A 25 13.127 4.891 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.388 3.978 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.624 3.318 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.693 -0.045 5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.051 1.113 6.544 1.00 0.00 H new ATOM 356 N HIS A 26 12.070 3.288 2.834 1.00 0.00 N ATOM 357 CA HIS A 26 11.765 3.236 1.388 1.00 0.00 C ATOM 358 C HIS A 26 12.704 2.345 0.572 1.00 0.00 C ATOM 359 O HIS A 26 12.397 2.022 -0.575 1.00 0.00 O ATOM 360 CB HIS A 26 11.690 4.643 0.750 1.00 0.00 C ATOM 361 CG HIS A 26 12.998 5.286 0.394 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.306 6.547 0.803 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.078 4.845 -0.302 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.525 6.861 0.396 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.013 5.846 -0.276 1.00 0.00 N ATOM 0 H HIS A 26 11.331 2.882 3.408 1.00 0.00 H new ATOM 0 HA HIS A 26 10.779 2.773 1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.085 4.576 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.162 5.302 1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.180 3.885 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.033 7.795 0.585 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.936 5.808 -0.708 1.00 0.00 H new ATOM 374 N ASN A 27 13.837 1.954 1.129 1.00 0.00 N ATOM 375 CA ASN A 27 14.820 1.184 0.373 1.00 0.00 C ATOM 376 C ASN A 27 14.457 -0.295 0.350 1.00 0.00 C ATOM 377 O ASN A 27 15.309 -1.166 0.179 1.00 0.00 O ATOM 378 CB ASN A 27 16.224 1.402 0.936 1.00 0.00 C ATOM 379 CG ASN A 27 16.982 2.477 0.208 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.645 2.205 -0.791 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.902 3.702 0.681 1.00 0.00 N ATOM 0 H ASN A 27 14.101 2.153 2.094 1.00 0.00 H new ATOM 0 HA ASN A 27 14.812 1.540 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.151 1.666 1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.783 0.468 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.399 4.462 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.342 3.892 1.512 1.00 0.00 H new ATOM 388 N GLU A 28 13.174 -0.555 0.528 1.00 0.00 N ATOM 389 CA GLU A 28 12.613 -1.885 0.419 1.00 0.00 C ATOM 390 C GLU A 28 12.345 -2.225 -1.040 1.00 0.00 C ATOM 391 O GLU A 28 12.478 -1.379 -1.924 1.00 0.00 O ATOM 392 CB GLU A 28 11.298 -1.962 1.196 1.00 0.00 C ATOM 393 CG GLU A 28 11.458 -2.057 2.705 1.00 0.00 C ATOM 394 CD GLU A 28 12.284 -0.938 3.297 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.763 0.189 3.437 1.00 0.00 O ATOM 396 OE2 GLU A 28 13.454 -1.189 3.646 1.00 0.00 O ATOM 0 H GLU A 28 12.486 0.163 0.755 1.00 0.00 H new ATOM 0 HA GLU A 28 13.328 -2.596 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.701 -1.080 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.736 -2.829 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.471 -2.053 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.923 -3.011 2.953 1.00 0.00 H new ATOM 403 N ASN A 29 11.955 -3.462 -1.276 1.00 0.00 N ATOM 404 CA ASN A 29 11.580 -3.905 -2.609 1.00 0.00 C ATOM 405 C ASN A 29 10.151 -4.420 -2.596 1.00 0.00 C ATOM 406 O ASN A 29 9.834 -5.345 -1.847 1.00 0.00 O ATOM 407 CB ASN A 29 12.539 -4.981 -3.113 1.00 0.00 C ATOM 408 CG ASN A 29 13.846 -4.398 -3.609 1.00 0.00 C ATOM 409 OD1 ASN A 29 13.968 -4.037 -4.779 1.00 0.00 O ATOM 410 ND2 ASN A 29 14.833 -4.307 -2.733 1.00 0.00 N ATOM 0 H ASN A 29 11.889 -4.184 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 29 11.643 -3.058 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.741 -5.690 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.064 -5.540 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.735 -3.926 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.692 -4.617 -1.772 1.00 0.00 H new ATOM 417 N TRP A 30 9.308 -3.808 -3.435 1.00 0.00 N ATOM 418 CA TRP A 30 7.856 -4.029 -3.436 1.00 0.00 C ATOM 419 C TRP A 30 7.444 -5.480 -3.212 1.00 0.00 C ATOM 420 O TRP A 30 6.634 -5.762 -2.338 1.00 0.00 O ATOM 421 CB TRP A 30 7.247 -3.532 -4.739 1.00 0.00 C ATOM 422 CG TRP A 30 5.917 -4.123 -4.988 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.601 -4.925 -6.009 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.754 -4.003 -4.177 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.285 -5.302 -5.931 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.740 -4.748 -4.802 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.472 -3.332 -2.991 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.457 -4.839 -4.280 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.207 -3.423 -2.472 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.208 -4.170 -3.113 1.00 0.00 C ATOM 0 H TRP A 30 9.617 -3.138 -4.140 1.00 0.00 H new ATOM 0 HA TRP A 30 7.475 -3.461 -2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.161 -2.446 -4.708 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.913 -3.776 -5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.285 -5.233 -6.786 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.794 -5.895 -6.600 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.233 -2.752 -2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.688 -5.414 -4.