USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 23 CYS SG : rot 175:sc= -1.04 USER MOD Set 1.2: A 26 CYS SG : rot -69:sc= -0.251 USER MOD Set 1.3: A 28 SER OG : rot 118:sc= 1.14 USER MOD Set 1.4: A 54 ASN : amide:sc= -6.79! C(o=-13!,f=-18!) USER MOD Set 1.5: A 55 HIS : no HE2:sc= -5.24! C(o=-13!,f=-16!) USER MOD Set 1.6: A 58 CYS SG : rot -70:sc= -1.12 USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.539 USER MOD Set 2.2: A 31 ASN : amide:sc= -0.144 X(o=-0.68,f=-0.73) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -27:sc= 0.0972 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 8:sc= 0.192 USER MOD Single : A 21 SER OG : rot -110:sc= -0.0358 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 170:sc=-0.00126 USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 0.312 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0544 K(o=-0.054,f=-0.74) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -0.0871 (180deg=-0.927) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.483 K(o=0.48,f=-0.99) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.231 K(o=0.23,f=-0.79) USER MOD Single : A 84 GLN :FLIP amide:sc= -3.42! C(o=-4.6!,f=-3.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0.431 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.601 11.559 3.974 1.00 0.00 N ATOM 84 CA LYS A 9 9.724 10.550 2.929 1.00 0.00 C ATOM 85 C LYS A 9 8.681 10.768 1.837 1.00 0.00 C ATOM 86 O LYS A 9 7.540 11.149 2.103 1.00 0.00 O ATOM 87 CB LYS A 9 9.570 9.148 3.523 1.00 0.00 C ATOM 88 CG LYS A 9 10.883 8.532 3.974 1.00 0.00 C ATOM 89 CD LYS A 9 10.681 7.585 5.146 1.00 0.00 C ATOM 90 CE LYS A 9 12.002 7.007 5.630 1.00 0.00 C ATOM 91 NZ LYS A 9 11.933 6.582 7.055 1.00 0.00 N ATOM 0 HA LYS A 9 10.715 10.643 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.889 9.195 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.108 8.497 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.337 7.992 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.578 9.322 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.193 8.116 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.015 6.775 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.274 6.153 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.789 7.751 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.853 6.194 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.699 7.402 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.199 5.853 7.165 1.00 0.00 H new ATOM 105 N PRO A 10 9.077 10.520 0.580 1.00 0.00 N ATOM 106 CA PRO A 10 8.190 10.681 -0.576 1.00 0.00 C ATOM 107 C PRO A 10 7.088 9.627 -0.612 1.00 0.00 C ATOM 108 O PRO A 10 5.953 9.916 -0.990 1.00 0.00 O ATOM 109 CB PRO A 10 9.131 10.511 -1.771 1.00 0.00 C ATOM 110 CG PRO A 10 10.255 9.681 -1.254 1.00 0.00 C ATOM 111 CD PRO A 10 10.422 10.063 0.191 1.00 0.00 C ATOM 0 HA PRO A 10 7.668 11.638 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.628 10.021 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.486 11.475 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.033 8.618 -1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.170 9.870 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.749 9.217 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.166 10.850 0.315 1.00 0.00 H new ATOM 119 N TRP A 11 7.430 8.407 -0.216 1.00 0.00 N ATOM 120 CA TRP A 11 6.468 7.310 -0.202 1.00 0.00 C ATOM 121 C TRP A 11 6.139 6.892 1.226 1.00 0.00 C ATOM 122 O TRP A 11 6.950 7.065 2.136 1.00 0.00 O ATOM 123 CB TRP A 11 7.016 6.115 -0.983 1.00 0.00 C ATOM 124 CG TRP A 11 7.134 6.370 -2.455 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.213 6.889 -3.113 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.137 6.121 -3.451 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.946 6.977 -4.458 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.679 6.511 -4.691 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.839 5.605 -3.417 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.967 6.401 -5.883 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.133 5.497 -4.600 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.698 5.893 -5.819 1.00 0.00 C ATOM 0 H TRP A 11 8.366 8.152 0.100 1.00 0.00 H new ATOM 0 HA TRP A 11 5.551 7.658 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.997 5.851 -0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.365 5.256 -0.822 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.140 7.186 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.587 7.332 -5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.395 5.296 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.401 6.706 -6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.129 5.101 -4.584 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.121 5.795 -6.726 1.00 0.00 H new ATOM 143 N ARG A 12 4.944 6.343 1.417 1.00 0.00 N ATOM 144 CA ARG A 12 4.508 5.901 2.736 1.00 0.00 C ATOM 145 C ARG A 12 4.048 4.447 2.698 1.00 0.00 C ATOM 146 O ARG A 12 3.471 3.994 1.710 1.00 0.00 O ATOM 147 CB ARG A 12 3.374 6.793 3.247 1.00 0.00 C ATOM 148 CG ARG A 12 2.014 6.440 2.669 1.00 0.00 C ATOM 149 CD ARG A 12 1.021 7.578 2.846 1.00 0.00 C ATOM 150 NE ARG A 12 0.628 7.749 4.242 1.00 0.00 N ATOM 151 CZ ARG A 12 -0.114 8.762 4.677 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.541 9.688 3.829 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.430 8.849 5.963 1.00 0.00 N ATOM 0 H ARG A 12 4.260 6.194 0.675 1.00 0.00 H new ATOM 0 HA ARG A 12 5.356 5.978 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.327 6.720 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.603 7.831 3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.117 6.207 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.632 5.543 3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.462 8.504 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.135 7.384 2.241 1.00 0.00 H new ATOM 0 HE ARG A 12 0.940 7.053 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.300 9.624 2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.110 10.464 4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.103 8.138 6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.000 9.627 6.297 1.00 0.00 H new ATOM 167 N ALA A 13 4.307 3.721 3.781 1.00 0.00 N ATOM 168 CA ALA A 13 3.918 2.319 3.872 1.00 0.00 C ATOM 169 C ALA A 13 3.223 2.027 5.197 1.00 0.00 C ATOM 170 O ALA A 13 3.809 2.195 6.266 1.00 0.00 O ATOM 171 CB ALA A 13 5.135 1.422 3.704 1.00 0.00 C ATOM 0 H ALA A 13 4.785 4.081 4.607 1.00 0.00 H new ATOM 0 HA ALA A 13 3.212 2.111 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.830 0.378 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.589 1.603 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.860 1.642 4.488 1.00 0.00 H new ATOM 177 N GLU A 14 1.970 1.590 5.119 1.00 0.00 N ATOM 178 CA GLU A 14 1.195 1.276 6.314 1.00 0.00 C ATOM 179 C GLU A 14 -0.063 0.490 5.956 1.00 0.00 C ATOM 180 O GLU A 14 -0.625 0.657 4.874 1.00 0.00 O ATOM 181 CB GLU A 14 0.814 2.561 7.053 1.00 0.00 C ATOM 182 CG GLU A 14 0.050 3.554 6.194 1.00 0.00 C ATOM 183 CD GLU A 14 -0.038 4.928 6.829 1.00 0.00 C ATOM 184 OE1 GLU A 14 -0.900 5.118 7.713 1.00 0.00 O ATOM 185 OE2 GLU A 14 0.753 5.813 6.442 1.00 0.00 O ATOM 0 H GLU A 14 1.470 1.445 4.242 1.00 0.00 H new ATOM 0 HA GLU A 14 1.814 0.660 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.208 2.304 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.720 3.038 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.536 3.638 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.956 3.175 6.015 1.00 0.00 H new ATOM 192 N TYR A 15 -0.498 -0.367 6.873 1.00 0.00 N ATOM 193 CA TYR A 15 -1.687 -1.182 6.653 1.00 0.00 C ATOM 194 C TYR A 15 -2.956 -0.352 6.830 1.00 0.00 C ATOM 195 O TYR A 15 -3.129 0.330 7.839 1.00 0.00 O ATOM 196 CB TYR A 15 -1.703 -2.369 7.617 1.00 0.00 C ATOM 197 CG TYR A 15 -0.767 -3.487 7.216 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.149 -3.316 6.186 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.801 -4.715 7.865 1.00 0.00 C ATOM 200 CE1 TYR A 15 1.005 -4.335 5.815 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.052 -5.739 7.502 1.00 0.00 C ATOM 202 CZ TYR A 15 0.953 -5.544 6.476 1.00 0.00 C ATOM 203 OH TYR A 15 1.804 -6.562 6.110 1.00 0.00 O ATOM 0 H TYR A 15 -0.046 -0.515 7.775 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.657 -1.554 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.433 -2.020 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.718 -2.761 7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.193 -2.370 5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.507 -4.872 8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.711 -4.185 5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.014 -6.687 8.018 1.00 0.00 H new ATOM 0 HH TYR A 15 2.045 -6.463 5.165 1.00 0.00 H new ATOM 213 N ALA A 16 -3.840 -0.418 5.840 1.00 0.00 N ATOM 214 CA ALA A 16 -5.094 0.324 5.886 1.00 0.00 C ATOM 215 C ALA A 16 -5.902 -0.040 7.127 1.00 0.00 C ATOM 216 O ALA A 16 -5.819 -1.162 7.629 1.00 0.00 O ATOM 217 CB ALA A 16 -5.909 0.061 4.628 1.00 0.00 C ATOM 0 H ALA A 16 -3.711 -0.977 4.997 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.857 1.387 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.843 0.621 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.340 0.377 