USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 ASN : amide:sc= 0.853 K(o=1.8,f=-4.3) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -161:sc= 0.969 (180deg=-0.0168) USER MOD Set 2.1: A 64 ASN : amide:sc= 0.918 K(o=2,f=-1.4) USER MOD Set 2.2: A 68 SER OG : rot 144:sc= 1.06 USER MOD Set 3.1: A 60 TYR OH : rot -0:sc= 1.38 USER MOD Set 3.2: B 157 THR OG1 : rot -160:sc= 1.06 USER MOD Set 4.1: A 52 HIS : no HE2:sc= 0.83 K(o=0.45,f=-3.1!) USER MOD Set 4.2: A 86 MET CE :methyl 180:sc= -0.375 (180deg=-0.281) USER MOD Set 5.1: A 26 SER OG : rot -46:sc= 0.924 USER MOD Set 5.2: A 28 THR OG1 : rot -156:sc= 1.81 USER MOD Set 5.3: A 96 TYR OH : rot 80:sc= 0.0088 USER MOD Set 5.4: A 98 SER OG : rot 136:sc= 1.82 USER MOD Set 6.1: A 10 SER OG : rot -46:sc= 0.987 USER MOD Set 6.2: A 51 SER OG : rot -50:sc= 0.94 USER MOD Single : A 3 GLN : amide:sc= 0.882 K(o=0.88,f=-3.4!) USER MOD Single : A 7 THR OG1 : rot 75:sc= 0.912 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 1.08 (180deg=0.926) USER MOD Single : A 16 TYR OH : rot 164:sc= 1.14 USER MOD Single : A 19 SER OG : rot -52:sc= 0.897 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 24 MET CE :methyl -179:sc= 0 (180deg=-0.0017) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 0.305 (180deg=-0.171) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 60:sc= 0.262 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -0.0023 (180deg=-0.0686) USER MOD Single : A 48 GLN : amide:sc= 0.955 K(o=0.96,f=-0.014) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 1.39 (180deg=1.13) USER MOD Single : A 63 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -17:sc= 0.975 USER MOD Single : A 87 SER OG : rot 94:sc= 1.36 USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 162 CYS SG : rot -90:sc= -1.11 USER MOD Single : B 164 GLN : amide:sc= 1.35 K(o=1.3,f=-3.4!) USER MOD Single : B 168 SER OG : rot 78:sc= 2.18 USER MOD Single : B 171 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0395) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 3.489 3.313 5.865 1.00 0.00 N ATOM 32 CA GLN A 3 4.913 3.401 5.576 1.00 0.00 C ATOM 33 C GLN A 3 5.675 2.617 6.640 1.00 0.00 C ATOM 34 O GLN A 3 5.439 2.811 7.831 1.00 0.00 O ATOM 35 CB GLN A 3 5.360 4.866 5.586 1.00 0.00 C ATOM 36 CG GLN A 3 4.639 5.707 4.526 1.00 0.00 C ATOM 37 CD GLN A 3 4.784 7.205 4.781 1.00 0.00 C ATOM 38 OE1 GLN A 3 3.800 7.937 4.730 1.00 0.00 O ATOM 39 NE2 GLN A 3 5.989 7.673 5.086 1.00 0.00 N ATOM 0 HA GLN A 3 5.117 2.984 4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.174 5.293 6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.435 4.916 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.039 5.468 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.581 5.443 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.788 7.040 5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.115 8.665 5.286 1.00 0.00 H new ATOM 48 N ASP A 4 6.596 1.746 6.216 1.00 0.00 N ATOM 49 CA ASP A 4 7.436 0.959 7.118 1.00 0.00 C ATOM 50 C ASP A 4 8.602 1.769 7.688 1.00 0.00 C ATOM 51 O ASP A 4 9.299 1.296 8.584 1.00 0.00 O ATOM 52 CB ASP A 4 7.925 -0.299 6.389 1.00 0.00 C ATOM 53 CG ASP A 4 8.697 -1.226 7.324 1.00 0.00 C ATOM 54 OD1 ASP A 4 8.044 -1.768 8.242 1.00 0.00 O ATOM 55 OD2 ASP A 4 9.918 -1.372 7.103 1.00 0.00 O ATOM 0 H ASP A 4 6.779 1.567 5.229 1.00 0.00 H new ATOM 0 HA ASP A 4 6.832 0.664 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.072 -0.832 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.563 -0.011 5.553 1.00 0.00 H new ATOM 60 N PHE A 5 8.794 3.002 7.219 1.00 0.00 N ATOM 61 CA PHE A 5 9.731 3.959 7.773 1.00 0.00 C ATOM 62 C PHE A 5 9.037 5.318 7.760 1.00 0.00 C ATOM 63 O PHE A 5 8.251 5.595 6.854 1.00 0.00 O ATOM 64 CB PHE A 5 11.013 3.975 6.934 1.00 0.00 C ATOM 65 CG PHE A 5 12.142 3.117 7.475 1.00 0.00 C ATOM 66 CD1 PHE A 5 12.152 1.727 7.248 1.00 0.00 C ATOM 67 CD2 PHE A 5 13.224 3.718 8.145 1.00 0.00 C ATOM 68 CE1 PHE A 5 13.250 0.953 7.662 1.00 0.00 C ATOM 69 CE2 PHE A 5 14.330 2.949 8.542 1.00 0.00 C ATOM 70 CZ PHE A 5 14.354 1.568 8.278 1.00 0.00 C ATOM 0 H PHE A 5 8.281 3.367 6.416 1.00 0.00 H new ATOM 0 HA PHE A 5 10.018 3.698 8.792 1.00 0.00 H new ATOM 0 HB2 PHE A 5 10.773 3.640 5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 5 11.364 5.004 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.315 1.255 6.755 1.00 0.00 H new ATOM 0 HD2 PHE A 5 13.204 4.777 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 5 13.245 -0.116 7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 5 15.161 3.417 9.049 1.00 0.00 H new ATOM 0 HZ PHE A 5 15.219 0.981 8.548 1.00 0.00 H new ATOM 80 N VAL A 6 9.312 6.142 8.767 1.00 0.00 N ATOM 81 CA VAL A 6 8.814 7.502 8.907 1.00 0.00 C ATOM 82 C VAL A 6 10.022 8.401 9.172 1.00 0.00 C ATOM 83 O VAL A 6 11.126 7.884 9.308 1.00 0.00 O ATOM 84 CB VAL A 6 7.768 7.562 10.027 1.00 0.00 C ATOM 85 CG1 VAL A 6 6.569 6.662 9.701 1.00 0.00 C ATOM 86 CG2 VAL A 6 8.355 7.154 11.383 1.00 0.00 C ATOM 0 H VAL A 6 9.915 5.865 9.541 1.00 0.00 H new ATOM 0 HA VAL A 6 8.310 7.846 8.004 1.00 0.00 H new ATOM 0 HB VAL A 6 7.438 8.599 10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.840 6.720 10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.107 6.994 8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.907 5.632 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.580 7.211 12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.732 6.133 11.324 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.171 7.828 11.644 1.00 0.00 H new ATOM 96 N THR A 7 9.834 9.721 9.263 1.00 0.00 N ATOM 97 CA THR A 7 10.941 10.668 9.278 1.00 0.00 C ATOM 98 C THR A 7 10.782 11.769 10.327 1.00 0.00 C ATOM 99 O THR A 7 9.741 12.427 10.378 1.00 0.00 O ATOM 100 CB THR A 7 11.070 11.295 7.875 1.00 0.00 C ATOM 101 OG1 THR A 7 10.550 10.442 6.873 1.00 0.00 O ATOM 102 CG2 THR A 7 12.525 11.612 7.534 1.00 0.00 C ATOM 0 H THR A 7 8.914 10.156 9.328 1.00 0.00 H new ATOM 0 HA THR A 7 11.842 10.117 9.548 1.00 0.00 H new ATOM 0 HB THR A 7 10.492 12.219 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.571 10.459 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.578 12.052 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.925 12.316 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.112 10.694 7.556 1.00 0.00 H new ATOM 110 N LEU A 8 11.822 11.987 11.138 1.00 0.00 N ATOM 111 CA LEU A 8 11.917 13.149 12.022 1.00 0.00 C ATOM 112 C LEU A 8 13.001 14.052 11.437 1.00 0.00 C ATOM 113 O LEU A 8 14.080 13.565 11.095 1.00 0.00 O ATOM 114 CB LEU A 8 12.255 12.751 13.464 1.00 0.00 C ATOM 115 CG LEU A 8 10.997 12.431 14.289 1.00 0.00 C ATOM 116 CD1 LEU A 8 11.293 11.428 15.408 1.00 0.00 C ATOM 117 CD2 LEU A 8 10.469 13.716 14.940 1.00 0.00 C ATOM 0 H LEU A 8 12.624 11.359 11.199 1.00 0.00 H new ATOM 0 HA LEU A 8 10.957 13.662 12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.912 11.881 13.454 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.805 13.561 13.943 1.00 0.00 H new ATOM 0 HG LEU A 8 10.263 12.001 13.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.380 11.228 15.968 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.664 10.499 14.975 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.046 11.842 16.078 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.578 13.488 15.524 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.235 14.134 15.594 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.219 14.440 14.165 1.00 0.00 H new ATOM 129 N VAL A 9 12.715 15.346 11.285 1.00 0.00 N ATOM 130 CA VAL A 9 13.602 16.293 10.620 1.00 0.00 C ATOM 131 C VAL A 9 14.068 17.352 11.615 1.00 0.00 C ATOM 132 O VAL A 9 13.269 17.830 12.422 1.00 0.00 O ATOM 133 CB VAL A 9 12.917 16.900 9.384 1.00 0.00 C ATOM 134 CG1 VAL A 9 13.932 17.608 8.483 1.00 0.00 C ATOM 135 CG2 VAL A 9 12.142 15.847 8.581 1.00 0.00 C ATOM 0 H VAL A 9 11.851 15.767 11.625 1.00 0.00 H new ATOM 0 HA VAL A 9 14.489 15.772 10.259 1.00 0.00 H new ATOM 0 HB VAL A 9 12.200 17.635 9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 9 13.420 18.027 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.417 18.409 9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.683 16.892 8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.674 16.320 7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.828 15.070 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.373 15.402 9.212 1.00 0.00 H new ATOM 145 N SER A 10 15.364 17.680 11.564 1.00 0.00 N ATOM 146 CA SER A 10 16.062 18.546 12.506 1.00 0.00 C ATOM 147 C SER A 10 16.666 19.763 11.805 1.00 0.00 C ATOM 148 O SER A 10 16.939 19.709 10.605 1.00 0.00 O ATOM 149 CB SER A 10 17.113 17.717 13.252 1.00 0.00 C ATOM 150 OG SER A 10 17.986 17.055 12.357 1.00 0.00 O ATOM 0 H SER A 10 15.978 17.330 10.829 1.00 0.00 H new ATOM 0 HA SER A 10 15.354 18.945 13.233 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.690 18.367 13.910 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.615 16.983 13.886 1.00 0.00 H new ATOM 0 HG SER A 10 17.464 16.628 11.646 1.00 0.00 H new ATOM 156 N LYS A 11 16.853 20.845 12.579 1.00 0.00 N ATOM 157 CA LYS A 11 17.242 22.194 12.169 1.00 0.00 C ATOM 158 C LYS A 11 17.094 22.462 10.663 1.00 0.00 C ATOM 159 O LYS A 11 15.973 22.449 10.156 1.00 0.00 O ATOM 160 CB LYS A 11 18.584 22.600 12.810 1.00 0.00 C ATOM 161 CG LYS A 11 19.706 21.565 12.651 1.00 0.00 C ATOM 162 CD LYS A 11 20.992 21.970 13.387 1.00 0.00 C ATOM 163 CE LYS A 11 21.692 23.177 12.750 1.00 0.00 C ATOM 164 NZ LYS A 11 22.964 23.468 13.435 1.00 0.00 N ATOM 0 H LYS A 11 16.724 20.788 13.589 1.00 0.00 H new ATOM 0 HA LYS A 11 16.511 22.891 12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.911 23.542 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 11 18.424 22.783 13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.363 20.602 13.029 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.925 21.432 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.753 22.202 14.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.679 21.124 13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.880 22.979 11.695 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.040 24.049 12.