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.975 -2.909 -1.551 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.221 -4.218 -2.676 1.00 0.00 H new ATOM 441 N LEU A 31 7.991 -6.383 -3.988 1.00 0.00 N ATOM 442 CA LEU A 31 7.541 -7.752 -3.991 1.00 0.00 C ATOM 443 C LEU A 31 7.672 -8.378 -2.615 1.00 0.00 C ATOM 444 O LEU A 31 6.753 -9.016 -2.117 1.00 0.00 O ATOM 445 CB LEU A 31 8.345 -8.522 -5.010 1.00 0.00 C ATOM 446 CG LEU A 31 8.048 -8.163 -6.462 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.570 -8.335 -6.773 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.518 -6.758 -6.830 1.00 0.00 C ATOM 0 H LEU A 31 8.758 -6.190 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 31 6.484 -7.783 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.405 -8.354 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.160 -9.587 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 31 8.619 -8.858 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.384 -8.073 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.281 -9.372 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.984 -7.684 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.281 -6.557 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.014 -6.028 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.595 -6.684 -6.682 1.00 0.00 H new ATOM 460 N SER A 32 8.822 -8.184 -2.014 1.00 0.00 N ATOM 461 CA SER A 32 9.083 -8.656 -0.664 1.00 0.00 C ATOM 462 C SER A 32 8.319 -7.865 0.407 1.00 0.00 C ATOM 463 O SER A 32 8.009 -8.406 1.462 1.00 0.00 O ATOM 464 CB SER A 32 10.568 -8.592 -0.375 1.00 0.00 C ATOM 465 OG SER A 32 11.326 -8.962 -1.516 1.00 0.00 O ATOM 0 H SER A 32 9.607 -7.695 -2.443 1.00 0.00 H new ATOM 0 HA SER A 32 8.729 -9.686 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.839 -7.582 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.809 -9.255 0.456 1.00 0.00 H new ATOM 0 HG SER A 32 12.282 -8.911 -1.305 1.00 0.00 H new ATOM 471 N VAL A 33 8.025 -6.587 0.179 1.00 0.00 N ATOM 472 CA VAL A 33 7.224 -5.856 1.148 1.00 0.00 C ATOM 473 C VAL A 33 5.758 -6.229 1.001 1.00 0.00 C ATOM 474 O VAL A 33 4.998 -6.163 1.957 1.00 0.00 O ATOM 475 CB VAL A 33 7.403 -4.324 1.081 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.468 -3.878 2.063 1.00 0.00 C ATOM 477 CG2 VAL A 33 7.771 -3.873 -0.295 1.00 0.00 C ATOM 0 H VAL A 33 8.319 -6.054 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 33 7.587 -6.154 2.132 1.00 0.00 H new ATOM 0 HB VAL A 33 6.448 -3.870 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.585 -2.796 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.171 -4.158 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.415 -4.359 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.889 -2.789 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.709 -4.342 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.985 -4.158 -0.994 1.00 0.00 H new ATOM 487 N SER A 34 5.383 -6.625 -0.202 1.00 0.00 N ATOM 488 CA SER A 34 4.095 -7.250 -0.454 1.00 0.00 C ATOM 489 C SER A 34 4.086 -8.645 0.156 1.00 0.00 C ATOM 490 O SER A 34 3.087 -9.089 0.713 1.00 0.00 O ATOM 491 CB SER A 34 3.864 -7.313 -1.968 1.00 0.00 C ATOM 492 OG SER A 34 3.066 -8.421 -2.340 1.00 0.00 O ATOM 0 H SER A 34 5.964 -6.522 -1.034 1.00 0.00 H new ATOM 0 HA SER A 34 3.292 -6.670 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.383 -6.393 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.825 -7.372 -2.479 1.00 0.00 H new ATOM 0 HG SER A 34 2.942 -8.423 -3.312 1.00 0.00 H new ATOM 498 N ARG A 35 5.219 -9.316 0.032 1.00 0.00 N ATOM 499 CA ARG A 35 5.469 -10.593 0.669 1.00 0.00 C ATOM 500 C ARG A 35 5.148 -10.513 2.153 1.00 0.00 C ATOM 501 O ARG A 35 4.442 -11.346 2.714 1.00 0.00 O ATOM 502 CB ARG A 35 6.934 -10.905 0.488 1.00 0.00 C ATOM 503 CG ARG A 35 7.261 -12.330 0.634 1.00 0.00 C ATOM 504 CD ARG A 35 6.773 -13.123 -0.558 1.00 0.00 C ATOM 505 NE ARG A 35 6.710 -14.556 -0.288 1.00 0.00 N ATOM 506 CZ ARG A 35 5.948 -15.414 -0.969 1.00 0.00 C ATOM 507 NH1 ARG A 35 4.995 -14.977 -1.785 1.00 0.00 N ATOM 508 NH2 ARG A 35 6.098 -16.716 -0.781 1.00 0.00 N ATOM 0 H ARG A 35 6.004 -8.980 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 35 4.843 -11.368 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.248 -10.570 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.510 -10.334 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.339 -12.450 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.807 -12.720 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.784 -12.767 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.436 -12.945 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 35 7.285 -14.925 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.839 -13.975 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.419 -15.643 -2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.793 -17.059 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.518 -17.376 -1.299 1.00 0.00 H new ATOM 522 N LYS A 36 5.733 -9.516 2.773 1.00 0.00 N ATOM 523 CA LYS A 36 5.431 -9.124 4.135 1.00 0.00 C ATOM 524 C LYS A 36 3.958 -8.784 4.314 1.00 0.00 C ATOM 525 O LYS A 36 3.214 -9.449 5.041 1.00 0.00 O ATOM 526 CB LYS A 36 6.262 -7.892 4.451 1.00 0.00 C ATOM 527 CG LYS A 36 7.735 -8.163 4.414 1.00 0.00 C ATOM 528 CD LYS A 36 8.538 -7.025 4.937 1.00 0.00 C ATOM 529 CE LYS A 36 10.011 -7.373 4.960 1.00 0.00 C ATOM 530 NZ LYS A 36 10.513 -7.847 3.644 1.00 0.00 N ATOM 0 H LYS A 36 6.451 -8.938 2.336 1.00 0.00 H new ATOM 0 HA LYS A 36 5.662 -9.954 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.024 -7.105 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.990 -7.519 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.952 -9.056 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.036 -8.375 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.377 -6.144 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.204 -6.770 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.582 -6.496 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.185 -8.145 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.553 -7.860 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.156 -8.807 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.182 -7.206 2.895 1.00 0.00 H new ATOM 544 N MET A 37 3.583 -7.721 3.638 1.00 0.00 N ATOM 545 CA MET A 37 2.246 -7.119 3.732 1.00 0.00 C ATOM 546 C MET A 37 1.086 -8.083 3.473 1.00 0.00 C ATOM 547 O MET A 37 -0.016 -7.840 3.957 1.00 0.00 O ATOM 548 CB MET A 37 2.131 -5.925 2.779 1.00 0.00 C ATOM 549 CG MET A 37 2.561 -4.612 3.411 1.00 0.00 C ATOM 550 SD MET A 37 2.076 -3.162 2.450 1.00 0.00 S ATOM 551 CE MET A 37 3.084 -3.361 0.981 1.00 0.00 C ATOM 0 H MET A 37 4.202 -7.232 2.991 1.00 0.00 H new ATOM 0 HA MET A 37 2.153 -6.803 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.742 -6.113 1.896 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.099 -5.837 2.440 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.129 -4.539 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.644 -4.613 3.532 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.866 -2.557 0.278 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.138 -3.327 1.256 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.862 -4.321 0.514 1.00 0.00 H new ATOM 561 N GLN A 38 1.303 -9.163 2.726 1.00 0.00 N ATOM 562 CA GLN A 38 0.207 -10.065 2.371 1.00 0.00 C ATOM 563 C GLN A 38 -0.463 -10.652 3.606 1.00 0.00 C ATOM 564 O GLN A 38 -1.640 -11.004 3.580 1.00 0.00 O ATOM 565 CB GLN A 38 0.685 -11.176 1.432 1.00 0.00 C ATOM 566 CG GLN A 38 1.727 -12.118 2.019 1.00 0.00 C ATOM 567 CD GLN A 38 1.151 -13.228 2.872 1.00 0.00 C ATOM 568 OE1 GLN A 38 -0.050 -13.659 2.560 1.00 0.00 O flip ATOM 569 NE2 GLN A 38 1.793 -13.699 3.808 1.00 0.00 N flip ATOM 0 H GLN A 38 2.215 -9.434 2.358 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.539 -9.471 1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.179 -11.764 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.098 -10.718 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.300 -12.561 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.426 -11.538 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.723 -13.339 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.396 -14.450 4.372 1.00 0.00 H new ATOM 578 N ALA A 39 0.290 -10.730 4.686 1.00 0.00 N ATOM 579 CA ALA A 39 -0.216 -11.254 5.947 1.00 0.00 C ATOM 580 C ALA A 39 -1.035 -10.206 6.703 1.00 0.00 C ATOM 581 O ALA A 39 -1.175 -10.274 7.924 1.00 0.00 O ATOM 582 CB ALA A 39 0.943 -11.741 6.801 1.00 0.00 C ATOM 0 H ALA A 39 1.266 -10.434 4.718 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.880 -12.090 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.561 -12.132 7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.479 -12.529 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.621 -10.912 7.001 1.00 0.00 H new ATOM 588 N SER A 40 -1.562 -9.228 5.978 1.00 0.00 N ATOM 589 CA SER A 40 -2.394 -8.199 6.565 1.00 0.00 C ATOM 590 C SER A 40 -3.700 -8.062 5.783 1.00 0.00 C ATOM 591 O SER A 40 -3.701 -7.955 4.555 1.00 0.00 O ATOM 592 CB SER A 40 -1.647 -6.870 6.562 1.00 0.00 C ATOM 593 OG SER A 40 -0.333 -7.022 7.074 1.00 0.00 O ATOM 0 H SER A 40 -1.423 -9.130 4.972 1.00 0.00 H new ATOM 0 HA SER A 40 -2.629 -8.479 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.602 -6.477 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.192 -6.141 7.162 1.00 0.00 H new ATOM 0 HG SER A 40 0.223 -6.272 6.777 1.00 0.00 H new ATOM 599 N PRO A 41 -4.824 -8.078 6.518 1.00 0.00 N ATOM 600 CA PRO A 41 -6.182 -7.942 5.975 1.00 0.00 C ATOM 601 C PRO A 41 -6.336 -6.789 5.013 1.00 0.00 C ATOM 602 O PRO A 41 -6.971 -6.921 3.967 1.00 0.00 O ATOM 603 CB PRO A 41 -7.049 -7.674 7.211 1.00 0.00 C ATOM 604 CG PRO A 41 -6.109 -7.515 8.349 1.00 0.00 C ATOM 605 CD PRO A 41 -4.859 -8.243 7.970 1.00 0.00 C ATOM 0 HA PRO A 41 -6.453 -8.833 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.652 -6.776 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.739 -8.499 7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.903 -6.461 8.538 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.535 -7.925 9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.979 -7.814 8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.898 -9.294 8.258 1.00 0.00 H new ATOM 613 N GLU A 42 -5.766 -5.660 5.381 1.00 0.00 N ATOM 614 CA GLU A 42 -5.933 -4.447 4.600 1.00 0.00 C ATOM 615 C GLU A 42 -5.210 -4.534 3.262 1.00 0.00 C ATOM 616 O GLU A 42 -5.717 -4.058 2.242 1.00 0.00 O ATOM 617 CB GLU A 42 -5.479 -3.227 5.390 1.00 0.00 C ATOM 618 CG GLU A 42 -6.180 -3.087 6.731 1.00 0.00 C ATOM 619 CD GLU A 42 -7.692 -3.155 6.618 1.00 0.00 C ATOM 620 OE1 GLU A 42 -8.296 -2.240 6.019 1.00 0.00 O ATOM 621 OE2 GLU A 42 -8.286 -4.120 7.147 1.00 0.00 O ATOM 0 H GLU A 42 -5.185 -5.555 6.212 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.996 -4.338 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.403 -3.288 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.660 -2.330 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.835 -3.876 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.897 -2.138 7.186 1.00 0.00 H new ATOM 628 N TYR A 43 -4.038 -5.156 3.266 1.00 0.00 N ATOM 629 CA TYR A 43 -3.317 -5.414 2.031 1.00 0.00 C ATOM 630 C TYR A 43 -4.174 -6.274 1.107 1.00 0.00 C ATOM 631 O TYR A 43 -4.331 -5.969 -0.074 1.00 0.00 O ATOM 632 CB TYR A 43 -1.986 -6.114 2.329 1.00 0.00 C ATOM 633 CG TYR A 43 -1.312 -6.711 1.111 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.594 -8.012 0.719 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.408 -5.980 0.353 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.995 -8.573 -0.388 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.193 -6.532 -0.763 1.00 0.00 C ATOM 638 CZ TYR A 43 -0.106 -7.830 -1.126 1.00 0.00 C ATOM 639 OH TYR A 43 0.481 -8.381 -2.239 1.00 0.00 O ATOM 0 H TYR A 43 -3.570 -5.489 4.109 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.104 -4.466 1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.307 -5.397 2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.160 -6.905 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.297 -8.597 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.171 -4.966 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.223 -9.589 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.892 -5.952 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 43 1.382 -8.011 -2.351 1.00 0.00 H new ATOM 649 N GLN A 44 -4.729 -7.343 1.670 1.00 0.00 N ATOM 650 CA GLN A 44 -5.572 -8.275 0.927 1.00 0.00 C ATOM 651 C GLN A 44 -6.721 -7.553 0.255 1.00 0.00 C ATOM 652 O GLN A 44 -6.820 -7.508 -0.969 1.00 0.00 O ATOM 653 CB GLN A 44 -6.170 -9.305 1.871 1.00 0.00 C ATOM 654 CG GLN A 44 -5.155 -10.054 2.692 1.00 0.00 C ATOM 655 CD GLN A 44 -4.644 -11.304 2.003 1.00 0.00 C ATOM 656 OE1 GLN A 44 -5.220 -12.381 2.146 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.565 -11.170 1.253 1.00 0.00 N ATOM 0 H GLN A 44 -4.608 -7.588 2.653 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.943 -8.754 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.866 -8.804 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.750 -10.021 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.314 -9.396 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.600 -10.329 3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.118 -10.258 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.179 -11.979 0.766 1.00 0.00 H new ATOM 666 N ASP A 45 -7.581 -6.996 1.095 1.00 0.00 N ATOM 667 CA ASP A 45 -8.830 -6.374 0.656 1.00 0.00 C ATOM 668 C ASP A 45 -8.603 -5.358 -0.459 1.00 0.00 C ATOM 669 O ASP A 45 -9.274 -5.397 -1.487 1.00 0.00 O ATOM 670 CB ASP A 45 -9.529 -5.708 1.842 1.00 0.00 C ATOM 671 CG ASP A 45 -11.033 -5.619 1.660 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.735 -6.586 2.031 1.00 0.00 O ATOM 673 OD2 ASP A 45 -11.526 -4.584 1.173 1.00 0.00 O ATOM 0 H ASP A 45 -7.436 -6.961 2.104 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.466 -7.163 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.310 -6.270 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.124 -4.706 1.981 1.00 0.00 H new ATOM 678 N TYR A 46 -7.633 -4.476 -0.268 1.00 0.00 N ATOM 679 CA TYR A 46 -7.347 -3.429 -1.250 1.00 0.00 C ATOM 680 C TYR A 46 -6.792 -3.999 -2.538 1.00 0.00 C ATOM 681 O TYR A 46 -7.150 -3.548 -3.632 1.00 0.00 O ATOM 682 CB TYR A 46 -6.381 -2.389 -0.679 1.00 0.00 C ATOM 683 CG TYR A 46 -5.971 -1.337 -1.686 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.861 -0.349 -2.083 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.700 -1.339 -2.251 1.00 0.00 C ATOM 686 CE1 TYR A 46 -6.498 0.608 -3.010 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.330 -0.385 -3.179 1.00 0.00 C ATOM 688 CZ TYR A 46 -5.231 0.586 -3.555 1.00 0.00 C ATOM 689 OH TYR A 46 -4.868 1.541 -4.476 1.00 0.00 O ATOM 0 H TYR A 46 -7.030 -4.460 0.554 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.295 -2.942 -1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.848 -1.901 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.489 -2.896 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.854 -0.328 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.990 -2.099 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.203 1.370 -3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.339 -0.401 -3.608 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.943 1.386 -4.761 1.00 0.00 H new ATOM 699 N VAL A 47 -5.931 -4.987 -2.426 1.00 0.00 N ATOM 700 CA VAL A 47 -5.328 -5.560 -3.605 1.00 0.00 C ATOM 701 C VAL A 47 -6.336 -6.430 -4.353 1.00 0.00 C ATOM 702 O VAL A 47 -6.242 -6.618 -5.566 1.00 0.00 O ATOM 703 CB VAL A 47 -4.050 -6.358 -3.261 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.576 -7.190 -4.442 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.949 -5.412 -2.802 1.00 0.00 C ATOM 0 H VAL A 47 -5.637 -5.404 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.030 -4.741 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.292 -7.045 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.676 -7.737 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.356 -7.896 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.356 -6.534 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.053 -5.985 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.724 -4.703 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.281 -4.870 -1.916 1.00 0.00 H new ATOM 715 N TYR A 48 -7.317 -6.926 -3.620 1.00 0.00 N ATOM 716 CA TYR A 48 -8.418 -7.659 -4.193 1.00 0.00 C ATOM 717 C TYR A 48 -9.261 -6.731 -5.056 1.00 0.00 C ATOM 718 O TYR A 48 -9.539 -7.020 -6.220 1.00 0.00 O ATOM 719 CB TYR A 48 -9.241 -8.236 -3.049 1.00 0.00 C ATOM 720 CG TYR A 48 -10.677 -8.509 -3.386 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.059 -9.681 -4.012 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.648 -7.589 -3.049 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.389 -9.929 -4.305 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.982 -7.825 -3.328 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.348 -8.998 -3.956 1.00 0.00 C ATOM 726 OH TYR A 48 -14.673 -9.245 -4.234 1.00 0.00 O ATOM 0 H TYR A 48 -7.367 -6.828 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.057 -8.467 -4.829 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.777 -9.165 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.205 -7.544 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.310 -10.413 -4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.362 -6.670 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.675 -10.844 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.732 -7.097 -3.056 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.218 -8.492 -3.923 1.00 0.00 H new ATOM 736 N LEU A 49 -9.653 -5.614 -4.453 1.00 0.00 N ATOM 737 CA LEU A 49 -10.448 -4.586 -5.125 1.00 0.00 C ATOM 738 C LEU A 49 -9.775 -4.113 -6.390 1.00 0.00 C ATOM 739 O LEU A 49 -10.234 -4.359 -7.508 1.00 0.00 O ATOM 740 CB LEU A 49 -10.611 -3.356 -4.230 1.00 0.00 C ATOM 741 CG LEU A 49 -11.165 -3.613 -2.853 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.177 -2.329 -2.041 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.557 -4.195 -2.957 1.00 0.00 C ATOM 0 H LEU A 49 -9.429 -5.393 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.413 -5.040 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.638 -2.875 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.265 -2.646 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.526 -4.333 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.580 -2.530 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.160 -1.947 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.800 -1.588 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.951 -4.378 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.207 -3.493 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.518 -5.134 -3.509 1.00 0.00 H new ATOM 755 N GLU A 50 -8.689 -3.407 -6.178 1.00 0.00 N ATOM 756 CA GLU A 50 -8.040 -2.667 -7.206 1.00 0.00 C ATOM 757 C GLU A 50 -6.949 -3.485 -7.908 1.00 0.00 C ATOM 758 O GLU A 50 -6.987 -3.662 -9.127 1.00 0.00 O ATOM 759 CB GLU A 50 -7.480 -1.434 -6.532 1.00 0.00 C ATOM 760 CG GLU A 50 -6.532 -0.665 -7.377 1.00 0.00 C ATOM 761 CD GLU A 50 -7.227 0.244 -8.374 1.00 0.00 C ATOM 762 OE1 GLU A 50 -7.549 -0.219 -9.488 1.00 0.00 O ATOM 763 OE2 GLU A 50 -7.444 1.429 -8.057 1.00 0.00 O ATOM 0 H GLU A 50 -8.234 -3.337 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.739 -2.401 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.305 -0.783 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.974 -1.732 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.887 -0.065 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.888 -1.360 -7.916 1.00 0.00 H new ATOM 770 N GLY A 51 -5.978 -3.974 -7.149 1.00 0.00 N ATOM 771 CA GLY A 51 -4.923 -4.777 -7.737 1.00 0.00 C ATOM 772 C GLY A 51 -3.568 -4.503 -7.117 1.00 0.00 C ATOM 773 O GLY A 51 -3.425 -3.595 -6.299 1.00 0.00 O ATOM 0 H GLY A 51 -5.901 -3.831 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.166 -5.833 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.875 -4.580 -8.808 1.00 0.00 H new ATOM 777 N THR A 52 -2.572 -5.290 -7.512 1.00 0.00 N ATOM 778 CA THR A 52 -1.220 -5.155 -6.984 1.00 0.00 C ATOM 779 C THR A 52 -0.427 -4.074 -7.705 1.00 0.00 C ATOM 780 O THR A 52 0.571 -3.588 -7.187 1.00 0.00 O ATOM 781 CB THR A 52 -0.449 -6.482 -7.095 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.088 -7.334 -8.058 1.00 0.00 O ATOM 783 CG2 THR A 52 -0.361 -7.186 -5.751 1.00 0.00 C ATOM 0 H THR A 52 -2.678 -6.034 -8.202 1.00 0.00 H new ATOM 0 HA THR A 52 -1.329 -4.873 -5.937 1.00 0.00 H new ATOM 0 HB THR A 52 0.567 -6.260 -7.422 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.085 -6.896 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.190 -8.120 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.156 -6.544 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.366 -7.399 -5.386 1.00 0.00 H new ATOM 791 N GLN A 53 -0.869 -3.695 -8.893 1.00 0.00 N ATOM 792 CA GLN A 53 -0.094 -2.790 -9.736 1.00 0.00 C ATOM 793 C GLN A 53 -0.116 -1.375 -9.188 1.00 0.00 C ATOM 794 O GLN A 53 0.929 -0.762 -8.982 1.00 0.00 O ATOM 795 CB GLN A 53 -0.632 -2.821 -11.161 1.00 0.00 C ATOM 796 CG GLN A 53 -0.695 -4.216 -11.720 1.00 0.00 C ATOM 797 CD GLN A 53 -1.033 -4.266 -13.193 1.00 0.00 C ATOM 798 OE1 GLN A 53 -1.756 -3.413 -13.710 1.00 0.00 O ATOM 799 NE2 GLN A 53 -0.503 -5.263 -13.883 1.00 0.00 N ATOM 0 H GLN A 53 -1.756 -3.996 -9.297 1.00 0.00 H new ATOM 0 HA GLN A 53 0.943 -3.127 -9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.628 -2.380 -11.180 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.002 -2.205 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.266 -4.706 -11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.440 -4.787 -11.166 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.091 -5.948 -13.415 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.688 -5.346 -14.883 1.00 0.00 H new ATOM 808 N LYS A 54 -1.308 -0.865 -8.954 1.00 0.00 N ATOM 809 CA LYS A 54 -1.473 0.453 -8.342 1.00 0.00 C ATOM 810 C LYS A 54 -1.071 0.424 -6.887 1.00 0.00 C ATOM 811 O LYS A 54 -0.790 1.450 -6.298 1.00 0.00 O ATOM 812 CB LYS A 54 -2.889 0.914 -8.446 1.00 0.00 C ATOM 813 CG LYS A 54 -3.392 0.937 -9.844 1.00 0.00 C ATOM 814 CD LYS A 54 -4.703 1.677 -9.910 1.00 0.00 C ATOM 815 CE LYS A 54 -5.383 1.537 -11.255 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.767 2.079 -11.215 1.00 0.00 N ATOM 0 H LYS A 54 -2.184 -1.339 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.827 1.146 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.523 0.259 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.972 1.914 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.661 1.418 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.522 -0.082 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.367 1.303 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.531 2.733 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.805 2.063 -12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.409 0.487 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.106 2.238 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.392 1.399 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.772 2.979 -10.694 1.00 0.00 H new ATOM 830 N ALA A 55 -1.087 -0.761 -6.313 1.00 0.00 N ATOM 831 CA ALA A 55 -0.596 -0.962 -4.954 1.00 0.00 C ATOM 832 C ALA A 55 0.923 -0.876 -4.945 1.00 0.00 C ATOM 833 O ALA A 55 1.515 -0.291 -4.043 1.00 0.00 O ATOM 834 CB ALA A 55 -1.070 -2.301 -4.414 1.00 0.00 C ATOM 0 H ALA A 55 -1.435 -1.607 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.994 -0.181 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.696 -2.437 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.160 -2.325 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.695 -3.103 -5.050 1.00 0.00 H new ATOM 840 N LYS A 56 1.553 -1.459 -5.960 1.00 0.00 N ATOM 841 CA LYS A 56 2.962 -1.286 -6.180 1.00 0.00 C ATOM 842 C LYS A 56 3.258 0.183 -6.448 1.00 0.00 C ATOM 843 O LYS A 56 4.102 0.779 -5.797 1.00 0.00 O ATOM 844 CB LYS A 56 3.386 -2.162 -7.350 1.00 0.00 C ATOM 845 CG LYS A 56 4.845 -2.081 -7.654 1.00 0.00 C ATOM 846 CD LYS A 56 5.216 -3.090 -8.719 1.00 0.00 C ATOM 847 CE LYS A 56 6.703 -3.069 -9.027 1.00 0.00 C ATOM 848 NZ LYS A 56 7.143 -1.729 -9.492 1.00 0.00 N ATOM 0 H LYS A 56 1.093 -2.060 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 56 3.528 -1.586 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.125 -3.198 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.821 -1.871 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.098 -1.076 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.423 -2.268 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.928 -4.088 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.654 -2.880 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.264 -3.348 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.928 -3.813 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.815 -1.838 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.317 -1.185 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.606 -1.225 -8.709 1.00 0.00 H new ATOM 862 N LYS A 57 2.539 0.758 -7.402 1.00 0.00 N ATOM 863 CA LYS A 57 2.564 2.178 -7.666 1.00 0.00 C ATOM 864 C LYS A 57 2.386 2.998 -6.386 1.00 0.00 C ATOM 865 O LYS A 57 3.090 3.978 -6.157 1.00 0.00 O ATOM 866 CB LYS A 57 1.429 2.450 -8.640 1.00 0.00 C ATOM 867 CG LYS A 57 1.890 2.730 -10.037 1.00 0.00 C ATOM 868 CD LYS A 57 2.768 1.610 -10.502 1.00 0.00 C ATOM 869 CE LYS A 57 3.358 1.889 -11.851 1.00 0.00 C ATOM 870 NZ LYS A 57 3.647 0.644 -12.608 1.00 0.00 N ATOM 0 H LYS A 57 1.915 0.238 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 57 3.528 2.472 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.759 1.590 -8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.849 3.300 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.032 2.835 -10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.436 3.673 -10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.569 1.453 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.189 0.687 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.670 2.509 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.278 2.461 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.053 0.887 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.324 0.063 -12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.766 0.109 -12.746 1.00 0.00 H new ATOM 884 N LEU A 58 1.436 2.577 -5.568 1.00 0.00 N ATOM 885 CA LEU A 58 1.151 3.211 -4.286 1.00 0.00 C ATOM 886 C LEU A 58 2.376 3.124 -3.370 1.00 0.00 C ATOM 887 O LEU A 58 2.759 4.104 -2.722 1.00 0.00 O ATOM 888 CB LEU A 58 -0.064 2.513 -3.654 1.00 0.00 C ATOM 889 CG LEU A 58 -0.706 3.202 -2.461 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.533 4.714 -2.542 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.187 2.858 -2.402 1.00 0.00 C ATOM 0 H LEU A 58 0.834 1.779 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 58 0.923 4.267 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.824 2.390 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.241 1.513 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.211 