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.128 -1.004 4.553 1.00 0.00 H new ATOM 223 N LYS A 17 -6.684 0.915 7.620 1.00 0.00 N ATOM 224 CA LYS A 17 -7.508 0.696 8.803 1.00 0.00 C ATOM 225 C LYS A 17 -8.977 0.545 8.422 1.00 0.00 C ATOM 226 O LYS A 17 -9.768 -0.021 9.175 1.00 0.00 O ATOM 227 CB LYS A 17 -7.342 1.856 9.787 1.00 0.00 C ATOM 228 CG LYS A 17 -5.983 1.888 10.466 1.00 0.00 C ATOM 229 CD LYS A 17 -5.903 0.879 11.599 1.00 0.00 C ATOM 230 CE LYS A 17 -5.224 -0.407 11.153 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.723 -1.589 11.909 1.00 0.00 N ATOM 0 H LYS A 17 -6.764 1.849 7.218 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.178 -0.227 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.496 2.796 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.118 1.789 10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.204 1.677 9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.792 2.889 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.353 1.311 12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.907 0.655 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.397 -0.558 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.147 -0.316 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.236 -2.445 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.536 -1.457 12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.747 -1.692 11.757 1.00 0.00 H new ATOM 245 N SER A 18 -9.334 1.054 7.247 1.00 0.00 N ATOM 246 CA SER A 18 -10.709 0.978 6.767 1.00 0.00 C ATOM 247 C SER A 18 -10.748 0.846 5.248 1.00 0.00 C ATOM 248 O SER A 18 -9.784 1.181 4.560 1.00 0.00 O ATOM 249 CB SER A 18 -11.494 2.217 7.203 1.00 0.00 C ATOM 250 OG SER A 18 -11.831 2.149 8.578 1.00 0.00 O ATOM 0 H SER A 18 -8.690 1.523 6.610 1.00 0.00 H new ATOM 0 HA SER A 18 -11.171 0.092 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.901 3.112 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.402 2.305 6.607 1.00 0.00 H new ATOM 0 HG SER A 18 -11.377 1.384 8.989 1.00 0.00 H new ATOM 256 N SER A 19 -11.870 0.356 4.731 1.00 0.00 N ATOM 257 CA SER A 19 -12.035 0.176 3.294 1.00 0.00 C ATOM 258 C SER A 19 -12.737 1.380 2.672 1.00 0.00 C ATOM 259 O SER A 19 -13.567 1.233 1.775 1.00 0.00 O ATOM 260 CB SER A 19 -12.832 -1.098 3.006 1.00 0.00 C ATOM 261 OG SER A 19 -12.449 -2.147 3.878 1.00 0.00 O ATOM 0 H SER A 19 -12.679 0.076 5.286 1.00 0.00 H new ATOM 0 HA SER A 19 -11.044 0.085 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.897 -0.898 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.673 -1.404 1.972 1.00 0.00 H new ATOM 0 HG SER A 19 -12.974 -2.949 3.675 1.00 0.00 H new ATOM 267 N ARG A 20 -12.397 2.570 3.156 1.00 0.00 N ATOM 268 CA ARG A 20 -12.994 3.800 2.650 1.00 0.00 C ATOM 269 C ARG A 20 -12.176 4.366 1.493 1.00 0.00 C ATOM 270 O ARG A 20 -12.730 4.839 0.501 1.00 0.00 O ATOM 271 CB ARG A 20 -13.101 4.838 3.768 1.00 0.00 C ATOM 272 CG ARG A 20 -14.080 4.453 4.865 1.00 0.00 C ATOM 273 CD ARG A 20 -14.343 5.614 5.811 1.00 0.00 C ATOM 274 NE ARG A 20 -14.911 5.169 7.080 1.00 0.00 N ATOM 275 CZ ARG A 20 -15.036 5.954 8.145 1.00 0.00 C ATOM 276 NH1 ARG A 20 -14.637 7.217 8.092 1.00 0.00 N ATOM 277 NH2 ARG A 20 -15.563 5.476 9.265 1.00 0.00 N ATOM 0 H ARG A 20 -11.711 2.708 3.898 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.994 3.565 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.115 4.988 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.407 5.792 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.019 4.127 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.684 3.607 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.411 6.147 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.024 6.320 5.337 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.229 4.203 7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.233 7.589 7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.734 7.817 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.873 4.505 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.658 6.079 10.082 1.00 0.00 H new ATOM 291 N SER A 21 -10.854 4.314 1.628 1.00 0.00 N ATOM 292 CA SER A 21 -9.959 4.825 0.597 1.00 0.00 C ATOM 293 C SER A 21 -10.000 3.939 -0.645 1.00 0.00 C ATOM 294 O SER A 21 -10.141 2.720 -0.547 1.00 0.00 O ATOM 295 CB SER A 21 -8.528 4.910 1.130 1.00 0.00 C ATOM 296 OG SER A 21 -8.052 3.634 1.520 1.00 0.00 O ATOM 0 H SER A 21 -10.380 3.923 2.442 1.00 0.00 H new ATOM 0 HA SER A 21 -10.296 5.824 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.875 5.326 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.494 5.590 1.981 1.00 0.00 H new ATOM 0 HG SER A 21 -7.971 3.599 2.496 1.00 0.00 H new ATOM 302 N SER A 22 -9.874 4.561 -1.813 1.00 0.00 N ATOM 303 CA SER A 22 -9.900 3.831 -3.075 1.00 0.00 C ATOM 304 C SER A 22 -8.673 4.162 -3.918 1.00 0.00 C ATOM 305 O SER A 22 -8.314 5.328 -4.083 1.00 0.00 O ATOM 306 CB SER A 22 -11.174 4.163 -3.854 1.00 0.00 C ATOM 307 OG SER A 22 -12.318 4.077 -3.023 1.00 0.00 O ATOM 0 H SER A 22 -9.753 5.569 -1.911 1.00 0.00 H new ATOM 0 HA SER A 22 -9.888 2.764 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.098 5.168 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.279 3.477 -4.694 1.00 0.00 H new ATOM 0 HG SER A 22 -13.118 4.295 -3.545 1.00 0.00 H new ATOM 313 N CYS A 23 -8.033 3.126 -4.451 1.00 0.00 N ATOM 314 CA CYS A 23 -6.845 3.304 -5.278 1.00 0.00 C ATOM 315 C CYS A 23 -7.122 4.269 -6.428 1.00 0.00 C ATOM 316 O CYS A 23 -8.276 4.534 -6.767 1.00 0.00 O ATOM 317 CB CYS A 23 -6.377 1.957 -5.831 1.00 0.00 C ATOM 318 SG CYS A 23 -4.873 2.055 -6.855 1.00 0.00 S ATOM 0 H CYS A 23 -8.317 2.155 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.058 3.727 -4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.193 1.279 -4.998 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.180 1.521 -6.425 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.499 0.857 -7.192 1.00 0.00 H new ATOM 323 N LYS A 24 -6.056 4.791 -7.024 1.00 0.00 N ATOM 324 CA LYS A 24 -6.182 5.725 -8.137 1.00 0.00 C ATOM 325 C LYS A 24 -5.660 5.105 -9.429 1.00 0.00 C ATOM 326 O LYS A 24 -6.144 5.416 -10.519 1.00 0.00 O ATOM 327 CB LYS A 24 -5.418 7.016 -7.834 1.00 0.00 C ATOM 328 CG LYS A 24 -4.039 7.070 -8.467 1.00 0.00 C ATOM 329 CD LYS A 24 -4.101 7.569 -9.901 1.00 0.00 C ATOM 330 CE LYS A 24 -3.924 9.078 -9.974 1.00 0.00 C ATOM 331 NZ LYS A 24 -3.353 9.506 -11.280 1.00 0.00 N ATOM 0 H LYS A 24 -5.094 4.583 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.239 5.957 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.003 7.866 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.317 7.124 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.394 7.725 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.589 6.077 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.325 7.082 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.058 7.292 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.887 9.565 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.270 9.407 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.248 10.541 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.422 9.062 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.990 9.215 -12.049 1.00 0.00 H new ATOM 345 N THR A 25 -4.672 4.225 -9.302 1.00 0.00 N ATOM 346 CA THR A 25 -4.086 3.561 -10.460 1.00 0.00 C ATOM 347 C THR A 25 -5.074 2.592 -11.097 1.00 0.00 C ATOM 348 O THR A 25 -5.125 2.455 -12.319 1.00 0.00 O ATOM 349 CB THR A 25 -2.805 2.795 -10.079 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.707 3.705 -9.956 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.478 1.736 -11.121 1.00 0.00 C ATOM 0 H THR A 25 -4.261 3.955 -8.408 1.00 0.00 H new ATOM 0 HA THR A 25 -3.834 4.341 -11.178 1.00 0.00 H new ATOM 0 HB THR A 25 -2.975 2.301 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.940 3.241 -9.560 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.570 1.208 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.303 1.027 -11.191 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.327 2.213 -12.089 1.00 0.00 H new ATOM 359 N CYS A 26 -5.860 1.920 -10.261 1.00 0.00 N ATOM 360 CA CYS A 26 -6.848 0.963 -10.742 1.00 0.00 C ATOM 361 C CYS A 26 -8.265 1.464 -10.476 1.00 0.00 C ATOM 362 O CYS A 26 -9.229 0.974 -11.064 1.00 0.00 O ATOM 363 CB CYS A 26 -6.641 -0.396 -10.070 1.00 0.00 C ATOM 364 SG CYS A 26 -7.105 -0.434 -8.309 1.00 0.00 S ATOM 0 H CYS A 26 -5.831 2.021 -9.246 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.717 0.853 -11.818 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.224 -1.146 -10.604 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.593 -0.680 -10.165 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.269 0.289 -7.624 1.00 0.00 H new ATOM 369 N LYS A 27 -8.383 2.442 -9.585 1.00 0.00 N ATOM 370 CA LYS A 27 -9.680 3.012 -9.241 1.00 0.00 C ATOM 371 C LYS A 27 -10.541 1.995 -8.499 1.00 0.00 C ATOM 372 O LYS A 27 -11.726 1.838 -8.794 1.00 0.00 O ATOM 373 CB LYS A 27 -10.404 3.484 -10.504 1.00 0.00 C ATOM 374 CG LYS A 27 -9.568 4.404 -11.376 1.00 0.00 C ATOM 375 CD LYS A 27 -8.739 3.620 -12.380 1.00 0.00 C ATOM 376 CE LYS A 27 -8.448 4.442 -13.626 1.00 0.00 C ATOM 377 NZ LYS A 27 -7.397 5.468 -13.380 1.00 0.00 N ATOM 0 H LYS A 27 -7.595 2.857 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.511 3.866 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.701 