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.420 24.288 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.779 23.679 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 23.592 22.642 13.366 1.00 0.00 H new ATOM 178 N ASP A 12 18.180 22.725 9.931 1.00 0.00 N ATOM 179 CA ASP A 12 18.095 23.053 8.512 1.00 0.00 C ATOM 180 C ASP A 12 17.891 21.793 7.658 1.00 0.00 C ATOM 181 O ASP A 12 18.764 21.413 6.883 1.00 0.00 O ATOM 182 CB ASP A 12 19.326 23.866 8.082 1.00 0.00 C ATOM 183 CG ASP A 12 19.251 24.290 6.617 1.00 0.00 C ATOM 184 OD1 ASP A 12 18.142 24.685 6.193 1.00 0.00 O ATOM 185 OD2 ASP A 12 20.306 24.225 5.953 1.00 0.00 O ATOM 0 H ASP A 12 19.130 22.716 10.303 1.00 0.00 H new ATOM 0 HA ASP A 12 17.217 23.677 8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.413 24.752 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.226 23.272 8.241 1.00 0.00 H new ATOM 190 N ASP A 13 16.728 21.155 7.803 1.00 0.00 N ATOM 191 CA ASP A 13 16.259 20.047 6.975 1.00 0.00 C ATOM 192 C ASP A 13 17.208 18.837 6.985 1.00 0.00 C ATOM 193 O ASP A 13 17.530 18.284 5.935 1.00 0.00 O ATOM 194 CB ASP A 13 15.944 20.542 5.550 1.00 0.00 C ATOM 195 CG ASP A 13 15.250 19.491 4.681 1.00 0.00 C ATOM 196 OD1 ASP A 13 14.494 18.670 5.250 1.00 0.00 O ATOM 197 OD2 ASP A 13 15.463 19.543 3.451 1.00 0.00 O ATOM 0 H ASP A 13 16.061 21.408 8.532 1.00 0.00 H new ATOM 0 HA ASP A 13 15.334 19.678 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.311 21.427 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.872 20.848 5.066 1.00 0.00 H new ATOM 202 N LYS A 14 17.622 18.387 8.175 1.00 0.00 N ATOM 203 CA LYS A 14 18.344 17.131 8.340 1.00 0.00 C ATOM 204 C LYS A 14 17.338 16.069 8.765 1.00 0.00 C ATOM 205 O LYS A 14 16.937 16.010 9.931 1.00 0.00 O ATOM 206 CB LYS A 14 19.479 17.242 9.359 1.00 0.00 C ATOM 207 CG LYS A 14 20.591 18.196 8.916 1.00 0.00 C ATOM 208 CD LYS A 14 20.301 19.609 9.427 1.00 0.00 C ATOM 209 CE LYS A 14 21.414 20.583 9.028 1.00 0.00 C ATOM 210 NZ LYS A 14 21.465 20.780 7.567 1.00 0.00 N ATOM 0 H LYS A 14 17.463 18.888 9.049 1.00 0.00 H new ATOM 0 HA LYS A 14 18.814 16.862 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.073 17.584 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.904 16.253 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.551 17.852 9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.665 18.202 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.349 19.956 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.201 19.592 10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.252 21.542 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 14 22.374 20.203 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 22.109 21.566 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.809 19.911 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.513 21.003 7.213 1.00 0.00 H new ATOM 224 N GLU A 15 16.915 15.272 7.785 1.00 0.00 N ATOM 225 CA GLU A 15 15.878 14.261 7.891 1.00 0.00 C ATOM 226 C GLU A 15 16.466 12.908 8.303 1.00 0.00 C ATOM 227 O GLU A 15 17.209 12.298 7.538 1.00 0.00 O ATOM 228 CB GLU A 15 15.076 14.194 6.579 1.00 0.00 C ATOM 229 CG GLU A 15 15.896 14.270 5.280 1.00 0.00 C ATOM 230 CD GLU A 15 14.999 14.106 4.056 1.00 0.00 C ATOM 231 OE1 GLU A 15 13.978 14.829 4.003 1.00 0.00 O ATOM 232 OE2 GLU A 15 15.343 13.262 3.201 1.00 0.00 O ATOM 0 H GLU A 15 17.312 15.321 6.847 1.00 0.00 H new ATOM 0 HA GLU A 15 15.182 14.539 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.507 13.264 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.353 15.010 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.415 15.227 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.660 13.493 5.282 1.00 0.00 H new ATOM 239 N TYR A 16 16.115 12.439 9.503 1.00 0.00 N ATOM 240 CA TYR A 16 16.436 11.106 9.995 1.00 0.00 C ATOM 241 C TYR A 16 15.209 10.214 9.815 1.00 0.00 C ATOM 242 O TYR A 16 14.145 10.515 10.364 1.00 0.00 O ATOM 243 CB TYR A 16 16.825 11.172 11.476 1.00 0.00 C ATOM 244 CG TYR A 16 18.187 11.783 11.742 1.00 0.00 C ATOM 245 CD1 TYR A 16 18.365 13.177 11.683 1.00 0.00 C ATOM 246 CD2 TYR A 16 19.282 10.953 12.046 1.00 0.00 C ATOM 247 CE1 TYR A 16 19.619 13.739 11.972 1.00 0.00 C ATOM 248 CE2 TYR A 16 20.540 11.516 12.318 1.00 0.00 C ATOM 249 CZ TYR A 16 20.705 12.911 12.309 1.00 0.00 C ATOM 250 OH TYR A 16 21.907 13.460 12.651 1.00 0.00 O ATOM 0 H TYR A 16 15.585 12.995 10.174 1.00 0.00 H new ATOM 0 HA TYR A 16 17.278 10.697 9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 16 16.071 11.749 12.011 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.806 10.163 11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 16 17.536 13.816 11.415 1.00 0.00 H new ATOM 0 HD2 TYR A 16 19.155 9.881 12.070 1.00 0.00 H new ATOM 0 HE1 TYR A 16 19.750 14.810 11.935 1.00 0.00 H new ATOM 0 HE2 TYR A 16 21.382 10.875 12.534 1.00 0.00 H new ATOM 0 HH TYR A 16 22.461 12.784 13.095 1.00 0.00 H new ATOM 260 N GLU A 17 15.355 9.123 9.055 1.00 0.00 N ATOM 261 CA GLU A 17 14.295 8.146 8.866 1.00 0.00 C ATOM 262 C GLU A 17 14.379 7.055 9.941 1.00 0.00 C ATOM 263 O GLU A 17 15.434 6.452 10.125 1.00 0.00 O ATOM 264 CB GLU A 17 14.284 7.605 7.429 1.00 0.00 C ATOM 265 CG GLU A 17 15.541 6.830 7.011 1.00 0.00 C ATOM 266 CD GLU A 17 15.409 6.322 5.579 1.00 0.00 C ATOM 267 OE1 GLU A 17 14.530 5.460 5.363 1.00 0.00 O ATOM 268 OE2 GLU A 17 16.180 6.813 4.726 1.00 0.00 O ATOM 0 H GLU A 17 16.216 8.899 8.556 1.00 0.00 H new ATOM 0 HA GLU A 17 13.329 8.633 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.419 6.953 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.149 8.442 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.416 7.474 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.698 5.990 7.687 1.00 0.00 H new ATOM 275 N ILE A 18 13.277 6.818 10.657 1.00 0.00 N ATOM 276 CA ILE A 18 13.151 5.801 11.694 1.00 0.00 C ATOM 277 C ILE A 18 12.165 4.732 11.229 1.00 0.00 C ATOM 278 O ILE A 18 11.155 5.047 10.600 1.00 0.00 O ATOM 279 CB ILE A 18 12.659 6.398 13.030 1.00 0.00 C ATOM 280 CG1 ILE A 18 13.120 7.838 13.294 1.00 0.00 C ATOM 281 CG2 ILE A 18 13.158 5.517 14.185 1.00 0.00 C ATOM 282 CD1 ILE A 18 12.158 8.882 12.727 1.00 0.00 C ATOM 0 H ILE A 18 12.418 7.351 10.522 1.00 0.00 H new ATOM 0 HA ILE A 18 14.138 5.369 11.863 1.00 0.00 H new ATOM 0 HB ILE A 18 11.571 6.423 12.962 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.222 7.991 14.368 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.107 7.985 12.856 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.815 5.931 15.133 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.766 4.507 14.068 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.248 5.487 14.175 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.536 9.881 12.944 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.075 8.752 11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.176 8.758 13.184 1.00 0.00 H new ATOM 294 N SER A 19 12.435 3.470 11.563 1.00 0.00 N ATOM 295 CA SER A 19 11.553 2.357 11.276 1.00 0.00 C ATOM 296 C SER A 19 10.189 2.524 11.958 1.00 0.00 C ATOM 297 O SER A 19 10.111 2.859 13.142 1.00 0.00 O ATOM 298 CB SER A 19 12.241 1.076 11.747 1.00 0.00 C ATOM 299 OG SER A 19 13.611 1.131 11.399 1.00 0.00 O ATOM 0 H SER A 19 13.289 3.196 12.049 1.00 0.00 H new ATOM 0 HA SER A 19 11.362 2.313 10.204 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.131 0.965 12.826 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.771 0.206 11.288 1.00 0.00 H new ATOM 0 HG SER A 19 13.698 1.344 10.446 1.00 0.00 H new ATOM 305 N ARG A 20 9.118 2.227 11.219 1.00 0.00 N ATOM 306 CA ARG A 20 7.742 2.205 11.700 1.00 0.00 C ATOM 307 C ARG A 20 7.647 1.441 13.019 1.00 0.00 C ATOM 308 O ARG A 20 6.984 1.874 13.957 1.00 0.00 O ATOM 309 CB ARG A 20 6.866 1.532 10.639 1.00 0.00 C ATOM 310 CG ARG A 20 5.375 1.575 10.971 1.00 0.00 C ATOM 311 CD ARG A 20 4.583 0.581 10.117 1.00 0.00 C ATOM 312 NE ARG A 20 3.138 0.750 10.303 1.00 0.00 N ATOM 313 CZ ARG A 20 2.412 1.750 9.784 1.00 0.00 C ATOM 314 NH1 ARG A 20 2.992 2.711 9.060 1.00 0.00 N ATOM 315 NH2 ARG A 20 1.091 1.787 9.984 1.00 0.00 N ATOM 0 H ARG A 20 9.192 1.986 10.231 1.00 0.00 H new ATOM 0 HA ARG A 20 7.400 3.225 11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.032 2.020 9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.176 0.493 10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.229 1.347 12.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.993 2.583 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.835 0.720 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.869 -0.437 10.381 1.00 0.00 H new ATOM 0 HE ARG A 20 2.650 0.056 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.999 2.689 8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.428 3.467 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.637 1.055 10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.537 2.547 9.590 1.00 0.00 H new ATOM 329 N SER A 21 8.322 0.295 13.071 1.00 0.00 N ATOM 330 CA SER A 21 8.421 -0.574 14.224 1.00 0.00 C ATOM 331 C SER A 21 8.799 0.201 15.493 1.00 0.00 C ATOM 332 O SER A 21 8.203 -0.020 16.544 1.00 0.00 O ATOM 333 CB SER A 21 9.439 -1.655 13.866 1.00 0.00 C ATOM 334 OG SER A 21 10.585 -1.052 13.289 1.00 0.00 O ATOM 0 H SER A 21 8.837 -0.063 12.267 1.00 0.00 H new ATOM 0 HA SER A 21 7.458 -1.028 14.457 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.720 -2.215 14.758 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.999 -2.367 13.168 1.00 0.00 H new ATOM 0 HG SER A 21 11.239 -1.745 13.061 1.00 0.00 H new ATOM 340 N ALA A 22 9.765 1.120 15.400 1.00 0.00 N ATOM 341 CA ALA A 22 10.119 2.013 16.497 1.00 0.00 C ATOM 342 C ALA A 22 9.053 3.097 16.641 1.00 0.00 C ATOM 343 O ALA A 22 8.600 3.384 17.748 1.00 0.00 O ATOM 344 CB ALA A 22 11.504 2.613 16.248 1.00 0.00 C ATOM 0 H ALA A 22 10.322 1.262 14.558 1.00 0.00 H new ATOM 0 HA ALA A 22 10.159 1.455 17.