2.848 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.002 5.181 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.529 4.958 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.002 5.086 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.642 3.355 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.675 3.193 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.306 1.779 -2.302 1.00 0.00 H new ATOM 903 N PHE A 59 2.974 1.939 -3.326 1.00 0.00 N ATOM 904 CA PHE A 59 4.243 1.721 -2.640 1.00 0.00 C ATOM 905 C PHE A 59 5.307 2.695 -3.150 1.00 0.00 C ATOM 906 O PHE A 59 5.976 3.350 -2.356 1.00 0.00 O ATOM 907 CB PHE A 59 4.680 0.254 -2.822 1.00 0.00 C ATOM 908 CG PHE A 59 6.136 -0.024 -2.546 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.616 -0.010 -1.249 1.00 0.00 C ATOM 910 CD2 PHE A 59 7.024 -0.319 -3.582 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.947 -0.280 -0.985 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.353 -0.585 -3.316 1.00 0.00 C ATOM 913 CZ PHE A 59 8.814 -0.567 -2.018 1.00 0.00 C ATOM 0 H PHE A 59 2.593 1.101 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 59 4.117 1.913 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.077 -0.372 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.457 -0.050 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.945 0.214 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.668 -0.339 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.308 -0.266 0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.031 -0.807 -4.126 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.853 -0.777 -1.810 1.00 0.00 H new ATOM 923 N LEU A 60 5.426 2.803 -4.469 1.00 0.00 N ATOM 924 CA LEU A 60 6.379 3.718 -5.110 1.00 0.00 C ATOM 925 C LEU A 60 6.184 5.152 -4.642 1.00 0.00 C ATOM 926 O LEU A 60 7.129 5.819 -4.223 1.00 0.00 O ATOM 927 CB LEU A 60 6.211 3.670 -6.628 1.00 0.00 C ATOM 928 CG LEU A 60 7.011 2.620 -7.375 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.496 2.904 -7.280 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.728 1.220 -6.873 1.00 0.00 C ATOM 0 H LEU A 60 4.867 2.261 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 60 7.381 3.393 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.155 3.511 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.477 4.648 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 60 6.698 2.673 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.049 2.137 -7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.708 3.881 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.801 2.898 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.324 0.503 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.986 1.153 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.670 0.994 -7.003 1.00 0.00 H new ATOM 942 N GLN A 61 4.960 5.625 -4.751 1.00 0.00 N ATOM 943 CA GLN A 61 4.603 6.954 -4.280 1.00 0.00 C ATOM 944 C GLN A 61 5.013 7.152 -2.843 1.00 0.00 C ATOM 945 O GLN A 61 5.712 8.107 -2.504 1.00 0.00 O ATOM 946 CB GLN A 61 3.117 7.130 -4.389 1.00 0.00 C ATOM 947 CG GLN A 61 2.633 7.016 -5.801 1.00 0.00 C ATOM 948 CD GLN A 61 2.822 8.275 -6.592 1.00 0.00 C ATOM 949 OE1 GLN A 61 3.737 9.066 -6.356 1.00 0.00 O ATOM 950 NE2 GLN A 61 1.949 8.458 -7.550 1.00 0.00 N ATOM 0 H GLN A 61 4.186 5.106 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 61 5.125 7.688 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.619 6.380 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.839 8.105 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.162 6.201 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.575 6.753 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.210 7.772 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.008 9.286 -8.142 1.00 0.00 H new ATOM 959 N HIS A 62 4.539 6.254 -1.998 1.00 0.00 N ATOM 960 CA HIS A 62 4.923 6.256 -0.588 1.00 0.00 C ATOM 961 C HIS A 62 6.429 6.303 -0.446 1.00 0.00 C ATOM 962 O HIS A 62 6.941 7.042 0.385 1.00 0.00 O ATOM 963 CB HIS A 62 4.395 5.030 0.150 1.00 0.00 C ATOM 964 CG HIS A 62 4.538 5.160 1.615 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.389 4.385 2.347 1.00 0.00 N ATOM 966 CD2 HIS A 62 3.937 5.999 2.485 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.311 4.738 3.604 1.00 0.00 C ATOM 968 NE2 HIS A 62 4.437 5.717 3.722 1.00 0.00 N ATOM 0 H HIS A 62 3.888 5.513 -2.258 1.00 0.00 H new ATOM 0 HA HIS A 62 4.479 7.146 -0.143 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.344 4.881 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.932 4.144 -0.189 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.989 3.649 1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.200 6.751 2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.873 4.298 4.415 1.00 0.00 H new ATOM 977 N ILE A 63 7.123 5.514 -1.250 1.00 0.00 N ATOM 978 CA ILE A 63 8.576 5.555 -1.281 1.00 0.00 C ATOM 979 C ILE A 63 9.055 6.980 -1.433 1.00 0.00 C ATOM 980 O ILE A 63 9.880 7.438 -0.658 1.00 0.00 O ATOM 981 CB ILE A 63 9.160 4.701 -2.410 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.906 3.231 -2.124 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.647 4.975 -2.589 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.179 2.829 -0.696 1.00 0.00 C ATOM 0 H ILE A 63 6.704 4.838 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 63 8.925 5.141 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 63 8.665 4.967 