2.614 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.319 4.002 -10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.221 5.098 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.909 5.003 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.801 3.313 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.269 2.710 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.128 3.780 -14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.363 4.932 -13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.797 6.417 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.053 5.385 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.606 5.320 -14.039 1.00 0.00 H new ATOM 391 N SER A 28 -9.938 1.307 -7.534 1.00 0.00 N ATOM 392 CA SER A 28 -10.650 0.304 -6.752 1.00 0.00 C ATOM 393 C SER A 28 -10.592 0.634 -5.263 1.00 0.00 C ATOM 394 O SER A 28 -9.957 1.607 -4.856 1.00 0.00 O ATOM 395 CB SER A 28 -10.056 -1.084 -7.001 1.00 0.00 C ATOM 396 OG SER A 28 -9.819 -1.296 -8.382 1.00 0.00 O ATOM 0 H SER A 28 -8.959 1.426 -7.276 1.00 0.00 H new ATOM 0 HA SER A 28 -11.693 0.307 -7.067 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.122 -1.188 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.737 -1.847 -6.624 1.00 0.00 H new ATOM 0 HG SER A 28 -8.860 -1.427 -8.533 1.00 0.00 H new ATOM 402 N VAL A 29 -11.260 -0.184 -4.456 1.00 0.00 N ATOM 403 CA VAL A 29 -11.284 0.019 -3.012 1.00 0.00 C ATOM 404 C VAL A 29 -10.138 -0.722 -2.333 1.00 0.00 C ATOM 405 O VAL A 29 -9.798 -1.843 -2.714 1.00 0.00 O ATOM 406 CB VAL A 29 -12.618 -0.451 -2.402 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.410 -0.944 -0.978 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.646 0.670 -2.442 1.00 0.00 C ATOM 0 H VAL A 29 -11.792 -0.993 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.171 1.090 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.997 -1.282 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.363 -1.272 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.709 -1.779 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.008 -0.135 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.582 0.321 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.277 1.523 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.816 0.971 -3.476 1.00 0.00 H new ATOM 418 N ILE A 30 -9.546 -0.090 -1.326 1.00 0.00 N ATOM 419 CA ILE A 30 -8.439 -0.691 -0.593 1.00 0.00 C ATOM 420 C ILE A 30 -8.885 -1.164 0.787 1.00 0.00 C ATOM 421 O ILE A 30 -8.810 -0.419 1.763 1.00 0.00 O ATOM 422 CB ILE A 30 -7.269 0.298 -0.430 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.782 0.775 -1.800 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.132 -0.350 0.346 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.073 2.111 -1.758 1.00 0.00 C ATOM 0 H ILE A 30 -9.814 0.838 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.102 -1.548 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.619 1.164 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.107 0.028 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.635 0.846 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.313 0.361 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.487 -0.645 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.780 -1.231 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.756 2.386 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.752 2.871 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.200 2.039 -1.109 1.00 0.00 H new ATOM 437 N ASN A 31 -9.348 -2.408 0.858 1.00 0.00 N ATOM 438 CA ASN A 31 -9.805 -2.981 2.119 1.00 0.00 C ATOM 439 C ASN A 31 -8.722 -2.880 3.188 1.00 0.00 C ATOM 440 O ASN A 31 -7.529 -2.947 2.888 1.00 0.00 O ATOM 441 CB ASN A 31 -10.207 -4.444 1.921 1.00 0.00 C ATOM 442 CG ASN A 31 -11.147 -4.632 0.747 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.731 -5.042 -0.337 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.424 -4.332 0.957 1.00 0.00 N ATOM 0 H ASN A 31 -9.417 -3.038 0.058 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.673 -2.414 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.312 -5.046 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.685 -4.812 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.103 -4.438 0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.725 -3.995 1.872 1.00 0.00 H new ATOM 451 N LYS A 32 -9.144 -2.717 4.437 1.00 0.00 N ATOM 452 CA LYS A 32 -8.211 -2.608 5.553 1.00 0.00 C ATOM 453 C LYS A 32 -7.418 -3.899 5.727 1.00 0.00 C ATOM 454 O LYS A 32 -7.794 -4.945 5.199 1.00 0.00 O ATOM 455 CB LYS A 32 -8.965 -2.282 6.844 1.00 0.00 C ATOM 456 CG LYS A 32 -9.587 -3.497 7.509 1.00 0.00 C ATOM 457 CD LYS A 32 -10.941 -3.169 8.116 1.00 0.00 C ATOM 458 CE LYS A 32 -10.810 -2.729 9.566 1.00 0.00 C ATOM 459 NZ LYS A 32 -10.762 -3.891 10.496 1.00 0.00 N ATOM 0 H LYS A 32 -10.127 -2.657 4.703 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.513 -1.800 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.279 -1.806 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.749 -1.558 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.700 -4.296 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.919 -3.869 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.419 -2.379 7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.589 -4.044 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.906 -2.132 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.652 -2.088 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.673 -3.549 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.636 -4.447 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.944 -4.489 10.262 1.00 0.00 H new ATOM 473 N GLU A 33 -6.320 -3.818 6.472 1.00 0.00 N ATOM 474 CA GLU A 33 -5.475 -4.981 6.715 1.00 0.00 C ATOM 475 C GLU A 33 -4.700 -5.363 5.458 1.00 0.00 C ATOM 476 O GLU A 33 -4.306 -6.516 5.286 1.00 0.00 O ATOM 477 CB GLU A 33 -6.322 -6.165 7.185 1.00 0.00 C ATOM 478 CG GLU A 33 -7.435 -5.775 8.144 1.00 0.00 C ATOM 479 CD GLU A 33 -7.729 -6.855 9.167 1.00 0.00 C ATOM 480 OE1 GLU A 33 -6.894 -7.054 10.074 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.792 -7.500 9.061 1.00 0.00 O ATOM 0 H GLU A 33 -5.995 -2.960 6.917 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.760 -4.722 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.759 -6.656 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.674 -6.894 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.159 -4.856 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.341 -5.562 7.576 1.00 0.00 H new ATOM 488 N ASN A 34 -4.486 -4.387 4.582 1.00 0.00 N ATOM 489 CA ASN A 34 -3.759 -4.621 3.339 1.00 0.00 C ATOM 490 C ASN A 34 -2.563 -3.681 3.224 1.00 0.00 C ATOM 491 O ASN A 34 -2.526 -2.624 3.855 1.00 0.00 O ATOM 492 CB ASN A 34 -4.688 -4.432 2.138 1.00 0.00 C ATOM 493 CG ASN A 34 -5.383 -5.719 1.737 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.774 -6.789 1.725 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.665 -5.620 1.407 1.00 0.00 N ATOM 0 H ASN A 34 -4.805 -3.427 4.709 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.392 -5.647 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.437 -3.677 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.113 -4.054 1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.186 -6.452 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.129 -4.712 1.431 1.00 0.00 H new ATOM 502 N PHE A 35 -1.586 -4.073 2.413 1.00 0.00 N ATOM 503 CA PHE A 35 -0.387 -3.266 2.214 1.00 0.00 C ATOM 504 C PHE A 35 -0.544 -2.346 1.007 1.00 0.00 C ATOM 505 O PHE A 35 -0.558 -2.803 -0.137 1.00 0.00 O ATOM 506 CB PHE A 35 0.835 -4.167 2.028 1.00 0.00 C ATOM 507 CG PHE A 35 1.990 -3.480 1.356 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.212 -2.126 1.546 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.852 -4.189 0.535 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.274 -1.491 0.930 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.916 -3.559 -0.083 1.00 0.00 C ATOM 512 CZ PHE A 35 4.126 -2.208 0.113 1.00 0.00 C ATOM 0 H PHE A 35 -1.601 -4.944 1.883 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.243 -2.650 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.158 -4.534 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.548 -5.038 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.548 -1.560 2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.691 -5.245 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.437 -0.435 1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.583 -4.123 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.955 -1.713 -0.372 1.00 0.00 H new ATOM 522 N ARG A 36 -0.664 -1.049 1.270 1.00 0.00 N ATOM 523 CA ARG A 36 -0.822 -0.065 0.206 1.00 0.00 C ATOM 524 C ARG A 36 0.335 0.930 0.209 1.00 0.00 C ATOM 525 O ARG A 36 1.199 0.891 1.086 1.00 0.00 O ATOM 526 CB ARG A 36 -2.149 0.679 0.363 1.00 0.00 C ATOM 527 CG ARG A 36 -2.336 1.307 1.735 1.00 0.00 C ATOM 528 CD ARG A 36 -3.446 2.346 1.725 1.00 0.00 C ATOM 529 NE ARG A 36 -3.306 3.307 2.815 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.245 4.187 3.146 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.387 4.226 2.473 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.043 5.029 4.151 1.00 0.00 N ATOM 0 H ARG A 36 -0.655 -0.655 2.211 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.821 -0.594 