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.765 3.280 17.070 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.241 1.812 16.182 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.495 3.175 15.314 1.00 0.00 H new ATOM 350 N ALA A 23 8.636 3.687 15.516 1.00 0.00 N ATOM 351 CA ALA A 23 7.635 4.747 15.486 1.00 0.00 C ATOM 352 C ALA A 23 6.382 4.387 16.285 1.00 0.00 C ATOM 353 O ALA A 23 5.767 5.273 16.874 1.00 0.00 O ATOM 354 CB ALA A 23 7.267 5.104 14.048 1.00 0.00 C ATOM 0 H ALA A 23 8.991 3.436 14.593 1.00 0.00 H new ATOM 0 HA ALA A 23 8.083 5.619 15.963 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.519 5.897 14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.157 5.446 13.519 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.862 4.225 13.547 1.00 0.00 H new ATOM 360 N MET A 24 6.018 3.098 16.325 1.00 0.00 N ATOM 361 CA MET A 24 4.943 2.588 17.170 1.00 0.00 C ATOM 362 C MET A 24 4.960 3.222 18.564 1.00 0.00 C ATOM 363 O MET A 24 3.914 3.658 19.042 1.00 0.00 O ATOM 364 CB MET A 24 5.015 1.060 17.317 1.00 0.00 C ATOM 365 CG MET A 24 4.939 0.277 16.001 1.00 0.00 C ATOM 366 SD MET A 24 3.656 0.741 14.812 1.00 0.00 S ATOM 367 CE MET A 24 2.178 0.494 15.817 1.00 0.00 C ATOM 0 H MET A 24 6.470 2.377 15.763 1.00 0.00 H new ATOM 0 HA MET A 24 4.013 2.858 16.670 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.946 0.802 17.822 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.201 0.734 17.964 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.904 0.366 15.503 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.803 -0.776 16.246 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.292 0.721 15.223 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.135 -0.542 16.152 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.213 1.154 16.683 1.00 0.00 H new ATOM 377 N ILE A 25 6.129 3.293 19.216 1.00 0.00 N ATOM 378 CA ILE A 25 6.224 3.816 20.578 1.00 0.00 C ATOM 379 C ILE A 25 6.424 5.341 20.607 1.00 0.00 C ATOM 380 O ILE A 25 6.865 5.884 21.616 1.00 0.00 O ATOM 381 CB ILE A 25 7.236 3.010 21.421 1.00 0.00 C ATOM 382 CG1 ILE A 25 8.635 2.959 20.790 1.00 0.00 C ATOM 383 CG2 ILE A 25 6.709 1.583 21.637 1.00 0.00 C ATOM 384 CD1 ILE A 25 9.720 2.621 21.816 1.00 0.00 C ATOM 0 H ILE A 25 7.019 2.994 18.819 1.00 0.00 H new ATOM 0 HA ILE A 25 5.262 3.667 21.068 1.00 0.00 H new ATOM 0 HB ILE A 25 7.338 3.525 22.376 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.646 2.215 19.994 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.860 3.921 20.330 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.425 1.017 22.232 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.754 1.623 22.160 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.573 1.095 20.672 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.692 2.596 21.323 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.729 3.379 22.599 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.512 1.646 22.258 1.00 0.00 H new ATOM 396 N SER A 26 6.074 6.040 19.520 1.00 0.00 N ATOM 397 CA SER A 26 5.986 7.494 19.446 1.00 0.00 C ATOM 398 C SER A 26 4.623 7.838 18.829 1.00 0.00 C ATOM 399 O SER A 26 4.550 8.094 17.626 1.00 0.00 O ATOM 400 CB SER A 26 7.150 8.058 18.620 1.00 0.00 C ATOM 401 OG SER A 26 7.237 9.468 18.760 1.00 0.00 O ATOM 0 H SER A 26 5.837 5.586 18.638 1.00 0.00 H new ATOM 0 HA SER A 26 6.063 7.945 20.435 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.085 7.599 18.941 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.013 7.801 17.570 1.00 0.00 H new ATOM 0 HG SER A 26 6.344 9.862 18.667 1.00 0.00 H new ATOM 407 N PRO A 27 3.545 7.852 19.637 1.00 0.00 N ATOM 408 CA PRO A 27 2.177 8.117 19.203 1.00 0.00 C ATOM 409 C PRO A 27 2.050 9.259 18.195 1.00 0.00 C ATOM 410 O PRO A 27 1.274 9.164 17.251 1.00 0.00 O ATOM 411 CB PRO A 27 1.399 8.411 20.488 1.00 0.00 C ATOM 412 CG PRO A 27 2.103 7.517 21.506 1.00 0.00 C ATOM 413 CD PRO A 27 3.566 7.587 21.069 1.00 0.00 C ATOM 0 HA PRO A 27 1.784 7.257 18.661 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.454 9.464 20.765 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.342 8.162 20.390 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.968 7.881 22.525 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.722 6.496 21.479 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.096 8.375 21.604 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.083 6.652 21.285 1.00 0.00 H new ATOM 421 N THR A 28 2.830 10.324 18.389 1.00 0.00 N ATOM 422 CA THR A 28 3.019 11.429 17.467 1.00 0.00 C ATOM 423 C THR A 28 3.092 10.972 16.010 1.00 0.00 C ATOM 424 O THR A 28 2.304 11.415 15.174 1.00 0.00 O ATOM 425 CB THR A 28 4.306 12.159 17.900 1.00 0.00 C ATOM 426 OG1 THR A 28 5.141 11.290 18.666 1.00 0.00 O ATOM 427 CG2 THR A 28 3.903 13.352 18.762 1.00 0.00 C ATOM 0 H THR A 28 3.374 10.438 19.244 1.00 0.00 H new ATOM 0 HA THR A 28 2.160 12.099 17.509 1.00 0.00 H new ATOM 0 HB THR A 28 4.859 12.482 17.018 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.728 11.824 19.242 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.797 13.887 19.083 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.267 14.021 18.182 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.357 13.000 19.637 1.00 0.00 H new ATOM 435 N LEU A 29 4.036 10.083 15.699 1.00 0.00 N ATOM 436 CA LEU A 29 4.243 9.634 14.331 1.00 0.00 C ATOM 437 C LEU A 29 2.970 8.978 13.809 1.00 0.00 C ATOM 438 O LEU A 29 2.479 9.333 12.738 1.00 0.00 O ATOM 439 CB LEU A 29 5.432 8.661 14.248 1.00 0.00 C ATOM 440 CG LEU A 29 6.803 9.334 14.057 1.00 0.00 C ATOM 441 CD1 LEU A 29 6.886 10.009 12.686 1.00 0.00 C ATOM 442 CD2 LEU A 29 7.133 10.332 15.170 1.00 0.00 C ATOM 0 H LEU A 29 4.668 9.662 16.380 1.00 0.00 H new ATOM 0 HA LEU A 29 4.477 10.497 13.708 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.460 8.064 15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.263 7.972 13.421 1.00 0.00 H new ATOM 0 HG LEU A 29 7.552 8.544 14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.863 10.479 12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.748 9.262 11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.107 10.767 12.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.111 10.775 14.983 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.377 11.117 15.191 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.146 9.815 16.130 1.00 0.00 H new ATOM 454 N LYS A 30 2.444 8.022 14.578 1.00 0.00 N ATOM 455 CA LYS A 30 1.279 7.250 14.185 1.00 0.00 C ATOM 456 C LYS A 30 0.081 8.174 13.943 1.00 0.00 C ATOM 457 O LYS A 30 -0.642 8.018 12.964 1.00 0.00 O ATOM 458 CB LYS A 30 0.979 6.201 15.266 1.00 0.00 C ATOM 459 CG LYS A 30 0.058 5.075 14.771 1.00 0.00 C ATOM 460 CD LYS A 30 0.605 4.293 13.564 1.00 0.00 C ATOM 461 CE LYS A 30 2.063 3.857 13.765 1.00 0.00 C ATOM 462 NZ LYS A 30 2.530 3.004 12.660 1.00 0.00 N ATOM 0 H LYS A 30 2.820 7.766 15.491 1.00 0.00 H new ATOM 0 HA LYS A 30 1.480 6.731 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.917 5.769 15.615 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.516 6.692 16.122 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.118 4.378 15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.908 5.503 14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.015 3.413 13.393 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.533 4.912 12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.700 4.738 13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.155 3.316 14.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.172 2.275 13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.714 2.548 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.035 3.586 11.962 1.00 0.00 H new ATOM 476 N ALA A 31 -0.119 9.142 14.840 1.00 0.00 N ATOM 477 CA ALA A 31 -1.179 10.129 14.740 1.00 0.00 C ATOM 478 C ALA A 31 -1.030 10.942 13.457 1.00 0.00 C ATOM 479 O ALA A 31 -1.996 11.115 12.719 1.00 0.00 O ATOM 480 CB ALA A 31 -1.162 11.035 15.975 1.00 0.00 C ATOM 0 H ALA A 31 0.465 9.258 15.668 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.142 9.619 14.700 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.959 11.774 15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.314 10.432 16.870 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.200 11.544 16.039 1.00 0.00 H new ATOM 486 N MET A 32 0.171 11.452 13.174 1.00 0.00 N ATOM 487 CA MET A 32 0.389 12.241 11.970 1.00 0.00 C ATOM 488 C MET A 32 0.130 11.415 10.704 1.00 0.00 C ATOM 489 O MET A 32 -0.630 11.846 9.835 1.00 0.00 O ATOM 490 CB MET A 32 1.786 12.869 11.987 1.00 0.00 C ATOM 491 CG MET A 32 1.746 14.274 12.611 1.00 0.00 C ATOM 492 SD MET A 32 1.374 14.342 14.384 1.00 0.00 S ATOM 493 CE MET A 32 1.391 16.128 14.648 1.00 0.00 C ATOM 0 H MET A 32 0.998 11.332 13.759 1.00 0.00 H new ATOM 0 HA MET A 32 -0.333 13.057 11.955 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.468 12.234 12.553 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.175 12.929 10.971 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.711 14.753 12.443 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.000 14.865 12.080 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.178 16.343 15.695 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.372 16.525 14.388 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.633 16.596 14.020 1.00 0.00 H new ATOM 503 N ILE A 33 0.720 10.221 10.595 1.00 0.00 N ATOM 504 CA ILE A 33 0.561 9.351 9.424 1.00 0.00 C ATOM 505 C ILE A 33 -0.780 8.594 9.464 1.00 0.00 C ATOM 506 O ILE A 33 -0.848 7.377 9.296 1.00 0.00 O ATOM 507 CB ILE A 33 1.793 8.440 9.314 1.00 0.00 C ATOM 508 CG1 ILE A 33 1.899 7.795 7.925 1.00 0.00 C ATOM 509 CG2 ILE A 33 1.824 7.380 10.426 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.120 6.886 7.864 1.00 0.00 C ATOM 0 H ILE A 33 1.323 9.829 11.318 1.00 0.00 H new ATOM 0 HA ILE A 33 0.513 9.947 8.512 1.00 0.00 H new ATOM 0 HB ILE A 33 2.669 9.075 9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.997 7.221 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.973 8.568 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.711 6.757 10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.850 7.873 11.398 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.932 6.757 10.359 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.187 6.433 6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.019 7.471 8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.028 6.103 