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.869 2.998 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.529 2.629 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.036 4.356 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.796 6.027 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.174 4.739 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.974 1.766 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.223 3.028 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.537 3.403 -0.027 1.00 0.00 H new ATOM 996 N HIS A 64 8.471 7.685 -2.388 1.00 0.00 N ATOM 997 CA HIS A 64 8.821 9.069 -2.659 1.00 0.00 C ATOM 998 C HIS A 64 8.602 9.892 -1.410 1.00 0.00 C ATOM 999 O HIS A 64 9.502 10.594 -0.957 1.00 0.00 O ATOM 1000 CB HIS A 64 7.970 9.583 -3.831 1.00 0.00 C ATOM 1001 CG HIS A 64 7.957 11.050 -4.007 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.619 11.849 -2.984 1.00 0.00 N ATOM 1003 CD2 HIS A 64 8.230 11.853 -5.060 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.676 13.111 -3.363 1.00 0.00 C ATOM 1005 NE2 HIS A 64 8.044 13.141 -4.629 1.00 0.00 N ATOM 0 H HIS A 64 7.741 7.314 -2.997 1.00 0.00 H new ATOM 0 HA HIS A 64 9.871 9.151 -2.939 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.335 9.127 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.944 9.241 -3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.535 11.541 -6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.459 13.970 -2.745 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.169 13.982 -5.193 1.00 0.00 H new ATOM 1014 N ARG A 65 7.394 9.816 -0.885 1.00 0.00 N ATOM 1015 CA ARG A 65 7.014 10.505 0.314 1.00 0.00 C ATOM 1016 C ARG A 65 8.013 10.296 1.447 1.00 0.00 C ATOM 1017 O ARG A 65 8.460 11.242 2.094 1.00 0.00 O ATOM 1018 CB ARG A 65 5.688 9.970 0.673 1.00 0.00 C ATOM 1019 CG ARG A 65 4.645 10.341 -0.309 1.00 0.00 C ATOM 1020 CD ARG A 65 3.694 9.211 -0.462 1.00 0.00 C ATOM 1021 NE ARG A 65 2.391 9.602 -0.992 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.232 9.087 -0.573 1.00 0.00 C ATOM 1023 NH1 ARG A 65 1.210 8.232 0.443 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.092 9.453 -1.139 1.00 0.00 N ATOM 0 H ARG A 65 6.642 9.261 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 65 6.991 11.582 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.745 8.884 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.404 10.341 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.116 11.234 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.102 10.580 -1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.135 8.465 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.553 8.734 0.508 1.00 0.00 H new ATOM 0 HE ARG A 65 2.364 10.310 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.080 7.967 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.323 7.840 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.095 10.132 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.789 9.056 -0.814 1.00 0.00 H new ATOM 1038 N LEU A 66 8.324 9.034 1.663 1.00 0.00 N ATOM 1039 CA LEU A 66 9.361 8.585 2.602 1.00 0.00 C ATOM 1040 C LEU A 66 10.652 9.356 2.442 1.00 0.00 C ATOM 1041 O LEU A 66 11.239 9.845 3.407 1.00 0.00 O ATOM 1042 CB LEU A 66 9.617 7.099 2.358 1.00 0.00 C ATOM 1043 CG LEU A 66 8.446 6.227 2.706 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.720 4.780 2.356 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.128 6.374 4.171 1.00 0.00 C ATOM 0 H LEU A 66 7.857 8.264 1.184 1.00 0.00 H new ATOM 0 HA LEU A 66 9.007 8.762 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.873 6.949 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.481 6.786 2.944 1.00 0.00 H new ATOM 0 HG LEU A 66 7.584 6.546 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.855 4.172 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.912 4.694 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.591 4.430 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.278 5.741 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.993 6.074 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.883 7.414 4.388 1.00 0.00 H new ATOM 1057 N LYS A 67 11.090 9.431 1.213 1.00 0.00 N ATOM 1058 CA LYS A 67 12.336 10.122 0.874 1.00 0.00 C ATOM 1059 C LYS A 67 12.207 11.618 1.094 1.00 0.00 C ATOM 1060 O LYS A 67 13.073 12.253 1.699 1.00 0.00 O ATOM 1061 CB LYS A 67 12.705 9.881 -0.591 1.00 0.00 C ATOM 1062 CG LYS A 67 12.328 8.522 -1.075 1.00 0.00 C ATOM 1063 CD LYS A 67 12.936 8.154 -2.397 1.00 0.00 C ATOM 1064 CE LYS A 67 12.252 8.887 -3.530 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.625 8.339 -4.866 1.00 0.00 N ATOM 0 H LYS A 67 10.607 9.022 0.413 1.00 0.00 H new ATOM 0 HA LYS A 67 13.114 9.723 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.213 10.630 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.779 10.019 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.630 7.786 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.243 8.465 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.999 8.395 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.854 7.078 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.172 8.822 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.515 9.944 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.132 8.873 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.653 8.424 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.351 7.337 -4.919 1.00 0.00 H new