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.211 1.459 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.969 -0.014 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.570 0.530 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.403 1.772 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.439 2.875 0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.411 1.846 1.804 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.439 3.303 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.546 3.580 1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.107 4.902 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.166 5.002 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.765 5.704 4.404 1.00 0.00 H new ATOM 546 N LEU A 37 0.345 1.820 -0.777 1.00 0.00 N ATOM 547 CA LEU A 37 1.396 2.826 -0.888 1.00 0.00 C ATOM 548 C LEU A 37 0.810 4.189 -1.241 1.00 0.00 C ATOM 549 O LEU A 37 -0.067 4.296 -2.097 1.00 0.00 O ATOM 550 CB LEU A 37 2.419 2.408 -1.947 1.00 0.00 C ATOM 551 CG LEU A 37 3.299 1.209 -1.593 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.121 0.776 -2.797 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.207 1.542 -0.418 1.00 0.00 C ATOM 0 H LEU A 37 -0.362 1.866 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 37 1.894 2.905 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.885 2.182 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.066 3.260 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 37 2.652 0.381 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.741 -0.078 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.453 0.496 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.759 1.600 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.826 0.677 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.847 2.385 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.600 1.803 0.449 1.00 0.00 H new ATOM 565 N GLY A 38 1.303 5.230 -0.577 1.00 0.00 N ATOM 566 CA GLY A 38 0.818 6.573 -0.836 1.00 0.00 C ATOM 567 C GLY A 38 1.925 7.518 -1.260 1.00 0.00 C ATOM 568 O GLY A 38 2.829 7.818 -0.479 1.00 0.00 O ATOM 0 H GLY A 38 2.030 5.167 0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.057 6.537 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.337 6.962 0.062 1.00 0.00 H new ATOM 572 N LYS A 39 1.857 7.987 -2.501 1.00 0.00 N ATOM 573 CA LYS A 39 2.861 8.903 -3.029 1.00 0.00 C ATOM 574 C LYS A 39 2.610 10.326 -2.542 1.00 0.00 C ATOM 575 O LYS A 39 1.742 11.028 -3.063 1.00 0.00 O ATOM 576 CB LYS A 39 2.858 8.869 -4.559 1.00 0.00 C ATOM 577 CG LYS A 39 3.995 9.656 -5.188 1.00 0.00 C ATOM 578 CD LYS A 39 4.316 9.153 -6.585 1.00 0.00 C ATOM 579 CE LYS A 39 5.726 9.540 -7.006 1.00 0.00 C ATOM 580 NZ LYS A 39 5.766 10.893 -7.628 1.00 0.00 N ATOM 0 H LYS A 39 1.117 7.748 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 39 3.837 8.580 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.918 7.833 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.909 9.265 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.727 10.711 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.883 9.579 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.211 8.069 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.598 9.563 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.383 9.520 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.109 8.804 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.743 11.121 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.159 10.905 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.424 11.599 -6.945 1.00 0.00 H new ATOM 594 N LEU A 40 3.374 10.747 -1.540 1.00 0.00 N ATOM 595 CA LEU A 40 3.235 12.088 -0.982 1.00 0.00 C ATOM 596 C LEU A 40 3.757 13.139 -1.956 1.00 0.00 C ATOM 597 O LEU A 40 4.960 13.232 -2.199 1.00 0.00 O ATOM 598 CB LEU A 40 3.985 12.189 0.347 1.00 0.00 C ATOM 599 CG LEU A 40 3.603 11.162 1.413 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.564 11.232 2.590 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.171 11.383 1.878 1.00 0.00 C ATOM 0 H LEU A 40 4.096 10.179 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 40 2.175 12.275 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.052 12.095 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.824 13.186 0.757 1.00 0.00 H new ATOM 0 HG LEU A 40 3.671 10.167 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.277 10.494 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.577 11.024 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.528 12.228 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.916 10.643 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.076 12.383 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.493 11.281 1.030 1.00 0.00 H new ATOM 613 N VAL A 41 2.844 13.931 -2.509 1.00 0.00 N ATOM 614 CA VAL A 41 3.213 14.979 -3.454 1.00 0.00 C ATOM 615 C VAL A 41 2.800 16.353 -2.940 1.00 0.00 C ATOM 616 O VAL A 41 1.853 16.477 -2.163 1.00 0.00 O ATOM 617 CB VAL A 41 2.568 14.744 -4.833 1.00 0.00 C ATOM 618 CG1 VAL A 41 3.035 13.422 -5.423 1.00 0.00 C ATOM 619 CG2 VAL A 41 1.051 14.783 -4.724 1.00 0.00 C ATOM 0 H VAL A 41 1.844 13.867 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 41 4.298 14.944 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 41 2.882 15.544 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.569 13.273 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.119 13.438 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.752 12.606 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.611 14.615 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.715 14.005 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.738 15.757 -4.348 1.00 0.00 H new ATOM 777 N MET A 52 -1.299 10.158 -2.855 1.00 0.00 N ATOM 778 CA MET A 52 -1.908 9.295 -3.860 1.00 0.00 C ATOM 779 C MET A 52 -1.941 7.846 -3.385 1.00 0.00 C ATOM 780 O MET A 52 -0.959 7.116 -3.521 1.00 0.00 O ATOM 781 CB MET A 52 -1.140 9.394 -5.180 1.00 0.00 C ATOM 782 CG MET A 52 -1.196 10.774 -5.813 1.00 0.00 C ATOM 783 SD MET A 52 -1.095 10.718 -7.613 1.00 0.00 S ATOM 784 CE MET A 52 -1.235 12.457 -8.015 1.00 0.00 C ATOM 0 HA MET A 52 -2.933 9.630 -4.018 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.098 9.125 -5.006 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.544 8.665 -5.882 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.123 11.266 -5.520 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.377 11.380 -5.426 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.189 12.585 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.185 12.841 -7.644 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.416 13.005 -7.550 1.00 0.00 H new ATOM 794 N TRP A 53 -3.075 7.437 -2.828 1.00 0.00 N ATOM 795 CA TRP A 53 -3.235 6.074 -2.333 1.00 0.00 C ATOM 796 C TRP A 53 -3.326 5.082 -3.487 1.00 0.00 C ATOM 797 O TRP A 53 -4.197 5.197 -4.348 1.00 0.00 O ATOM 798 CB TRP A 53 -4.484 5.972 -1.456 1.00 0.00 C ATOM 799 CG TRP A 53 -4.342 6.666 -0.136 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.119 7.681 0.345 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.361 6.399 0.872 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.681 8.060 1.590 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.604 7.288 1.937 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.302 5.493 0.980 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.826 7.297 3.092 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.531 5.503 2.126 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.796 6.399 3.170 1.00 0.00 C ATOM 0 H TRP A 53 -3.897 8.029 -2.708 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.358 5.826 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.332 6.398 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.712 4.920 -1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.956 8.121 -0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.091 8.797 2.164 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.090 4.797 0.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.028 7.988 3.