8.617 1.00 0.00 H new ATOM 522 N GLU A 34 -1.858 9.342 9.683 1.00 0.00 N ATOM 523 CA GLU A 34 -3.208 8.859 9.941 1.00 0.00 C ATOM 524 C GLU A 34 -4.136 10.072 9.967 1.00 0.00 C ATOM 525 O GLU A 34 -5.237 10.023 9.422 1.00 0.00 O ATOM 526 CB GLU A 34 -3.254 8.099 11.277 1.00 0.00 C ATOM 527 CG GLU A 34 -4.625 7.472 11.556 1.00 0.00 C ATOM 528 CD GLU A 34 -4.631 6.746 12.899 1.00 0.00 C ATOM 529 OE1 GLU A 34 -4.077 5.626 12.941 1.00 0.00 O ATOM 530 OE2 GLU A 34 -5.183 7.326 13.858 1.00 0.00 O ATOM 0 H GLU A 34 -1.808 10.361 9.685 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.526 8.165 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.496 7.316 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.000 8.782 12.088 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.391 8.248 11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.878 6.773 10.759 1.00 0.00 H new ATOM 537 N GLY A 35 -3.674 11.161 10.589 1.00 0.00 N ATOM 538 CA GLY A 35 -4.384 12.427 10.624 1.00 0.00 C ATOM 539 C GLY A 35 -4.125 13.184 9.321 1.00 0.00 C ATOM 540 O GLY A 35 -4.604 12.761 8.271 1.00 0.00 O ATOM 0 H GLY A 35 -2.784 11.180 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.453 12.255 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.052 13.021 11.476 1.00 0.00 H new ATOM 544 N PRO A 36 -3.361 14.288 9.329 1.00 0.00 N ATOM 545 CA PRO A 36 -3.123 15.081 8.133 1.00 0.00 C ATOM 546 C PRO A 36 -2.074 14.429 7.216 1.00 0.00 C ATOM 547 O PRO A 36 -1.129 15.085 6.779 1.00 0.00 O ATOM 548 CB PRO A 36 -2.708 16.461 8.660 1.00 0.00 C ATOM 549 CG PRO A 36 -1.996 16.131 9.971 1.00 0.00 C ATOM 550 CD PRO A 36 -2.779 14.926 10.498 1.00 0.00 C ATOM 0 HA PRO A 36 -4.004 15.159 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.049 16.978 7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.571 17.107 8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.945 15.890 9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.027 16.968 10.668 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.124 14.238 11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.553 15.239 11.198 1.00 0.00 H new ATOM 558 N PHE A 37 -2.276 13.161 6.832 1.00 0.00 N ATOM 559 CA PHE A 37 -1.418 12.457 5.880 1.00 0.00 C ATOM 560 C PHE A 37 -1.431 13.106 4.507 1.00 0.00 C ATOM 561 O PHE A 37 -0.573 12.797 3.694 1.00 0.00 O ATOM 562 CB PHE A 37 -1.762 10.965 5.815 1.00 0.00 C ATOM 563 CG PHE A 37 -3.132 10.662 5.237 1.00 0.00 C ATOM 564 CD1 PHE A 37 -3.313 10.594 3.841 1.00 0.00 C ATOM 565 CD2 PHE A 37 -4.234 10.477 6.091 1.00 0.00 C ATOM 566 CE1 PHE A 37 -4.594 10.370 3.306 1.00 0.00 C ATOM 567 CE2 PHE A 37 -5.514 10.260 5.556 1.00 0.00 C ATOM 568 CZ PHE A 37 -5.696 10.208 4.164 1.00 0.00 C ATOM 0 H PHE A 37 -3.049 12.593 7.179 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.395 12.538 6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.007 10.456 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.705 10.547 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.467 10.714 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.095 10.502 7.162 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.731 10.322 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.360 10.133 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.681 10.044 3.753 1.00 0.00 H new ATOM 578 N ARG A 38 -2.357 14.030 4.246 1.00 0.00 N ATOM 579 CA ARG A 38 -2.288 14.868 3.060 1.00 0.00 C ATOM 580 C ARG A 38 -0.936 15.603 3.014 1.00 0.00 C ATOM 581 O ARG A 38 -0.489 15.991 1.938 1.00 0.00 O ATOM 582 CB ARG A 38 -3.470 15.848 3.042 1.00 0.00 C ATOM 583 CG ARG A 38 -3.452 16.844 4.214 1.00 0.00 C ATOM 584 CD ARG A 38 -4.733 17.686 4.250 1.00 0.00 C ATOM 585 NE ARG A 38 -4.867 18.520 3.047 1.00 0.00 N ATOM 586 CZ ARG A 38 -5.910 19.321 2.791 1.00 0.00 C ATOM 587 NH1 ARG A 38 -6.920 19.418 3.663 1.00 0.00 N ATOM 588 NH2 ARG A 38 -5.937 20.028 1.656 1.00 0.00 N ATOM 0 H ARG A 38 -3.163 14.213 4.844 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.358 14.246 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.460 16.402 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.402 15.283 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.344 16.302 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.586 17.500 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.598 17.029 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.726 18.322 5.135 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.114 18.487 2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.899 18.880 4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.711 20.030 3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.167 19.955 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.728 20.640 1.455 1.00 0.00 H new ATOM 602 N GLU A 39 -0.298 15.792 4.180 1.00 0.00 N ATOM 603 CA GLU A 39 0.993 16.439 4.345 1.00 0.00 C ATOM 604 C GLU A 39 1.950 15.516 5.104 1.00 0.00 C ATOM 605 O GLU A 39 2.993 15.130 4.576 1.00 0.00 O ATOM 606 CB GLU A 39 0.774 17.783 5.063 1.00 0.00 C ATOM 607 CG GLU A 39 2.065 18.576 5.331 1.00 0.00 C ATOM 608 CD GLU A 39 2.808 18.113 6.585 1.00 0.00 C ATOM 609 OE1 GLU A 39 2.208 18.235 7.675 1.00 0.00 O ATOM 610 OE2 GLU A 39 3.955 17.643 6.432 1.00 0.00 O ATOM 0 H GLU A 39 -0.694 15.480 5.067 1.00 0.00 H new ATOM 0 HA GLU A 39 1.455 16.638 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.102 18.397 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.272 17.597 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.726 18.483 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.820 19.633 5.432 1.00 0.00 H new ATOM 617 N SER A 40 1.620 15.161 6.350 1.00 0.00 N ATOM 618 CA SER A 40 2.546 14.485 7.245 1.00 0.00 C ATOM 619 C SER A 40 2.615 12.985 6.962 1.00 0.00 C ATOM 620 O SER A 40 2.250 12.166 7.807 1.00 0.00 O ATOM 621 CB SER A 40 2.156 14.788 8.694 1.00 0.00 C ATOM 622 OG SER A 40 0.849 14.318 8.964 1.00 0.00 O ATOM 0 H SER A 40 0.703 15.337 6.760 1.00 0.00 H new ATOM 0 HA SER A 40 3.553 14.865 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.866 14.317 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.207 15.862 8.874 1.00 0.00 H new ATOM 0 HG SER A 40 0.813 13.350 8.817 1.00 0.00 H new ATOM 628 N LYS A 41 3.126 12.623 5.787 1.00 0.00 N ATOM 629 CA LYS A 41 3.339 11.241 5.380 1.00 0.00 C ATOM 630 C LYS A 41 4.581 10.697 6.081 1.00 0.00 C ATOM 631 O LYS A 41 5.600 10.417 5.452 1.00 0.00 O ATOM 632 CB LYS A 41 3.453 11.183 3.850 1.00 0.00 C ATOM 633 CG LYS A 41 2.146 11.682 3.234 1.00 0.00 C ATOM 634 CD LYS A 41 2.142 11.580 1.708 1.00 0.00 C ATOM 635 CE LYS A 41 0.794 12.118 1.220 1.00 0.00 C ATOM 636 NZ LYS A 41 0.689 12.080 -0.248 1.00 0.00 N ATOM 0 H LYS A 41 3.409 13.299 5.078 1.00 0.00 H new ATOM 0 HA LYS A 41 2.498 10.612 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.287 11.797 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.656 10.162 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.314 11.103 3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.983 12.719 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.963 12.157 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.281 10.546 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.012 11.529 1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.665 13.143 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.237 12.452 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.443 12.662 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.787 11.099 -0.578 1.00 0.00 H new ATOM 650 N GLY A 42 4.509 10.588 7.408 1.00 0.00 N ATOM 651 CA GLY A 42 5.651 10.211 8.220 1.00 0.00 C ATOM 652 C GLY A 42 6.794 11.207 8.016 1.00 0.00 C ATOM 653 O GLY A 42 7.915 10.809 7.705 1.00 0.00 O ATOM 0 H GLY A 42 3.657 10.759 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.366 10.184 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.981 9.207 7.953 1.00 0.00 H new ATOM 657 N ARG A 43 6.505 12.495 8.211 1.00 0.00 N ATOM 658 CA ARG A 43 7.490 13.568 8.201 1.00 0.00 C ATOM 659 C ARG A 43 7.128 14.537 9.326 1.00 0.00 C ATOM 660 O ARG A 43 6.087 15.185 9.250 1.00 0.00 O ATOM 661 CB ARG A 43 7.516 14.264 6.833 1.00 0.00 C ATOM 662 CG ARG A 43 8.654 15.297 6.778 1.00 0.00 C ATOM 663 CD ARG A 43 8.662 16.054 5.446 1.00 0.00 C ATOM 664 NE ARG A 43 9.677 17.117 5.452 1.00 0.00 N ATOM 665 CZ ARG A 43 10.981 16.978 5.166 1.00 0.00 C ATOM 666 NH1 ARG A 43 11.482 15.795 4.797 1.00 0.00 N ATOM 667 NH2 ARG A 43 11.772 18.050 5.279 1.00 0.00 N ATOM 0 H ARG A 43 5.555 12.824 8.384 1.00 0.00 H new ATOM 0 HA ARG A 43 8.493 13.175 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.650 13.524 6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.561 14.756 6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.544 16.005 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.611 14.794 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.862 15.360 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.678 16.486 5.263 1.00 0.00 H new ATOM 0 HE ARG A 43 9.359 18.054 5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.871 14.981 4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.475 15.706 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.380 18.944 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.767 17.974 5.068 1.00 0.00 H new ATOM 681 N ILE A 44 7.960 14.612 10.367 1.00 0.00 N ATOM 682 CA ILE A 44 7.762 15.486 11.514 1.00 0.00 C ATOM 683 C ILE A 44 8.923 16.479 11.544 1.00 0.00 C ATOM 684 O ILE A 44 10.058 16.109 11.845 1.00 0.00 O ATOM 685 CB ILE A 44 7.692 14.652 12.802 1.00 0.00 C ATOM 686 CG1 ILE A 44 6.678 13.500 12.727 1.00 0.00 C ATOM 687 CG2 ILE A 44 7.415 15.540 14.024 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.215 13.916 12.559 1.00 0.00 C ATOM 0 H ILE A 44 8.809 14.051 10.433 1.00 0.00 H new ATOM 0 HA ILE A 44 6.822 16.032 11.436 1.00 0.00 H new ATOM 0 HB ILE A 44 8.674 14.193 12.915 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.951 12.853 11.893 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.765 12.903 13.635 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.371 14.922 14.921 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.214 16.274 14.129 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.464 