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.710 4.808 2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.175 6.381 4.054 1.00 0.00 H new ATOM 818 N ASN A 54 -2.422 4.108 -3.498 1.00 0.00 N ATOM 819 CA ASN A 54 -2.401 3.096 -4.548 1.00 0.00 C ATOM 820 C ASN A 54 -1.937 1.751 -3.998 1.00 0.00 C ATOM 821 O ASN A 54 -0.995 1.716 -3.208 1.00 0.00 O ATOM 822 CB ASN A 54 -1.485 3.536 -5.691 1.00 0.00 C ATOM 823 CG ASN A 54 -1.743 4.968 -6.121 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.843 5.308 -6.555 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.726 5.813 -6.003 1.00 0.00 N ATOM 0 H ASN A 54 -1.694 3.998 -2.792 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.416 2.982 -4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.445 3.435 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.628 2.872 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.839 6.789 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.169 5.486 -5.638 1.00 0.00 H new ATOM 832 N HIS A 55 -2.600 0.686 -4.423 1.00 0.00 N ATOM 833 CA HIS A 55 -2.245 -0.647 -3.966 1.00 0.00 C ATOM 834 C HIS A 55 -0.742 -0.869 -4.149 1.00 0.00 C ATOM 835 O HIS A 55 -0.142 -0.479 -5.149 1.00 0.00 O ATOM 836 CB HIS A 55 -3.091 -1.707 -4.675 1.00 0.00 C ATOM 837 CG HIS A 55 -4.570 -1.604 -4.388 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.463 -1.005 -5.260 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.303 -2.031 -3.320 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.675 -1.072 -4.730 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.574 -1.708 -3.527 1.00 0.00 N ATOM 0 H HIS A 55 -3.381 0.719 -5.079 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.464 -0.741 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.933 -1.624 -5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.741 -2.695 -4.377 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.227 -0.583 -6.158 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.915 -2.545 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.583 -0.690 -5.172 1.00 0.00 H new ATOM 849 N ALA A 56 -0.144 -1.511 -3.151 1.00 0.00 N ATOM 850 CA ALA A 56 1.284 -1.801 -3.176 1.00 0.00 C ATOM 851 C ALA A 56 1.677 -2.515 -4.465 1.00 0.00 C ATOM 852 O ALA A 56 2.838 -2.487 -4.872 1.00 0.00 O ATOM 853 CB ALA A 56 1.674 -2.639 -1.967 1.00 0.00 C ATOM 0 H ALA A 56 -0.627 -1.840 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 56 1.822 -0.854 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.743 -2.848 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.438 -2.092 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.120 -3.578 -1.981 1.00 0.00 H new ATOM 859 N SER A 57 0.701 -3.154 -5.103 1.00 0.00 N ATOM 860 CA SER A 57 0.946 -3.879 -6.344 1.00 0.00 C ATOM 861 C SER A 57 0.660 -2.996 -7.555 1.00 0.00 C ATOM 862 O SER A 57 1.170 -3.238 -8.649 1.00 0.00 O ATOM 863 CB SER A 57 0.082 -5.140 -6.402 1.00 0.00 C ATOM 864 OG SER A 57 0.085 -5.701 -7.703 1.00 0.00 O ATOM 0 H SER A 57 -0.266 -3.184 -4.781 1.00 0.00 H new ATOM 0 HA SER A 57 1.997 -4.166 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.454 -5.873 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.940 -4.898 -6.109 1.00 0.00 H new ATOM 0 HG SER A 57 -0.473 -6.506 -7.713 1.00 0.00 H new ATOM 870 N CYS A 58 -0.160 -1.971 -7.351 1.00 0.00 N ATOM 871 CA CYS A 58 -0.516 -1.050 -8.423 1.00 0.00 C ATOM 872 C CYS A 58 0.635 -0.094 -8.725 1.00 0.00 C ATOM 873 O CYS A 58 0.759 0.411 -9.841 1.00 0.00 O ATOM 874 CB CYS A 58 -1.768 -0.255 -8.047 1.00 0.00 C ATOM 875 SG CYS A 58 -3.327 -1.169 -8.280 1.00 0.00 S ATOM 0 H CYS A 58 -0.591 -1.757 -6.452 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.722 -1.637 -9.318 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.691 0.051 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.800 0.656 -8.645 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.556 -1.320 -9.551 1.00 0.00 H new ATOM 880 N ILE A 59 1.473 0.148 -7.723 1.00 0.00 N ATOM 881 CA ILE A 59 2.614 1.041 -7.882 1.00 0.00 C ATOM 882 C ILE A 59 3.850 0.277 -8.344 1.00 0.00 C ATOM 883 O ILE A 59 4.467 0.625 -9.352 1.00 0.00 O ATOM 884 CB ILE A 59 2.940 1.776 -6.568 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.733 2.590 -6.100 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.154 2.675 -6.752 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.472 3.821 -6.939 1.00 0.00 C ATOM 0 H ILE A 59 1.384 -0.261 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 59 2.338 1.774 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 59 3.173 1.036 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.848 1.954 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.888 2.892 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.372 3.188 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.013 2.071 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.947 3.411 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.602 4.349 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.341 4.477 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.284 3.525 -7.971 1.00 0.00 H new ATOM 899 N LEU A 60 4.205 -0.767 -7.604 1.00 0.00 N ATOM 900 CA LEU A 60 5.367 -1.583 -7.939 1.00 0.00 C ATOM 901 C LEU A 60 5.325 -2.017 -9.401 1.00 0.00 C ATOM 902 O LEU A 60 6.356 -2.086 -10.069 1.00 0.00 O ATOM 903 CB LEU A 60 5.430 -2.813 -7.032 1.00 0.00 C ATOM 904 CG LEU A 60 5.686 -2.541 -5.549 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.537 -3.820 -4.739 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.068 -1.938 -5.348 1.00 0.00 C ATOM 0 H LEU A 60 3.705 -1.069 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 60 6.261 -0.979 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.489 -3.356 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.216 -3.472 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 60 4.945 -1.824 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.723 -3.608 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.526 -4.210 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.255 -4.560 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.233 -1.751 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.824 -2.631 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.139 -0.999 -5.897 1.00 0.00 H new ATOM 918 N LYS A 61 4.124 -2.305 -9.892 1.00 0.00 N ATOM 919 CA LYS A 61 3.945 -2.729 -11.276 1.00 0.00 C ATOM 920 C LYS A 61 4.408 -1.642 -12.241 1.00 0.00 C ATOM 921 O LYS A 61 4.906 -1.934 -13.329 1.00 0.00 O ATOM 922 CB LYS A 61 2.477 -3.070 -11.540 1.00 0.00 C ATOM 923 CG LYS A 61 1.516 -1.959 -11.156 1.00 0.00 C ATOM 924 CD LYS A 61 1.226 -1.040 -12.332 1.00 0.00 C ATOM 925 CE LYS A 61 0.311 -1.707 -13.348 1.00 0.00 C ATOM 926 NZ LYS A 61 0.349 -1.016 -14.666 1.00 0.00 N ATOM 0 H LYS A 61 3.260 -2.253 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 61 4.553 -3.619 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.351 -3.299 -12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.217 -3.972 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.584 -2.392 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.938 -1.379 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.763 -0.121 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.162 -0.758 -12.814 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.607 -2.748 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.711 -1.710 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.288 -1.501 -15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.042 -0.029 -14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.319 -1.035 -15.040 1.00 0.00 H new ATOM 940 N LYS A 62 4.240 -0.387 -11.837 1.00 0.00 N ATOM 941 CA LYS A 62 4.643 0.744 -12.665 1.00 0.00 C ATOM 942 C LYS A 62 6.157 0.926 -12.638 1.00 0.00 C ATOM 943 O LYS A 62 6.880 0.117 -12.057 1.00 0.00 O ATOM 944 CB LYS A 62 3.955 2.024 -12.184 1.00 0.00 C ATOM 945 CG LYS A 62 2.505 2.136 -12.620 1.00 0.00 C ATOM 946 CD LYS A 62 1.987 3.557 -12.473 1.00 0.00 C ATOM 947 CE LYS A 62 0.488 3.580 -12.217 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.288 3.184 -13.425 1.00 0.00 N ATOM 0 H LYS A 62 3.827 -0.128 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 62 4.339 0.539 -13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.003 2.065 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.506 2.886 -12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.411 1.819 -13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.892 1.461 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.505 4.051 -11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.211 4.123 -13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.250 2.905 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.188 4.580 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.247 3.583 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.187 3.545 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.347 2.147 -13.475 1.00 0.00 H new ATOM 962 N THR A 63 6.631 1.996 -13.269 1.00 0.00 N ATOM 963 CA THR A 63 8.059 2.285 -13.317 1.00 0.00 C ATOM 964 C THR A 63 8.348 3.707 -12.852 1.00 0.00 C ATOM 965 O THR A 63 7.467 4.568 -12.868 1.00 0.00 O ATOM 966 CB THR A 63 8.622 2.097 -14.738 1.00 0.00 C ATOM 967 OG1 THR A 63 7.884 1.082 -15.428 1.00 0.00 O ATOM 968 CG2 THR A 63 10.094 1.717 -14.691 1.00 0.00 C ATOM 0 H THR A 63 6.046 2.677 -13.754 1.00 0.00 H new ATOM 0 HA THR A 63 8.547 1.580 -12.644 1.00 0.00 H new ATOM 0 HB THR A 63 8.524 3.043 -15.271 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.247 0.970 -16.331 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.469 1.590 -15.706 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.658 2.505 -14.192 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.211 0.783 -14.141 1.00 0.00 H new ATOM 976 N LYS A 64 9.587 3.949 -12.439 1.00 0.00 N ATOM 977 CA LYS A 64 9.994 5.269 -11.970 1.00 0.00 C ATOM 978 C LYS A 64 9.059 5.770 -10.874 1.00 0.00 C ATOM 979 O LYS A 64 8.535 6.880 -10.953 1.00 0.00 O ATOM 980 CB LYS A 64 10.011 6.263 -13.134 1.00 0.00 C ATOM 981 CG LYS A 64 10.987 5.890 -14.237 1.00 0.00 C ATOM 982 CD LYS A 64 11.404 7.107 -15.046 1.00 0.00 C ATOM 983 CE LYS A 64 11.825 6.721 -16.456 1.00 0.00 C ATOM 984 NZ LYS A 64 12.772 7.710 -17.042 1.00 0.00 N ATOM 0 H LYS A 64 10.328 3.248 -12.419 1.00 0.00 H new ATOM 0 HA LYS A 64 10.999 5.186 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.008 6.333 -13.556 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.267 7.252 -12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.869 5.422 -13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.528 5.153 -14.896 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.577 7.815 -15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.229 7.613 -14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.293 5.737 -16.439 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.942 6.644 -17.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.035 7.412 -18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.317 8.644 -17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.626 7.766 -16.451 1.00 0.00 H new ATOM 998 N GLN A 65 8.855 4.944 -9.853 1.00 0.00 N ATOM 999 CA GLN A 65 7.984 5.304 -8.741 1.00 0.00 C ATOM 1000 C GLN A 65 8.786 5.483 -7.457 1.00 0.00 C ATOM 1001 O GLN A 65 8.682 6.511 -6.787 1.00 0.00 O ATOM 1002 CB GLN A 65 6.909 4.235 -8.540 1.00 0.00 C ATOM 1003 CG GLN A 65 6.143 3.896 -9.809 1.00 0.00 C ATOM 1004 CD GLN A 65 5.161 4.980 -10.205 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.509 5.584 -9.354 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.050 5.233 -11.504 1.00 0.00 N ATOM 0 H GLN A 65 9.281 4.021 -9.773 1.00 0.00 H new ATOM 0 HA GLN A 65 7.503 6.252 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.377 3.329 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.205 4.577 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.850 3.736 -10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.605 2.959 -9.665 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.610 4.708 -12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.405 5.952 -11.830 1.00 0.00 H new ATOM 1015 N ILE A 66 9.585 4.477 -7.119 1.00 0.00 N ATOM 1016 CA ILE A 66 10.405 4.525 -5.915 1.00 0.00 C ATOM 1017 C ILE A 66 11.887 4.399 -6.254 1.00 0.00 C ATOM 1018 O ILE A 66 12.270 3.635 -7.140 1.00 0.00 O ATOM 1019 CB ILE A 66 10.020 3.408 -4.927 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.544 3.526 -4.541 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.902 3.468 -3.689 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.051 2.385 -3.679 1.00 0.00 C ATOM 0 H ILE A 66 9.682 3.619 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 66 10.222 5.492 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 66 10.174 2.445 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.390 4.465 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.942 3.571 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.617 2.672 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.945 3.341 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.776 4.434 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.997 2.535 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.173 1.444 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.627 2.352 -2.754 1.00 0.00 H new ATOM 1034 N LYS A 67 12.717 5.152 -5.540 1.00 0.00 N ATOM 1035 CA LYS A 67 14.158 5.123 -5.762 1.00 0.00 C ATOM 1036 C LYS A 67 14.823 4.067 -4.885 1.00 0.00 C ATOM 1037 O LYS A 67 15.609 3.252 -5.367 1.00 0.00 O ATOM 1038 CB LYS A 67 14.766 6.498 -5.473 1.00 0.00 C ATOM 1039 CG LYS A 67 16.103 6.727 -6.157 1.00 0.00 C ATOM 1040 CD LYS A 67 16.645 8.118 -5.869 1.00 0.00 C ATOM 1041 CE LYS A 67 16.133 9.135 -6.878 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.019 10.495 -6.284 1.00 0.00 N ATOM 0 H LYS A 67 12.417 5.790 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 67 14.335 4.866 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.066 7.270 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.894 6.611 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.819 5.979 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.990 6.595 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.353 8.422 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.735 8.097 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.806 9.168 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.159 8.818 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.667 11.159 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.357 10.469 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.953 10.808 -5.951 1.00 0.00 H new ATOM 1056 N SER A 68 14.501 4.087 -3.595 1.00 0.00 N ATOM 1057 CA SER A 68 15.069 3.132 -2.651 1.00 0.00 C ATOM 1058 C SER A 68 14.119 2.896 -1.480 1.00 0.00 C ATOM 1059 O SER A 68 13.336 3.773 -1.114 1.00 0.00 O ATOM 1060 CB SER A 68 16.418 3.634 -2.134 1.00 0.00 C ATOM 1061 OG SER A 68 16.865 2.859 -1.036 1.00 0.00 O ATOM 0 H SER A 68 13.850 4.754 -3.180 1.00 0.00 H new ATOM 0 HA SER A 68 15.217 2.187 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.156 3.594 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.330 4.678 -1.834 1.00 0.00 H new ATOM 0 HG SER A 68 17.730 3.200 -0.726 1.00 0.00 H new ATOM 1067 N VAL A 69 14.196 1.705 -0.895 1.00 0.00 N ATOM 1068 CA VAL A 69 13.345 1.352 0.235 1.00 0.00 C ATOM 1069 C VAL A 69 13.494 2.359 1.371 1.00 0.00 C ATOM 1070 O VAL A 69 12.626 2.465 2.237 1.00 0.00 O ATOM 1071 CB VAL A 69 13.672 -0.056 0.766 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.220 -1.119 -0.223 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.161 -0.183 1.055 1.00 0.00 C ATOM 0 H VAL A 69 14.839 0.968 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 69 12.317 1.366 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 69 13.129 -0.209 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.460 -2.107 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.144 -1.040 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.732 -0.973 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.375 -1.184 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.726 -0.010 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.450 0.554 1.804 1.00 0.00 H new ATOM 1083 N ASP A 70 14.599 3.096 1.359 1.00 0.00 N ATOM 1084 CA ASP A 70 14.862 4.097 2.387 1.00 0.00 C ATOM 1085 C ASP A 70 13.908 5.279 2.250 1.00 0.00 C ATOM 1086 O ASP A 70 13.606 5.962 3.229 1.00 0.00 O ATOM 1087 CB ASP A 70 16.310 4.580 2.299 1.00 0.00 C ATOM 1088 CG ASP A 70 16.631 5.638 3.336 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.438 5.366 4.540 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.073 6.739 2.945 1.00 0.00 O ATOM 0 H ASP A 70 15.327 3.019 0.649 1.00 0.00 H new ATOM 0 HA ASP A 70 14.701 3.635 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.982 3.732 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.496 4.983 1.303 1.00 0.00 H new ATOM 1095 N ASP A 71 13.439 5.516 1.031 1.00 0.00 N ATOM 1096 CA ASP A 71 12.519 6.617 0.766 1.00 0.00 C ATOM 1097 C ASP A 71 11.106 6.267 1.223 1.00 0.00 C ATOM 1098 O ASP A 71 10.246 7.139 1.338 1.00 0.00 O ATOM 1099 CB ASP A 71 12.515 6.959 -0.725 1.00 0.00 C ATOM 1100 CG ASP A 71 13.713 7.796 -1.130 1.00 0.00 C ATOM 1101 OD1 ASP A 71 13.771 8.978 -0.734 1.00 0.00 O ATOM 1102 OD2 ASP A 71 14.592 7.268 -1.843 1.00 0.00 O ATOM 0 H ASP A 71 13.680 4.961 0.210 1.00 0.00 H new ATOM 0 HA ASP A 71 12.860 7.486 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.506 6.037 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.600 7.498 -0.969 1.00 0.00 H new ATOM 1107 N VAL A 72 10.875 4.984 1.483 1.00 0.00 N ATOM 1108 CA VAL A 72 9.567 4.518 1.928 1.00 0.00 C ATOM 1109 C VAL A 72 9.461 4.549 3.448 1.00 0.00 C ATOM 1110 O VAL A 72 10.309 4.001 4.151 1.00 0.00 O ATOM 1111 CB VAL A 72 9.283 3.087 1.434 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.897 2.636 1.870 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.428 3.007 -0.078 1.00 0.00 C ATOM 0 H VAL A 72 11.577 4.249 1.393 1.00 0.00 H new ATOM 0 HA VAL A 72 8.828 5.195 1.501 1.00 0.00 H new ATOM 0 HB VAL A 72 10.015 2.415 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.715 1.623 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.834 2.653 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.148 3.309 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.224 1.989 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.721 3.690 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.443 3.284 -0.361 1.00 0.00 H new ATOM 1123 N GLU A 73 8.412 5.194 3.950 1.00 0.00 N ATOM 1124 CA GLU A 73 8.195 5.297 5.388 1.00 0.00 C ATOM 1125 C GLU A 73 7.324 4.149 5.890 1.00 0.00 C ATOM 1126 O GLU A 73 6.603 3.519 5.119 1.00 0.00 O ATOM 1127 CB GLU A 73 7.541 6.637 5.733 1.00 0.00 C ATOM 1128 CG GLU A 73 7.452 6.904 7.226 1.00 0.00 C ATOM 1129 CD GLU A 73 6.762 8.216 7.544 1.00 0.00 C ATOM 1130 OE1 GLU A 73 7.377 9.280 7.316 1.00 0.00 O ATOM 1131 OE2 GLU A 73 5.609 8.181 8.020 1.00 0.00 O ATOM 0 H GLU A 73 7.700 5.653 3.382 1.00 0.00 H new ATOM 0 HA GLU A 73 9.165 5.237 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.108 7.440 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.538 6.662 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.911 6.088 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.456 6.914 7.650 1.00 0.00 H new ATOM 1138 N GLY A 74 7.399 3.883 7.191 1.00 0.00 N ATOM 1139 CA GLY A 74 6.614 2.811 7.775 1.00 0.00 C ATOM 1140 C GLY A 74 6.771 1.503 7.025 1.00 0.00 C ATOM 1141 O GLY A 74 5.905 0.631 7.098 1.00 0.00 O ATOM 0 H GLY A 74 7.989 4.391 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.914 2.669 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.562 3.098 7.783 1.00 0.00 H new ATOM 1145 N ILE A 75 7.877 1.366 6.302 1.00 0.00 N ATOM 1146 CA ILE A 75 8.143 0.156 5.536 1.00 0.00 C ATOM 1147 C ILE A 75 8.538 -0.998 6.451 1.00 0.00 C ATOM 1148 O ILE A 75 8.276 -2.162 6.147 1.00 0.00 