16.055 13.891 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.586 13.027 12.518 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.913 14.535 13.404 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.102 14.484 11.635 1.00 0.00 H new ATOM 700 N GLU A 45 8.652 17.740 11.205 1.00 0.00 N ATOM 701 CA GLU A 45 9.682 18.756 11.097 1.00 0.00 C ATOM 702 C GLU A 45 9.902 19.457 12.434 1.00 0.00 C ATOM 703 O GLU A 45 9.298 20.496 12.693 1.00 0.00 O ATOM 704 CB GLU A 45 9.337 19.744 9.975 1.00 0.00 C ATOM 705 CG GLU A 45 9.241 19.052 8.607 1.00 0.00 C ATOM 706 CD GLU A 45 9.234 20.068 7.467 1.00 0.00 C ATOM 707 OE1 GLU A 45 8.515 21.079 7.609 1.00 0.00 O ATOM 708 OE2 GLU A 45 9.957 19.819 6.477 1.00 0.00 O ATOM 0 H GLU A 45 7.712 18.078 10.999 1.00 0.00 H new ATOM 0 HA GLU A 45 10.625 18.275 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.389 20.233 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.096 20.525 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.082 18.370 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.333 18.450 8.565 1.00 0.00 H new ATOM 715 N LEU A 46 10.842 18.967 13.246 1.00 0.00 N ATOM 716 CA LEU A 46 11.271 19.666 14.452 1.00 0.00 C ATOM 717 C LEU A 46 12.395 20.612 14.025 1.00 0.00 C ATOM 718 O LEU A 46 13.526 20.532 14.510 1.00 0.00 O ATOM 719 CB LEU A 46 11.715 18.660 15.528 1.00 0.00 C ATOM 720 CG LEU A 46 10.639 17.604 15.851 1.00 0.00 C ATOM 721 CD1 LEU A 46 11.111 16.689 16.985 1.00 0.00 C ATOM 722 CD2 LEU A 46 9.300 18.234 16.258 1.00 0.00 C ATOM 0 H LEU A 46 11.322 18.081 13.085 1.00 0.00 H new ATOM 0 HA LEU A 46 10.461 20.238 14.904 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.621 18.156 15.193 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.970 19.201 16.439 1.00 0.00 H new ATOM 0 HG LEU A 46 10.485 17.032 14.936 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.340 15.949 17.201 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.027 16.181 16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.302 17.285 17.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.578 17.446 16.474 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.443 18.850 17.146 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.927 18.854 15.443 1.00 0.00 H new ATOM 734 N LYS A 47 12.041 21.508 13.094 1.00 0.00 N ATOM 735 CA LYS A 47 12.929 22.389 12.345 1.00 0.00 C ATOM 736 C LYS A 47 13.478 23.508 13.238 1.00 0.00 C ATOM 737 O LYS A 47 13.224 24.689 13.017 1.00 0.00 O ATOM 738 CB LYS A 47 12.151 22.924 11.128 1.00 0.00 C ATOM 739 CG LYS A 47 13.093 23.388 10.015 1.00 0.00 C ATOM 740 CD LYS A 47 12.323 24.082 8.886 1.00 0.00 C ATOM 741 CE LYS A 47 13.221 24.311 7.663 1.00 0.00 C ATOM 742 NZ LYS A 47 14.428 25.089 7.997 1.00 0.00 N ATOM 0 H LYS A 47 11.064 21.640 12.832 1.00 0.00 H new ATOM 0 HA LYS A 47 13.803 21.842 11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.492 22.144 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.516 23.754 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.835 24.072 10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.636 22.532 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.464 23.475 8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.935 25.037 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.515 23.348 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.655 24.834 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.926 25.350 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.154 25.951 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.056 24.515 8.595 1.00 0.00 H new ATOM 756 N GLN A 48 14.231 23.114 14.264 1.00 0.00 N ATOM 757 CA GLN A 48 14.693 23.961 15.351 1.00 0.00 C ATOM 758 C GLN A 48 15.637 23.152 16.238 1.00 0.00 C ATOM 759 O GLN A 48 16.674 23.665 16.656 1.00 0.00 O ATOM 760 CB GLN A 48 13.495 24.485 16.165 1.00 0.00 C ATOM 761 CG GLN A 48 13.882 25.271 17.428 1.00 0.00 C ATOM 762 CD GLN A 48 14.707 26.521 17.129 1.00 0.00 C ATOM 763 OE1 GLN A 48 14.169 27.619 17.038 1.00 0.00 O ATOM 764 NE2 GLN A 48 16.022 26.378 16.991 1.00 0.00 N ATOM 0 H GLN A 48 14.548 22.149 14.360 1.00 0.00 H new ATOM 0 HA GLN A 48 15.226 24.822 14.948 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.888 25.125 15.525 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.870 23.640 16.455 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.976 25.560 17.960 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.449 24.620 18.094 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.446 25.454 17.071 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.607 27.193 16.805 1.00 0.00 H new ATOM 773 N PHE A 49 15.267 21.907 16.553 1.00 0.00 N ATOM 774 CA PHE A 49 16.103 21.048 17.378 1.00 0.00 C ATOM 775 C PHE A 49 17.287 20.540 16.561 1.00 0.00 C ATOM 776 O PHE A 49 17.202 20.414 15.337 1.00 0.00 O ATOM 777 CB PHE A 49 15.284 19.886 17.953 1.00 0.00 C ATOM 778 CG PHE A 49 14.083 20.260 18.810 1.00 0.00 C ATOM 779 CD1 PHE A 49 14.006 21.492 19.495 1.00 0.00 C ATOM 780 CD2 PHE A 49 13.039 19.330 18.945 1.00 0.00 C ATOM 781 CE1 PHE A 49 12.856 21.816 20.235 1.00 0.00 C ATOM 782 CE2 PHE A 49 11.893 19.649 19.694 1.00 0.00 C ATOM 783 CZ PHE A 49 11.790 20.904 20.317 1.00 0.00 C ATOM 0 H PHE A 49 14.394 21.477 16.247 1.00 0.00 H new ATOM 0 HA PHE A 49 16.487 21.626 18.218 1.00 0.00 H new ATOM 0 HB2 PHE A 49 14.933 19.273 17.123 1.00 0.00 H new ATOM 0 HB3 PHE A 49 15.949 19.263 18.551 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.832 22.186 19.450 1.00 0.00 H new ATOM 0 HD2 PHE A 49 13.117 18.363 18.470 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.791 22.768 20.742 1.00 0.00 H new ATOM 0 HE2 PHE A 49 11.093 18.930 19.790 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.893 21.167 20.858 1.00 0.00 H new ATOM 793 N ASP A 50 18.398 20.264 17.245 1.00 0.00 N ATOM 794 CA ASP A 50 19.668 19.959 16.605 1.00 0.00 C ATOM 795 C ASP A 50 19.756 18.487 16.211 1.00 0.00 C ATOM 796 O ASP A 50 19.358 17.598 16.963 1.00 0.00 O ATOM 797 CB ASP A 50 20.839 20.351 17.512 1.00 0.00 C ATOM 798 CG ASP A 50 22.168 19.963 16.870 1.00 0.00 C ATOM 799 OD1 ASP A 50 22.666 20.779 16.065 1.00 0.00 O ATOM 800 OD2 ASP A 50 22.630 18.834 17.148 1.00 0.00 O ATOM 0 H ASP A 50 18.437 20.247 18.264 1.00 0.00 H new ATOM 0 HA ASP A 50 19.729 20.549 15.690 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.818 21.425 17.698 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.738 19.858 18.479 1.00 0.00 H new ATOM 805 N SER A 51 20.328 18.235 15.036 1.00 0.00 N ATOM 806 CA SER A 51 20.507 16.917 14.468 1.00 0.00 C ATOM 807 C SER A 51 21.129 15.911 15.428 1.00 0.00 C ATOM 808 O SER A 51 20.608 14.811 15.548 1.00 0.00 O ATOM 809 CB SER A 51 21.316 17.075 13.185 1.00 0.00 C ATOM 810 OG SER A 51 20.631 18.036 12.406 1.00 0.00 O ATOM 0 H SER A 51 20.691 18.977 14.437 1.00 0.00 H new ATOM 0 HA SER A 51 19.528 16.491 14.250 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.332 17.403 13.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.394 16.126 12.654 1.00 0.00 H new ATOM 0 HG SER A 51 19.682 17.798 12.354 1.00 0.00 H new ATOM 816 N HIS A 52 22.211 16.254 16.129 1.00 0.00 N ATOM 817 CA HIS A 52 22.844 15.291 17.022 1.00 0.00 C ATOM 818 C HIS A 52 21.929 14.950 18.205 1.00 0.00 C ATOM 819 O HIS A 52 21.958 13.833 18.719 1.00 0.00 O ATOM 820 CB HIS A 52 24.216 15.802 17.476 1.00 0.00 C ATOM 821 CG HIS A 52 25.040 14.755 18.188 1.00 0.00 C ATOM 822 ND1 HIS A 52 25.097 13.409 17.887 1.00 0.00 N ATOM 823 CD2 HIS A 52 25.872 14.973 19.253 1.00 0.00 C ATOM 824 CE1 HIS A 52 25.935 12.834 18.764 1.00 0.00 C ATOM 825 NE2 HIS A 52 26.431 13.745 19.617 1.00 0.00 N ATOM 0 H HIS A 52 22.657 17.171 16.096 1.00 0.00 H new ATOM 0 HA HIS A 52 23.007 14.363 16.475 1.00 0.00 H new ATOM 0 HB2 HIS A 52 24.768 16.159 16.607 1.00 0.00 H new ATOM 0 HB3 HIS A 52 24.076 16.656 18.138 1.00 0.00 H new ATOM 0 HD1 HIS A 52 24.594 12.937 17.135 1.00 0.00 H new ATOM 0 HD2 HIS A 52 26.062 15.924 19.727 1.00 0.00 H new ATOM 0 HE1 HIS A 52 26.177 11.782 18.781 1.00 0.00 H new ATOM 833 N ILE A 53 21.089 15.899 18.630 1.00 0.00 N ATOM 834 CA ILE A 53 20.102 15.651 19.671 1.00 0.00 C ATOM 835 C ILE A 53 19.047 14.700 19.102 1.00 0.00 C ATOM 836 O ILE A 53 18.820 13.613 19.632 1.00 0.00 O ATOM 837 CB ILE A 53 19.481 16.975 20.159 1.00 0.00 C ATOM 838 CG1 ILE A 53 20.530 18.015 20.598 1.00 0.00 C ATOM 839 CG2 ILE A 53 18.471 16.703 21.277 1.00 0.00 C ATOM 840 CD1 ILE A 53 21.192 17.709 21.939 1.00 0.00 C ATOM 0 H ILE A 53 21.078 16.850 18.262 1.00 0.00 H new ATOM 0 HA ILE A 53 20.570 15.191 20.541 1.00 0.00 H new ATOM 0 HB ILE A 53 18.964 17.416 19.307 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.302 18.082 19.831 1.00 0.00 H new ATOM 0 HG13 ILE A 53 20.053 18.993 20.656 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.039 17.645 21.614 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.679 16.054 20.902 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.975 16.216 22.112 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.916 18.489 22.174 1.00 0.00 H new ATOM 0 HD12 ILE A 53 20.432 17.672 22.720 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.701 16.747 21.882 1.00 0.00 H new ATOM 852 N LEU A 54 18.412 15.107 17.999 1.00 0.00 N ATOM 853 CA LEU A 54 17.350 14.332 17.374 1.00 0.00 C ATOM 854 C LEU A 54 17.834 12.905 17.097 1.00 0.00 C ATOM 855 O LEU A 54 17.145 11.940 17.418 1.00 0.00 O ATOM 856 CB LEU A 54 16.853 15.080 16.126 1.00 0.00 C ATOM 857 CG LEU A 54 15.599 14.495 15.448 1.00 0.00 C ATOM 858 CD1 LEU A 54 15.948 13.369 14.470 1.00 0.00 C ATOM 859 CD2 LEU A 54 14.531 14.069 16.463 1.00 0.00 C ATOM 0 H LEU A 54 18.623 15.982 17.519 1.00 0.00 H new ATOM 0 HA LEU A 54 16.494 14.228 18.041 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.644 16.113 16.404 1.00 0.00 H new ATOM 0 HB3 LEU A 54 17.661 15.104 15.394 1.00 0.00 H new ATOM 0 HG LEU A 54 15.160 15.300 14.859 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.034 12.986 14.015 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.607 13.754 13.692 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.451 12.564 15.006 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.668 13.664 15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.942 13.307 17.125 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.223 14.933 17.051 1.00 0.00 H new ATOM 871 N GLU A 55 19.047 12.773 16.561 1.00 0.00 N ATOM 872 CA GLU A 55 19.764 11.524 16.356 1.00 0.00 C ATOM 873 C GLU A 55 19.709 10.636 17.603 1.00 0.00 C ATOM 874 O GLU A 55 19.325 9.470 17.513 1.00 0.00 O ATOM 875 CB GLU A 55 21.198 11.874 15.958 1.00 0.00 C ATOM 876 CG GLU A 55 22.116 10.702 15.624 1.00 0.00 C ATOM 877 CD GLU A 55 23.437 11.272 15.120 1.00 0.00 C ATOM 878 OE1 GLU A 55 23.507 11.545 13.899 1.00 0.00 O ATOM 879 OE2 GLU A 55 24.321 11.500 15.974 1.00 0.00 O ATOM 0 H GLU A 55 19.581 13.581 16.242 1.00 0.00 H new ATOM 0 HA GLU A 55 19.296 10.943 15.561 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.160 12.535 15.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.650 12.440 16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.279 10.082 16.505 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.661 10.065 14.866 1.00 0.00 H new ATOM 886 N LYS A 56 20.076 11.175 18.770 1.00 0.00 N ATOM 887 CA LYS A 56 20.058 10.397 19.995 1.00 0.00 C ATOM 888 C LYS A 56 18.619 10.007 20.341 1.00 0.00 C ATOM 889 O LYS A 56 18.395 8.897 20.807 1.00 0.00 O ATOM 890 CB LYS A 56 20.759 11.158 21.130 1.00 0.00 C ATOM 891 CG LYS A 56 22.290 11.073 21.030 1.00 0.00 C ATOM 892 CD LYS A 56 22.867 9.759 21.585 1.00 0.00 C ATOM 893 CE LYS A 56 22.919 9.757 23.120 1.00 0.00 C ATOM 894 NZ LYS A 56 23.433 8.478 23.643 1.00 0.00 N ATOM 0 H LYS A 56 20.386 12.140 18.884 1.00 0.00 H new ATOM 0 HA LYS A 56 20.619 9.473 19.851 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.453 12.204 21.106 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.437 10.753 22.089 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.585 11.178 19.986 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.729 11.911 21.571 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.259 8.922 21.242 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.871 9.607 21.188 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.554 10.573 23.464 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.921 9.939 23.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.726 8.601 24.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.686 7.756 23.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.250 8.174 23.075 1.00 0.00 H new ATOM 908 N ALA A 57 17.641 10.886 20.098 1.00 0.00 N ATOM 909 CA ALA A 57 16.239 10.570 20.355 1.00 0.00 C ATOM 910 C ALA A 57 15.746 9.412 19.472 1.00 0.00 C ATOM 911 O ALA A 57 15.195 8.435 19.977 1.00 0.00 O ATOM 912 CB ALA A 57 15.367 11.821 20.206 1.00 0.00 C ATOM 0 H ALA A 57 17.799 11.822 19.723 1.00 0.00 H new ATOM 0 HA ALA A 57 16.153 10.229 21.387 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.326 11.564 20.402 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.694 12.579 20.918 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.460 12.211 19.192 1.00 0.00 H new ATOM 918 N VAL A 58 15.933 9.496 18.152 1.00 0.00 N ATOM 919 CA VAL A 58 15.497 8.431 17.248 1.00 0.00 C ATOM 920 C VAL A 58 16.239 7.126 17.559 1.00 0.00 C ATOM 921 O VAL A 58 15.626 6.057 17.621 1.00 0.00 O ATOM 922 CB VAL A 58 15.595 8.845 15.769 1.00 0.00 C ATOM 923 CG1 VAL A 58 14.674 10.042 15.504 1.00 0.00 C ATOM 924 CG2 VAL A 58 17.006 9.177 15.284 1.00 0.00 C ATOM 0 H VAL A 58 16.381 10.286 17.688 1.00 0.00 H new ATOM 0 HA VAL A 58 14.437 8.249 17.424 1.00 0.00 H new ATOM 0 HB VAL A 58 15.283 7.968 15.202 1.00 0.00 H new ATOM 0 HG11 VAL A 58 14.747 10.332 14.456 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.645 9.767 15.734 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.975 10.879 16.134 1.00 0.00 H new ATOM 0 HG21 VAL A 58 16.972 9.457 14.231 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.406 10.006 15.867 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.648 8.305 15.407 1.00 0.00 H new ATOM 934 N GLU A 59 17.552 7.218 17.801 1.00 0.00 N ATOM 935 CA GLU A 59 18.346 6.079 18.233 1.00 0.00 C ATOM 936 C GLU A 59 17.732 5.481 19.502 1.00 0.00 C ATOM 937 O GLU A 59 17.491 4.276 19.560 1.00 0.00 O ATOM 938 CB GLU A 59 19.801 6.519 18.439 1.00 0.00 C ATOM 939 CG GLU A 59 20.741 5.340 18.710 1.00 0.00 C ATOM 940 CD GLU A 59 22.162 5.836 18.961 1.00 0.00 C ATOM 941 OE1 GLU A 59 22.378 6.396 20.057 1.00 0.00 O ATOM 942 OE2 GLU A 59 22.998 5.666 18.048 1.00 0.00 O ATOM 0 H GLU A 59 18.085 8.082 17.701 1.00 0.00 H new ATOM 0 HA GLU A 59 18.344 5.300 17.470 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.143 7.055 17.554 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.851 7.218 19.274 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.388 4.777 19.574 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.733 4.658 17.860 1.00 0.00 H new ATOM 949 N TYR A 60 17.452 6.326 20.500 1.00 0.00 N ATOM 950 CA TYR A 60 16.818 5.922 21.744 1.00 0.00 C ATOM 951 C TYR A 60 15.496 5.211 21.465 1.00 0.00 C ATOM 952 O TYR A 60 15.217 4.203 22.097 1.00 0.00 O ATOM 953 CB TYR A 60 16.615 7.101 22.702 1.00 0.00 C ATOM 954 CG TYR A 60 16.032 6.679 24.038 1.00 0.00 C ATOM 955 CD1 TYR A 60 16.886 6.237 25.065 1.00 0.00 C ATOM 956 CD2 TYR A 60 14.637 6.636 24.225 1.00 0.00 C ATOM 957 CE1 TYR A 60 16.352 5.807 26.291 1.00 0.00 C ATOM 958 CE2 TYR A 60 14.103 6.164 25.436 1.00 0.00 C ATOM 959 CZ TYR A 60 14.961 5.747 26.467 1.00 0.00 C ATOM 960 OH TYR A 60 14.443 5.418 27.684 1.00 0.00 O ATOM 0 H TYR A 60 17.665 7.323 20.458 1.00 0.00 H new ATOM 0 HA TYR A 60 17.493 5.224 22.240 1.00 0.00 H new ATOM 0 HB2 TYR A 60 17.571 7.597 22.868 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.954 7.832 22.237 1.00 0.00 H new ATOM 0 HD1 TYR A 60 17.955 6.228 24.910 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.977 6.966 23.437 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.011 5.523 27.098 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.033 6.122 25.574 1.00 0.00 H new ATOM 0 HH TYR A 60 15.173 5.251 28.316 1.00 0.00 H new ATOM 970 N LEU A 61 14.671 5.714 20.544 1.00 0.00 N ATOM 971 CA LEU A 61 13.403 5.066 20.226 1.00 0.00 C ATOM 972 C LEU A 61 13.647 3.614 19.794 1.00 0.00 C ATOM 973 O LEU A 61 13.080 2.681 20.365 1.00 0.00 O ATOM 974 CB LEU A 61 12.642 5.864 19.153 1.00 0.00 C ATOM 975 CG LEU A 61 11.133 5.567 19.136 1.00 0.00 C ATOM 976 CD1 LEU A 61 10.437 6.227 20.337 1.00 0.00 C ATOM 977 CD2 LEU A 61 10.525 6.132 17.848 1.00 0.00 C ATOM 0 H LEU A 61 14.859 6.562 20.010 1.00 0.00 H new ATOM 0 HA LEU A 61 12.777 5.047 21.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.794 6.929 19.325 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.062 5.636 18.173 1.00 0.00 H new ATOM 0 HG LEU A 61 10.990 4.488 19.188 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.370 6.005 20.307 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.862 5.839 21.262 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.584 7.306 20.295 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.455 5.925 17.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.687 7.209 17.811 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.000 5.664 16.986 1.00 0.00 H new ATOM 989 N ASN A 62 14.523 3.417 18.804 1.00 0.00 N ATOM 990 CA ASN A 62 14.859 2.076 18.331 1.00 0.00 C ATOM 991 C ASN A 62 15.419 1.217 19.469 1.00 0.00 C ATOM 992 O ASN A 62 14.913 0.132 19.739 1.00 0.00 O ATOM 993 CB ASN A 62 15.843 2.145 17.160 1.00 0.00 C ATOM 994 CG ASN A 62 16.315 0.742 16.785 1.00 0.00 C ATOM 995 OD1 ASN A 62 15.553 -0.053 16.246 1.00 0.00 O ATOM 996 ND2 ASN A 62 17.565 0.412 17.093 1.00 0.00 N ATOM 0 H ASN A 62 15.010 4.169 18.317 1.00 0.00 H new ATOM 0 HA ASN A 62 13.943 1.603 17.976 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.366 2.618 16.302 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.698 2.764 17.430 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.913 -0.523 16.881 1.00 0.00 H new ATOM 0 HD22 ASN A 62 18.177 1.094 17.541 1.00 0.00 H new ATOM 1003 N TYR A 63 16.462 1.710 20.137 1.00 0.00 N ATOM 1004 CA TYR A 63 17.064 1.093 21.316 1.00 0.00 C ATOM 1005 C TYR A 63 15.978 0.617 22.291 1.00 0.00 C ATOM 1006 O TYR A 63 15.946 -0.544 22.695 1.00 0.00 O ATOM 1007 CB TYR A 63 18.018 2.130 21.938 1.00 0.00 C ATOM 1008 CG TYR A 63 18.274 2.041 23.427 1.00 0.00 C ATOM 1009 CD1 TYR A 63 17.403 2.691 24.325 1.00 0.00 C ATOM 1010 CD2 TYR A 63 19.455 1.452 23.911 1.00 0.00 C ATOM 1011 CE1 TYR A 63 17.631 2.620 25.704 1.00 0.00 C ATOM 1012 CE2 TYR A 63 19.714 1.437 25.290 1.00 0.00 C ATOM 1013 CZ TYR A 63 18.784 1.991 26.186 1.00 0.00 C ATOM 1014 OH TYR A 63 19.059 2.059 27.514 1.00 0.00 O ATOM 0 H TYR A 63 16.925 2.577 19.863 1.00 0.00 H new ATOM 0 HA TYR A 63 17.632 0.201 21.053 1.00 0.00 H new ATOM 0 HB2 TYR A 63 18.978 2.053 21.427 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.621 3.122 21.724 1.00 0.00 H new ATOM 0 HD1 TYR A 63 16.557 3.246 23.947 1.00 0.00 H new ATOM 0 HD2 TYR A 63 20.162 1.012 23.223 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.919 3.049 26.394 1.00 0.00 H new ATOM 0 HE2 TYR A 63 20.628 1.000 25.663 1.00 0.00 H new ATOM 0 HH TYR A 63 19.891 1.575 27.701 1.00 0.00 H new ATOM 1024 N ASN A 64 15.073 1.521 22.655 1.00 0.00 N ATOM 1025 CA ASN A 64 14.043 1.286 23.649 1.00 0.00 C ATOM 1026 C ASN A 64 13.144 0.150 23.173 1.00 0.00 C ATOM 1027 O ASN A 64 12.916 -0.799 23.916 1.00 0.00 O ATOM 1028 CB ASN A 64 13.275 2.588 23.911 1.00 0.00 C ATOM 1029 CG ASN A 64 12.315 2.492 25.092 1.00 0.00 C ATOM 1030 OD1 ASN A 64 12.470 1.652 25.972 1.00 0.00 O ATOM 1031 ND2 ASN A 64 11.327 3.380 25.142 1.00 0.00 N ATOM 0 H ASN A 64 15.039 2.458 22.254 1.00 0.00 H new ATOM 0 HA ASN A 64 14.480 0.980 24.600 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.988 3.392 24.095 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.714 2.858 23.016 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.675 3.374 25.926 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.221 4.068 24.396 1.00 0.00 H new ATOM 1038 N LEU A 65 12.692 0.199 21.916 1.00 0.00 N ATOM 1039 CA LEU A 65 11.950 -0.908 21.318 1.00 0.00 C ATOM 1040 C LEU A 65 12.731 -2.226 21.433 1.00 0.00 C ATOM 1041 O LEU A 65 12.172 -3.256 21.802 1.00 0.00 O ATOM 1042 CB LEU A 65 11.639 -0.591 19.849 1.00 0.00 C ATOM 1043 CG LEU A 65 10.631 -1.580 19.238 1.00 0.00 C ATOM 1044 CD1 LEU A 65 9.193 -1.130 19.520 1.00 0.00 C ATOM 1045 CD2 LEU A 65 10.874 -1.702 17.732 1.00 0.00 C ATOM 0 H LEU A 65 12.829 0.996 21.295 1.00 0.00 H new ATOM 0 HA LEU A 65 11.014 -1.031 21.862 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.242 0.421 19.774 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.563 -0.614 19.271 1.00 0.00 H new ATOM 0 HG LEU A 65 10.773 -2.558 19.