O ATOM 1149 CB ILE A 75 9.260 0.379 4.499 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.303 -0.783 3.505 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.603 0.540 5.194 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.092 -0.477 2.251 1.00 0.00 C ATOM 0 H ILE A 75 8.603 2.079 6.231 1.00 0.00 H new ATOM 0 HA ILE A 75 7.220 -0.096 5.014 1.00 0.00 H new ATOM 0 HB ILE A 75 9.047 1.295 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.739 -1.654 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.284 -1.050 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.382 0.697 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.565 1.398 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.826 -0.359 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.080 -1.345 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.644 0.374 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.122 -0.239 2.518 1.00 0.00 H new ATOM 1164 N GLU A 76 9.169 -0.667 7.573 1.00 0.00 N ATOM 1165 CA GLU A 76 9.600 -1.677 8.533 1.00 0.00 C ATOM 1166 C GLU A 76 8.399 -2.315 9.227 1.00 0.00 C ATOM 1167 O GLU A 76 8.517 -3.372 9.847 1.00 0.00 O ATOM 1168 CB GLU A 76 10.534 -1.057 9.574 1.00 0.00 C ATOM 1169 CG GLU A 76 9.859 -0.021 10.458 1.00 0.00 C ATOM 1170 CD GLU A 76 10.484 0.066 11.836 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.460 -0.949 12.564 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.998 1.149 12.188 1.00 0.00 O ATOM 0 H GLU A 76 9.393 0.292 7.840 1.00 0.00 H new ATOM 0 HA GLU A 76 10.138 -2.453 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.940 -1.849 10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.377 -0.592 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.915 0.955 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.802 -0.267 10.558 1.00 0.00 H new ATOM 1179 N SER A 77 7.245 -1.664 9.117 1.00 0.00 N ATOM 1180 CA SER A 77 6.024 -2.165 9.737 1.00 0.00 C ATOM 1181 C SER A 77 5.309 -3.146 8.813 1.00 0.00 C ATOM 1182 O SER A 77 4.473 -3.936 9.255 1.00 0.00 O ATOM 1183 CB SER A 77 5.091 -1.003 10.086 1.00 0.00 C ATOM 1184 OG SER A 77 3.815 -1.475 10.481 1.00 0.00 O ATOM 0 H SER A 77 7.130 -0.789 8.605 1.00 0.00 H new ATOM 0 HA SER A 77 6.299 -2.689 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.528 -0.410 10.890 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.988 -0.344 9.224 1.00 0.00 H new ATOM 0 HG SER A 77 3.238 -0.714 10.700 1.00 0.00 H new ATOM 1190 N LEU A 78 5.643 -3.090 7.529 1.00 0.00 N ATOM 1191 CA LEU A 78 5.033 -3.973 6.541 1.00 0.00 C ATOM 1192 C LEU A 78 5.539 -5.403 6.703 1.00 0.00 C ATOM 1193 O LEU A 78 6.648 -5.628 7.188 1.00 0.00 O ATOM 1194 CB LEU A 78 5.332 -3.472 5.127 1.00 0.00 C ATOM 1195 CG LEU A 78 5.083 -1.985 4.875 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.434 -1.620 3.440 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.636 -1.627 5.179 1.00 0.00 C ATOM 0 H LEU A 78 6.333 -2.443 7.147 1.00 0.00 H new ATOM 0 HA LEU A 78 3.955 -3.968 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.376 -3.689 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.727 -4.045 4.425 1.00 0.00 H new ATOM 0 HG LEU A 78 5.726 -1.411 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.250 -0.558 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.486 -1.838 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.818 -2.202 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.477 -0.565 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.975 -2.210 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.418 -1.850 6.223 1.00 0.00 H new ATOM 1209 N ARG A 79 4.718 -6.365 6.294 1.00 0.00 N ATOM 1210 CA ARG A 79 5.083 -7.773 6.393 1.00 0.00 C ATOM 1211 C ARG A 79 6.319 -8.076 5.552 1.00 0.00 C ATOM 1212 O ARG A 79 6.517 -7.489 4.488 1.00 0.00 O ATOM 1213 CB ARG A 79 3.918 -8.656 5.942 1.00 0.00 C ATOM 1214 CG ARG A 79 2.962 -9.025 7.065 1.00 0.00 C ATOM 1215 CD ARG A 79 1.781 -9.831 6.549 1.00 0.00 C ATOM 1216 NE ARG A 79 2.101 -11.251 6.422 1.00 0.00 N ATOM 1217 CZ ARG A 79 1.189 -12.193 6.207 1.00 0.00 C ATOM 1218 NH1 ARG A 79 -0.091 -11.868 6.097 1.00 0.00 N ATOM 1219 NH2 ARG A 79 1.559 -13.463 6.103 1.00 0.00 N ATOM 0 H ARG A 79 3.796 -6.195 5.891 1.00 0.00 H new ATOM 0 HA ARG A 79 5.313 -7.990 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.363 -8.139 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.316 -9.570 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.494 -9.601 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.601 -8.118 7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.935 -9.709 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.472 -9.441 5.579 1.00 0.00 H new ATOM 0 HE ARG A 79 3.077 -11.534 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.378 -10.893 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.789 -12.593 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.543 -13.716 6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.859 -14.186 5.938 1.00 0.00 H new ATOM 1233 N TRP A 80 7.148 -8.993 6.037 1.00 0.00 N ATOM 1234 CA TRP A 80 8.366 -9.373 5.330 1.00 0.00 C ATOM 1235 C TRP A 80 8.134 -9.405 3.824 1.00 0.00 C ATOM 1236 O TRP A 80 8.790 -8.686 3.071 1.00 0.00 O ATOM 1237 CB TRP A 80 8.855 -10.740 5.812 1.00 0.00 C ATOM 1238 CG TRP A 80 9.792 -11.408 4.852 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.042 -10.986 4.500 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.553 -12.615 4.121 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.595 -11.858 3.594 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.702 -12.867 3.345 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.482 -13.509 4.047 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 10.806 -13.973 2.507 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.586 -14.607 3.214 1.00 0.00 C ATOM 1246 CH2 TRP A 80 9.742 -14.832 2.454 1.00 0.00 C ATOM 0 H TRP A 80 6.999 -9.487 6.917 1.00 0.00 H new ATOM 0 HA TRP A 80 9.129 -8.625 5.545 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.355 -10.621 6.773 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.994 -11.388 5.979 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.525 -10.097 4.878 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.520 -11.769 3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.588 -13.345 4.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.695 -14.147 1.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.763 -15.303 3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.794 -15.700 1.814 1.00 0.00 H new ATOM 1257 N GLU A 81 7.196 -10.242 3.391 1.00 0.00 N ATOM 1258 CA GLU A 81 6.879 -10.366 1.973 1.00 0.00 C ATOM 1259 C GLU A 81 6.719 -8.991 1.329 1.00 0.00 C ATOM 1260 O GLU A 81 7.211 -8.750 0.226 1.00 0.00 O ATOM 1261 CB GLU A 81 5.598 -11.182 1.784 1.00 0.00 C ATOM 1262 CG GLU A 81 4.327 -10.381 2.012 1.00 0.00 C ATOM 1263 CD GLU A 81 3.072 -11.206 1.800 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.025 -12.352 2.295 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.138 -10.707 1.139 1.00 0.00 O ATOM 0 H GLU A 81 6.643 -10.844 4.001 1.00 0.00 H new ATOM 0 HA GLU A 81 7.706 -10.882 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.583 -11.591 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.612 -12.029 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.329 -9.984 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.314 -9.526 1.336 1.00 0.00 H new ATOM 1272 N ASP A 82 6.029 -8.095 2.025 1.00 0.00 N ATOM 1273 CA ASP A 82 5.804 -6.745 1.523 1.00 0.00 C ATOM 1274 C ASP A 82 7.122 -5.989 1.387 1.00 0.00 C ATOM 1275 O ASP A 82 7.444 -5.472 0.318 1.00 0.00 O ATOM 1276 CB ASP A 82 4.858 -5.983 2.452 1.00 0.00 C ATOM 1277 CG ASP A 82 3.474 -6.601 2.503 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.051 -7.193 1.488 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.816 -6.493 3.558 1.00 0.00 O ATOM 0 H ASP A 82 5.616 -8.279 2.939 1.00 0.00 H new ATOM 0 HA ASP A 82 5.347 -6.823 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.280 -5.961 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.779 -4.949 2.117 1.00 0.00 H new ATOM 1284 N GLN A 83 7.879 -5.929 2.478 1.00 0.00 N ATOM 1285 CA GLN A 83 9.161 -5.235 2.481 1.00 0.00 C ATOM 1286 C GLN A 83 10.047 -5.724 1.341 1.00 0.00 C ATOM 1287 O GLN A 83 10.900 -4.987 0.846 1.00 0.00 O ATOM 1288 CB GLN A 83 9.873 -5.439 3.820 1.00 0.00 C ATOM 1289 CG GLN A 83 9.054 -4.990 5.019 1.00 0.00 C ATOM 1290 CD GLN A 83 9.913 -4.675 6.227 1.00 0.00 C ATOM 1291 OE1 GLN A 83 10.918 -3.970 6.123 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.522 -5.196 7.384 1.00 0.00 N ATOM 0 H GLN A 83 7.627 -6.353 3.371 1.00 0.00 H new ATOM 0 HA GLN A 83 8.970 -4.171 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.120 -6.495 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.815 -4.891 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.476 -4.106 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.340 -5.771 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.683 -5.774 7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.061 -5.018 8.232 1.00 0.00 H new ATOM 1301 N GLN A 84 9.840 -6.970 0.929 1.00 0.00 N ATOM 1302 CA GLN A 84 10.621 -7.558 -0.153 1.00 0.00 C ATOM 1303 C GLN A 84 10.192 -6.993 -1.503 1.00 0.00 C ATOM 1304 O GLN A 84 11.025 -6.724 -2.369 1.00 0.00 O ATOM 