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.496 -1.843 19.080 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.031 -1.082 20.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.028 -0.145 19.084 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.158 -2.403 17.304 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.751 -0.726 17.263 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.887 -2.064 17.555 1.00 0.00 H new ATOM 1057 N LYS A 66 14.020 -2.207 21.086 1.00 0.00 N ATOM 1058 CA LYS A 66 14.844 -3.408 21.024 1.00 0.00 C ATOM 1059 C LYS A 66 15.190 -3.987 22.398 1.00 0.00 C ATOM 1060 O LYS A 66 15.541 -5.163 22.461 1.00 0.00 O ATOM 1061 CB LYS A 66 16.122 -3.127 20.219 1.00 0.00 C ATOM 1062 CG LYS A 66 15.865 -2.838 18.731 1.00 0.00 C ATOM 1063 CD LYS A 66 15.320 -4.065 17.990 1.00 0.00 C ATOM 1064 CE LYS A 66 15.354 -3.867 16.469 1.00 0.00 C ATOM 1065 NZ LYS A 66 14.537 -2.717 16.040 1.00 0.00 N ATOM 0 H LYS A 66 14.520 -1.353 20.840 1.00 0.00 H new ATOM 0 HA LYS A 66 14.248 -4.169 20.520 1.00 0.00 H new ATOM 0 HB2 LYS A 66 16.639 -2.276 20.661 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.790 -3.984 20.303 1.00 0.00 H new ATOM 0 HG2 LYS A 66 15.156 -2.015 18.639 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.793 -2.513 18.260 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.909 -4.943 18.257 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.296 -4.259 18.310 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.385 -3.719 16.146 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.993 -4.771 15.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.322 -2.803 15.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.649 -2.700 16.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.062 -1.836 16.209 1.00 0.00 H new ATOM 1079 N TYR A 67 15.130 -3.198 23.477 1.00 0.00 N ATOM 1080 CA TYR A 67 15.510 -3.660 24.815 1.00 0.00 C ATOM 1081 C TYR A 67 14.352 -3.763 25.814 1.00 0.00 C ATOM 1082 O TYR A 67 14.419 -4.604 26.713 1.00 0.00 O ATOM 1083 CB TYR A 67 16.647 -2.793 25.364 1.00 0.00 C ATOM 1084 CG TYR A 67 17.966 -2.981 24.638 1.00 0.00 C ATOM 1085 CD1 TYR A 67 18.623 -4.223 24.700 1.00 0.00 C ATOM 1086 CD2 TYR A 67 18.552 -1.923 23.919 1.00 0.00 C ATOM 1087 CE1 TYR A 67 19.855 -4.411 24.054 1.00 0.00 C ATOM 1088 CE2 TYR A 67 19.776 -2.115 23.255 1.00 0.00 C ATOM 1089 CZ TYR A 67 20.429 -3.356 23.328 1.00 0.00 C ATOM 1090 OH TYR A 67 21.650 -3.511 22.743 1.00 0.00 O ATOM 0 H TYR A 67 14.818 -2.227 23.447 1.00 0.00 H new ATOM 0 HA TYR A 67 15.854 -4.687 24.692 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.355 -1.745 25.301 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.788 -3.022 26.420 1.00 0.00 H new ATOM 0 HD1 TYR A 67 18.176 -5.039 25.249 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.061 -0.962 23.877 1.00 0.00 H new ATOM 0 HE1 TYR A 67 20.359 -5.364 24.115 1.00 0.00 H new ATOM 0 HE2 TYR A 67 20.215 -1.307 22.688 1.00 0.00 H new ATOM 0 HH TYR A 67 21.898 -2.684 22.280 1.00 0.00 H new ATOM 1100 N SER A 68 13.320 -2.922 25.692 1.00 0.00 N ATOM 1101 CA SER A 68 12.236 -2.789 26.661 1.00 0.00 C ATOM 1102 C SER A 68 10.929 -3.380 26.125 1.00 0.00 C ATOM 1103 O SER A 68 10.548 -3.106 24.990 1.00 0.00 O ATOM 1104 CB SER A 68 12.010 -1.302 26.951 1.00 0.00 C ATOM 1105 OG SER A 68 13.228 -0.651 27.257 1.00 0.00 O ATOM 0 H SER A 68 13.216 -2.298 24.892 1.00 0.00 H new ATOM 0 HA SER A 68 12.519 -3.330 27.564 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.547 -0.826 26.086 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.316 -1.192 27.785 1.00 0.00 H new ATOM 0 HG SER A 68 13.217 0.255 26.884 1.00 0.00 H new ATOM 1111 N GLY A 69 10.212 -4.147 26.949 1.00 0.00 N ATOM 1112 CA GLY A 69 8.952 -4.769 26.559 1.00 0.00 C ATOM 1113 C GLY A 69 9.209 -5.867 25.530 1.00 0.00 C ATOM 1114 O GLY A 69 8.444 -6.033 24.582 1.00 0.00 O ATOM 0 H GLY A 69 10.493 -4.353 27.908 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.457 -5.189 27.435 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.280 -4.019 26.142 1.00 0.00 H new ATOM 1118 N VAL A 70 10.302 -6.604 25.727 1.00 0.00 N ATOM 1119 CA VAL A 70 10.794 -7.607 24.790 1.00 0.00 C ATOM 1120 C VAL A 70 10.426 -9.010 25.276 1.00 0.00 C ATOM 1121 O VAL A 70 9.785 -9.167 26.313 1.00 0.00 O ATOM 1122 CB VAL A 70 12.309 -7.416 24.593 1.00 0.00 C ATOM 1123 CG1 VAL A 70 12.575 -6.102 23.856 1.00 0.00 C ATOM 1124 CG2 VAL A 70 13.097 -7.429 25.907 1.00 0.00 C ATOM 0 H VAL A 70 10.881 -6.516 26.562 1.00 0.00 H new ATOM 0 HA VAL A 70 10.319 -7.484 23.817 1.00 0.00 H new ATOM 0 HB VAL A 70 12.655 -8.265 24.004 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.649 -5.972 23.720 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.086 -6.125 22.882 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.181 -5.271 24.440 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.157 -7.290 25.697 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.745 -6.622 26.550 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.949 -8.385 26.410 1.00 0.00 H new ATOM 1244 N GLU A 79 23.293 1.043 29.505 1.00 0.00 N ATOM 1245 CA GLU A 79 23.598 2.367 30.034 1.00 0.00 C ATOM 1246 C GLU A 79 23.692 3.387 28.891 1.00 0.00 C ATOM 1247 O GLU A 79 24.782 3.823 28.523 1.00 0.00 O ATOM 1248 CB GLU A 79 24.902 2.302 30.843 1.00 0.00 C ATOM 1249 CG GLU A 79 24.799 1.339 32.035 1.00 0.00 C ATOM 1250 CD GLU A 79 26.090 1.320 32.846 1.00 0.00 C ATOM 1251 OE1 GLU A 79 27.077 0.757 32.324 1.00 0.00 O ATOM 1252 OE2 GLU A 79 26.070 1.869 33.969 1.00 0.00 O ATOM 0 HA GLU A 79 22.797 2.693 30.697 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.716 1.985 30.191 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.153 3.299 31.205 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.969 1.638 32.676 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.578 0.334 31.675 1.00 0.00 H new ATOM 1259 N PHE A 80 22.546 3.767 28.320 1.00 0.00 N ATOM 1260 CA PHE A 80 22.478 4.779 27.272 1.00 0.00 C ATOM 1261 C PHE A 80 22.768 6.156 27.875 1.00 0.00 C ATOM 1262 O PHE A 80 21.847 6.917 28.174 1.00 0.00 O ATOM 1263 CB PHE A 80 21.113 4.725 26.575 1.00 0.00 C ATOM 1264 CG PHE A 80 21.024 5.420 25.230 1.00 0.00 C ATOM 1265 CD1 PHE A 80 20.632 6.771 25.151 1.00 0.00 C ATOM 1266 CD2 PHE A 80 21.165 4.667 24.049 1.00 0.00 C ATOM 1267 CE1 PHE A 80 20.330 7.347 23.903 1.00 0.00 C ATOM 1268 CE2 PHE A 80 20.871 5.246 22.804 1.00 0.00 C ATOM 1269 CZ PHE A 80 20.444 6.583 22.730 1.00 0.00 C ATOM 0 H PHE A 80 21.638 3.378 28.575 1.00 0.00 H new ATOM 0 HA PHE A 80 23.234 4.582 26.512 1.00 0.00 H new ATOM 0 HB2 PHE A 80 20.838 3.679 26.440 1.00 0.00 H new ATOM 0 HB3 PHE A 80 20.370 5.167 27.240 1.00 0.00 H new ATOM 0 HD1 PHE A 80 20.563 7.366 26.050 1.00 0.00 H new ATOM 0 HD2 PHE A 80 21.500 3.642 24.101 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.010 8.377 23.847 1.00 0.00 H new ATOM 0 HE2 PHE A 80 20.973 4.662 21.901 1.00 0.00 H new ATOM 0 HZ PHE A 80 20.204 7.022 21.773 1.00 0.00 H new ATOM 1279 N GLU A 81 24.051 6.457 28.082 1.00 0.00 N ATOM 1280 CA GLU A 81 24.492 7.749 28.584 1.00 0.00 C ATOM 1281 C GLU A 81 24.000 8.882 27.688 1.00 0.00 C ATOM 1282 O GLU A 81 23.809 8.698 26.485 1.00 0.00 O ATOM 1283 CB GLU A 81 26.022 7.812 28.655 1.00 0.00 C ATOM 1284 CG GLU A 81 26.633 6.725 29.552 1.00 0.00 C ATOM 1285 CD GLU A 81 26.063 6.765 30.966 1.00 0.00 C ATOM 1286 OE1 GLU A 81 26.493 7.663 31.721 1.00 0.00 O ATOM 1287 OE2 GLU A 81 25.194 5.915 31.258 1.00 0.00 O ATOM 0 H GLU A 81 24.814 5.804 27.903 1.00 0.00 H new ATOM 0 HA GLU A 81 24.072 7.867 29.583 1.00 0.00 H new ATOM 0 HB2 GLU A 81 26.430 7.715 27.649 1.00 0.00 H new ATOM 0 HB3 GLU A 81 26.322 8.792 29.027 1.00 0.00 H new ATOM 0 HG2 GLU A 81 26.446 5.745 29.113 1.00 0.00 H new ATOM 0 HG3 GLU A 81 27.715 6.854 29.593 1.00 0.00 H new ATOM 1294 N ILE A 82 23.843 10.066 28.284 1.00 0.00 N ATOM 1295 CA ILE A 82 23.372 11.254 27.600 1.00 0.00 C ATOM 1296 C ILE A 82 24.392 12.375 27.859 1.00 0.00 C ATOM 1297 O ILE A 82 24.500 12.815 29.002 1.00 0.00 O ATOM 1298 CB ILE A 82 21.955 11.609 28.092 1.00 0.00 C ATOM 1299 CG1 ILE A 82 21.009 10.390 28.055 1.00 0.00 C ATOM 1300 CG2 ILE A 82 21.421 12.728 27.197 1.00 0.00 C ATOM 1301 CD1 ILE A 82 19.599 10.693 28.572 1.00 0.00 C ATOM 0 H ILE A 82 24.045 10.220 29.272 1.00 0.00 H new ATOM 0 HA ILE A 82 23.295 11.097 26.524 1.00 0.00 H new ATOM 0 HB ILE A 82 22.003 11.932 29.132 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.941 10.024 27.030 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.441 9.587 28.652 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.417 13.004 27.519 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.076 13.596 27.269 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.389 12.383 26.164 1.00 0.00 H new ATOM 0 HD11 ILE A 82 18.990 9.791 28.517 1.00 0.00 H new ATOM 0 HD12 ILE A 82 19.656 11.030 29.607 1.00 0.00 H new ATOM 0 HD13 ILE A 82 19.147 11.474 27.961 1.00 0.00 H new ATOM 1313 N PRO A 83 25.189 12.797 26.855 1.00 0.00 N ATOM 1314 CA PRO A 83 26.286 13.748 27.027 1.00 0.00 C ATOM 1315 C PRO A 83 25.942 15.142 27.578 1.00 0.00 C ATOM 1316 O PRO A 83 26.023 16.145 26.870 1.00 0.00 O ATOM 1317 CB PRO A 83 27.069 13.771 25.709 1.00 0.00 C ATOM 1318 CG PRO A 83 26.765 12.404 25.103 1.00 0.00 C ATOM 1319 CD PRO A 83 25.346 12.100 25.585 1.00 0.00 C ATOM 0 HA PRO A 83 26.902 13.388 27.851 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.741 14.582 25.059 1.00 0.00 H new ATOM 0 HB3 PRO A 83 28.137 13.909 25.877 1.00 0.00 H new ATOM 0 HG2 PRO A 83 26.822 12.427 24.015 1.00 0.00 H new ATOM 