1305 CB GLN A 84 10.470 -9.080 -0.151 1.00 0.00 C ATOM 1306 CG GLN A 84 10.853 -9.728 1.169 1.00 0.00 C ATOM 1307 CD GLN A 84 12.314 -10.128 1.221 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.022 -9.654 2.240 1.00 0.00 O flip ATOM 1309 NE2 GLN A 84 12.802 -10.855 0.355 1.00 0.00 N flip ATOM 0 H GLN A 84 9.138 -7.593 1.328 1.00 0.00 H new ATOM 0 HA GLN A 84 11.669 -7.305 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.436 -9.334 -0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.088 -9.499 -0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.641 -9.036 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.233 -10.610 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.221 -11.197 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.787 -11.115 0.403 1.00 0.00 H new ATOM 1318 N LYS A 85 8.887 -6.816 -1.677 1.00 0.00 N ATOM 1319 CA LYS A 85 8.345 -6.283 -2.921 1.00 0.00 C ATOM 1320 C LYS A 85 8.896 -4.888 -3.200 1.00 0.00 C ATOM 1321 O LYS A 85 8.914 -4.436 -4.346 1.00 0.00 O ATOM 1322 CB LYS A 85 6.817 -6.236 -2.857 1.00 0.00 C ATOM 1323 CG LYS A 85 6.175 -7.596 -2.645 1.00 0.00 C ATOM 1324 CD LYS A 85 4.675 -7.477 -2.431 1.00 0.00 C ATOM 1325 CE LYS A 85 4.145 -8.607 -1.560 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.664 -8.730 -1.653 1.00 0.00 N ATOM 0 H LYS A 85 8.184 -7.034 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 85 8.648 -6.944 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.516 -5.571 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.436 -5.804 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.371 -8.231 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.629 -8.083 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.448 -6.519 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.167 -7.490 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.607 -9.547 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.431 -8.431 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.342 -9.510 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.222 -7.842 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.393 -8.923 -2.638 1.00 0.00 H new ATOM 1340 N ILE A 86 9.346 -4.213 -2.148 1.00 0.00 N ATOM 1341 CA ILE A 86 9.900 -2.871 -2.282 1.00 0.00 C ATOM 1342 C ILE A 86 11.363 -2.920 -2.707 1.00 0.00 C ATOM 1343 O ILE A 86 11.720 -2.466 -3.794 1.00 0.00 O ATOM 1344 CB ILE A 86 9.785 -2.081 -0.965 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.421 -2.325 -0.316 1.00 0.00 C ATOM 1346 CG2 ILE A 86 9.999 -0.596 -1.218 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.292 -1.567 -0.978 1.00 0.00 C ATOM 0 H ILE A 86 9.338 -4.573 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 86 9.318 -2.364 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 86 10.559 -2.429 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.199 -3.392 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.472 -2.040 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.915 -0.051 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 86 10.991 -0.438 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.245 -0.234 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.356 -1.788 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.491 -0.497 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.214 -1.869 -2.022 1.00 0.00 H new ATOM 1359 N ARG A 87 12.206 -3.476 -1.843 1.00 0.00 N ATOM 1360 CA ARG A 87 13.632 -3.586 -2.128 1.00 0.00 C ATOM 1361 C ARG A 87 13.867 -4.298 -3.457 1.00 0.00 C ATOM 1362 O ARG A 87 14.775 -3.947 -4.210 1.00 0.00 O ATOM 1363 CB ARG A 87 14.343 -4.337 -1.002 1.00 0.00 C ATOM 1364 CG ARG A 87 13.895 -5.783 -0.856 1.00 0.00 C ATOM 1365 CD ARG A 87 14.001 -6.256 0.585 1.00 0.00 C ATOM 1366 NE ARG A 87 14.299 -7.683 0.672 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.507 -8.196 0.467 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.525 -7.402 0.166 1.00 0.00 N ATOM 1369 NH2 ARG A 87 15.698 -9.505 0.564 1.00 0.00 N ATOM 0 H ARG A 87 11.926 -3.858 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 87 14.042 -2.578 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.417 -4.315 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.168 -3.815 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.865 -5.882 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.506 -6.421 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.781 -5.691 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.065 -6.049 1.104 1.00 0.00 H new ATOM 0 HE ARG A 87 13.537 -8.321 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.382 -6.395 0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.452 -7.798 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.917 -10.119 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.626 -9.898 0.406 1.00 0.00 H new ATOM 1383 N LYS A 88 13.042 -5.302 -3.738 1.00 0.00 N ATOM 1384 CA LYS A 88 13.159 -6.065 -4.975 1.00 0.00 C ATOM 1385 C LYS A 88 12.682 -5.242 -6.168 1.00 0.00 C ATOM 1386 O LYS A 88 12.684 -5.718 -7.304 1.00 0.00 O ATOM 1387 CB LYS A 88 12.348 -7.359 -4.879 1.00 0.00 C ATOM 1388 CG LYS A 88 12.728 -8.227 -3.691 1.00 0.00 C ATOM 1389 CD LYS A 88 13.820 -9.219 -4.052 1.00 0.00 C ATOM 1390 CE LYS A 88 14.041 -10.234 -2.940 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.162 -11.163 -3.252 1.00 0.00 N ATOM 0 H LYS A 88 12.285 -5.606 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 88 14.210 -6.312 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.289 -7.110 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.484 -7.932 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.067 -7.594 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.849 -8.765 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.552 -9.738 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.749 -8.684 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.252 -9.711 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.127 -10.807 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.281 -11.839 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.950 -11.681 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.040 -10.619 -3.375 1.00 0.00 H new ATOM 1405 N TYR A 89 12.276 -4.005 -5.904 1.00 0.00 N ATOM 1406 CA TYR A 89 11.796 -3.117 -6.955 1.00 0.00 C ATOM 1407 C TYR A 89 12.773 -1.969 -7.187 1.00 0.00 C ATOM 1408 O TYR A 89 13.027 -1.575 -8.326 1.00 0.00 O ATOM 1409 CB TYR A 89 10.417 -2.562 -6.594 1.00 0.00 C ATOM 1410 CG TYR A 89 10.040 -1.322 -7.372 1.00 0.00 C ATOM 1411 CD1 TYR A 89 10.492 -0.068 -6.982 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.232 -1.405 -8.500 1.00 0.00 C ATOM 1413 CE1 TYR A 89 10.150 1.067 -7.690 1.00 0.00 C ATOM 1414 CE2 TYR A 89 8.885 -0.275 -9.215 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.346 0.959 -8.806 1.00 0.00 C ATOM 1416 OH TYR A 89 9.003 2.087 -9.515 1.00 0.00 O ATOM 0 H TYR A 89 12.270 -3.595 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 89 11.718 -3.696 -7.875 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.667 -3.333 -6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.395 -2.333 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.122 0.021 -6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.869 -2.370 -8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.510 2.034 -7.372 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.256 -0.357 -10.089 1.00 0.00 H new ATOM 0 HH TYR A 89 8.434 1.837 -10.273 1.00 0.00 H new ATOM 1426 N VAL A 90 13.320 -1.437 -6.099 1.00 0.00 N ATOM 1427 CA VAL A 90 14.272 -0.336 -6.182 1.00 0.00 C ATOM 1428 C VAL A 90 15.606 -0.804 -6.753 1.00 0.00 C ATOM 1429 O VAL A 90 16.265 -0.074 -7.492 1.00 0.00 O ATOM 1430 CB VAL A 90 14.513 0.303 -4.801 1.00 0.00 C ATOM 1431 CG1 VAL A 90 13.277 1.061 -4.341 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.906 -0.758 -3.785 1.00 0.00 C ATOM 0 H VAL A 90 13.120 -1.751 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 90 13.837 0.409 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 90 15.335 1.014 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.466 1.506 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.044 1.848 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.434 0.374 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 90 15.072 -0.289 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.107 -1.494 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.821 -1.252 -4.111 1.00 0.00 H new ATOM 1442 N GLU A 91 15.996 -2.026 -6.404 1.00 0.00 N ATOM 1443 CA GLU A 91 17.253 -2.591 -6.882 1.00 0.00 C ATOM 1444 C GLU A 91 17.159 -2.952 -8.362 1.00 0.00 C ATOM 1445 O GLU A 91 18.053 -2.639 -9.147 1.00 0.00 O ATOM 1446 CB GLU A 91 17.624 -3.830 -6.065 1.00 0.00 C ATOM 1447 CG GLU A 91 18.010 -3.520 -4.629 1.00 0.00 C ATOM 1448 CD GLU A 91 19.448 -3.057 -4.499 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.256 -3.369 -5.398 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.765 -2.382 -3.497 1.00 0.00 O ATOM 0 H GLU A 91 15.461 -2.643 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 91 18.031 -1.838 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.780 -4.520 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.454 -4.341 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.347 -2.749 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.862 -4.409 -4.017 1.00 0.00 H new