0 HG3 PRO A 83 27.474 11.649 25.443 1.00 0.00 H new ATOM 0 HD2 PRO A 83 24.607 12.441 24.860 1.00 0.00 H new ATOM 0 HD3 PRO A 83 25.199 11.027 25.709 1.00 0.00 H new ATOM 1327 N THR A 84 25.666 15.231 28.880 1.00 0.00 N ATOM 1328 CA THR A 84 25.528 16.467 29.648 1.00 0.00 C ATOM 1329 C THR A 84 24.450 17.395 29.077 1.00 0.00 C ATOM 1330 O THR A 84 23.268 17.236 29.379 1.00 0.00 O ATOM 1331 CB THR A 84 26.900 17.150 29.846 1.00 0.00 C ATOM 1332 OG1 THR A 84 27.458 17.629 28.635 1.00 0.00 O ATOM 1333 CG2 THR A 84 27.907 16.200 30.502 1.00 0.00 C ATOM 0 H THR A 84 25.526 14.400 29.455 1.00 0.00 H new ATOM 0 HA THR A 84 25.167 16.206 30.643 1.00 0.00 H new ATOM 0 HB THR A 84 26.708 18.002 30.498 1.00 0.00 H new ATOM 0 HG1 THR A 84 27.011 17.199 27.876 1.00 0.00 H new ATOM 0 HG21 THR A 84 28.861 16.711 30.627 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.532 15.889 31.477 1.00 0.00 H new ATOM 0 HG23 THR A 84 28.045 15.323 29.870 1.00 0.00 H new ATOM 1341 N GLU A 85 24.858 18.362 28.255 1.00 0.00 N ATOM 1342 CA GLU A 85 23.987 19.345 27.636 1.00 0.00 C ATOM 1343 C GLU A 85 22.883 18.668 26.821 1.00 0.00 C ATOM 1344 O GLU A 85 21.750 19.149 26.817 1.00 0.00 O ATOM 1345 CB GLU A 85 24.817 20.294 26.761 1.00 0.00 C ATOM 1346 CG GLU A 85 25.879 21.046 27.579 1.00 0.00 C ATOM 1347 CD GLU A 85 26.612 22.077 26.726 1.00 0.00 C ATOM 1348 OE1 GLU A 85 27.458 21.642 25.914 1.00 0.00 O ATOM 1349 OE2 GLU A 85 26.306 23.277 26.894 1.00 0.00 O ATOM 0 H GLU A 85 25.838 18.481 27.997 1.00 0.00 H new ATOM 0 HA GLU A 85 23.501 19.926 28.420 1.00 0.00 H new ATOM 0 HB2 GLU A 85 25.304 19.725 25.969 1.00 0.00 H new ATOM 0 HB3 GLU A 85 24.156 21.013 26.276 1.00 0.00 H new ATOM 0 HG2 GLU A 85 25.404 21.543 28.425 1.00 0.00 H new ATOM 0 HG3 GLU A 85 26.596 20.335 27.989 1.00 0.00 H new ATOM 1356 N MET A 86 23.208 17.565 26.128 1.00 0.00 N ATOM 1357 CA MET A 86 22.281 16.931 25.193 1.00 0.00 C ATOM 1358 C MET A 86 20.901 16.734 25.824 1.00 0.00 C ATOM 1359 O MET A 86 19.877 17.106 25.250 1.00 0.00 O ATOM 1360 CB MET A 86 22.817 15.589 24.671 1.00 0.00 C ATOM 1361 CG MET A 86 24.198 15.708 24.013 1.00 0.00 C ATOM 1362 SD MET A 86 24.671 14.411 22.833 1.00 0.00 S ATOM 1363 CE MET A 86 23.471 14.640 21.502 1.00 0.00 C ATOM 0 H MET A 86 24.111 17.096 26.202 1.00 0.00 H new ATOM 0 HA MET A 86 22.184 17.608 24.344 1.00 0.00 H new ATOM 0 HB2 MET A 86 22.875 14.881 25.498 1.00 0.00 H new ATOM 0 HB3 MET A 86 22.111 15.179 23.949 1.00 0.00 H new ATOM 0 HG2 MET A 86 24.245 16.667 23.497 1.00 0.00 H new ATOM 0 HG3 MET A 86 24.948 15.735 24.804 1.00 0.00 H new ATOM 0 HE1 MET A 86 23.654 13.906 20.717 1.00 0.00 H new ATOM 0 HE2 MET A 86 22.463 14.508 21.895 1.00 0.00 H new ATOM 0 HE3 MET A 86 23.572 15.644 21.090 1.00 0.00 H new ATOM 1373 N SER A 87 20.902 16.166 27.030 1.00 0.00 N ATOM 1374 CA SER A 87 19.740 15.809 27.820 1.00 0.00 C ATOM 1375 C SER A 87 18.648 16.880 27.829 1.00 0.00 C ATOM 1376 O SER A 87 17.464 16.552 27.735 1.00 0.00 O ATOM 1377 CB SER A 87 20.221 15.470 29.237 1.00 0.00 C ATOM 1378 OG SER A 87 21.582 15.075 29.240 1.00 0.00 O ATOM 0 H SER A 87 21.774 15.931 27.505 1.00 0.00 H new ATOM 0 HA SER A 87 19.262 14.944 27.361 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.091 16.337 29.884 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.607 14.669 29.649 1.00 0.00 H new ATOM 0 HG SER A 87 22.148 15.852 29.432 1.00 0.00 H new ATOM 1384 N LEU A 88 19.041 18.155 27.939 1.00 0.00 N ATOM 1385 CA LEU A 88 18.105 19.263 28.059 1.00 0.00 C ATOM 1386 C LEU A 88 17.162 19.282 26.857 1.00 0.00 C ATOM 1387 O LEU A 88 15.943 19.282 27.018 1.00 0.00 O ATOM 1388 CB LEU A 88 18.857 20.599 28.166 1.00 0.00 C ATOM 1389 CG LEU A 88 19.472 20.916 29.544 1.00 0.00 C ATOM 1390 CD1 LEU A 88 18.396 21.156 30.612 1.00 0.00 C ATOM 1391 CD2 LEU A 88 20.463 19.857 30.043 1.00 0.00 C ATOM 0 H LEU A 88 20.020 18.440 27.947 1.00 0.00 H new ATOM 0 HA LEU A 88 17.519 19.126 28.968 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.655 20.605 27.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.170 21.403 27.903 1.00 0.00 H new ATOM 0 HG LEU A 88 20.036 21.835 29.386 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.874 21.376 31.567 1.00 0.00 H new ATOM 0 HD12 LEU A 88 17.771 21.999 30.316 1.00 0.00 H new ATOM 0 HD13 LEU A 88 17.778 20.264 30.713 1.00 0.00 H new ATOM 0 HD21 LEU A 88 20.851 20.153 31.018 1.00 0.00 H new ATOM 0 HD22 LEU A 88 19.955 18.896 30.131 1.00 0.00 H new ATOM 0 HD23 LEU A 88 21.288 19.768 29.336 1.00 0.00 H new ATOM 1403 N GLU A 89 17.726 19.300 25.647 1.00 0.00 N ATOM 1404 CA GLU A 89 16.922 19.341 24.436 1.00 0.00 C ATOM 1405 C GLU A 89 16.424 17.940 24.077 1.00 0.00 C ATOM 1406 O GLU A 89 15.345 17.810 23.501 1.00 0.00 O ATOM 1407 CB GLU A 89 17.694 20.020 23.299 1.00 0.00 C ATOM 1408 CG GLU A 89 16.760 20.236 22.097 1.00 0.00 C ATOM 1409 CD GLU A 89 17.445 20.960 20.943 1.00 0.00 C ATOM 1410 OE1 GLU A 89 17.472 22.209 20.989 1.00 0.00 O ATOM 1411 OE2 GLU A 89 17.916 20.254 20.023 1.00 0.00 O ATOM 0 H GLU A 89 18.733 19.287 25.486 1.00 0.00 H new ATOM 0 HA GLU A 89 16.035 19.949 24.610 1.00 0.00 H new ATOM 0 HB2 GLU A 89 18.094 20.976 23.638 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.544 19.405 23.005 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.394 19.270 21.749 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.890 20.811 22.416 1.00 0.00 H new ATOM 1418 N LEU A 90 17.183 16.890 24.416 1.00 0.00 N ATOM 1419 CA LEU A 90 16.784 15.513 24.140 1.00 0.00 C ATOM 1420 C LEU A 90 15.370 15.244 24.656 1.00 0.00 C ATOM 1421 O LEU A 90 14.579 14.593 23.970 1.00 0.00 O ATOM 1422 CB LEU A 90 17.784 14.519 24.746 1.00 0.00 C ATOM 1423 CG LEU A 90 17.708 13.147 24.056 1.00 0.00 C ATOM 1424 CD1 LEU A 90 18.526 13.146 22.769 1.00 0.00 C ATOM 1425 CD2 LEU A 90 18.238 12.053 24.987 1.00 0.00 C ATOM 0 H LEU A 90 18.084 16.975 24.886 1.00 0.00 H new ATOM 0 HA LEU A 90 16.784 15.373 23.059 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.794 14.917 24.654 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.582 14.403 25.811 1.00 0.00 H new ATOM 0 HG LEU A 90 16.663 12.948 23.817 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.459 12.166 22.296 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.136 13.904 22.090 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.568 13.367 23.000 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.178 11.087 24.485 1.00 0.00 H new ATOM 0 HD22 LEU A 90 19.276 12.265 25.243 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.638 12.027 25.896 1.00 0.00 H new ATOM 1437 N LEU A 91 15.054 15.780 25.843 1.00 0.00 N ATOM 1438 CA LEU A 91 13.699 15.753 26.382 1.00 0.00 C ATOM 1439 C LEU A 91 12.719 16.202 25.306 1.00 0.00 C ATOM 1440 O LEU A 91 11.910 15.406 24.844 1.00 0.00 O ATOM 1441 CB LEU A 91 13.571 16.668 27.608 1.00 0.00 C ATOM 1442 CG LEU A 91 14.230 16.102 28.872 1.00 0.00 C ATOM 1443 CD1 LEU A 91 14.394 17.239 29.889 1.00 0.00 C ATOM 1444 CD2 LEU A 91 13.387 14.988 29.503 1.00 0.00 C ATOM 0 H LEU A 91 15.732 16.241 26.450 1.00 0.00 H new ATOM 0 HA LEU A 91 13.472 14.733 26.693 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.019 17.634 27.377 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.515 16.846 27.809 1.00 0.00 H new ATOM 0 HG LEU A 91 15.195 15.678 28.595 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.862 16.853 30.795 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.021 18.021 29.462 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.415 17.652 30.134 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.888 14.614 30.396 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.408 15.382 29.775 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.265 14.175 28.788 1.00 0.00 H new ATOM 1456 N LEU A 92 12.814 17.465 24.885 1.00 0.00 N ATOM 1457 CA LEU A 92 11.912 18.048 23.904 1.00 0.00 C ATOM 1458 C LEU A 92 11.882 17.197 22.632 1.00 0.00 C ATOM 1459 O LEU A 92 10.814 16.811 22.166 1.00 0.00 O ATOM 1460 CB LEU A 92 12.325 19.493 23.584 1.00 0.00 C ATOM 1461 CG LEU A 92 12.488 20.402 24.815 1.00 0.00 C ATOM 1462 CD1 LEU A 92 12.873 21.809 24.343 1.00 0.00 C ATOM 1463 CD2 LEU A 92 11.203 20.475 25.648 1.00 0.00 C ATOM 0 H LEU A 92 13.527 18.113 25.221 1.00 0.00 H new ATOM 0 HA LEU A 92 10.907 18.067 24.326 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.267 19.474 23.036 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.579 19.932 22.921 1.00 0.00 H new ATOM 0 HG LEU A 92 13.267 19.981 25.450 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.991 22.463 25.207 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.812 21.763 23.791 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.090 22.202 23.695 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.363 21.127 26.507 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.394 20.873 25.035 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.937 19.477 25.995 1.00 0.00 H new ATOM 1475 N ALA A 93 13.064 16.896 22.087 1.00 0.00 N ATOM 1476 CA ALA A 93 13.224 16.141 20.852 1.00 0.00 C ATOM 1477 C ALA A 93 12.449 14.824 20.867 1.00 0.00 C ATOM 1478 O ALA A 93 11.894 14.436 19.841 1.00 0.00 O ATOM 1479 CB ALA A 93 14.709 15.905 20.578 1.00 0.00 C ATOM 0 H ALA A 93 13.951 17.178 22.504 1.00 0.00 H new ATOM 0 HA ALA A 93 12.801 16.735 20.042 1.00 0.00 H new ATOM 0 HB1 ALA A 93 14.823 15.340 19.653 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.218 16.864 20.482 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.146 15.343 21.403 1.00 0.00 H new ATOM 1485 N ALA A 94 12.417 14.135 22.011 1.00 0.00 N ATOM 1486 CA ALA A 94 11.662 12.898 22.147 1.00 0.00 C ATOM 1487 C ALA A 94 10.194 13.156 22.506 1.00 0.00 C ATOM 1488 O ALA A 94 9.281 12.689 21.825 1.00 0.00 O ATOM 1489 CB ALA A 94 12.324 12.026 23.216 1.00 0.00 C ATOM 0 H ALA A 94 12.910 14.419 22.858 1.00 0.00 H new ATOM 0 HA ALA A 94 11.669 12.385 21.186 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.765 11.097 23.325 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.348 11.801 22.919 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.331 12.559 24.167 1.00 0.00 H new ATOM 1495 N ASP A 95 9.971 13.875 23.609 1.00 0.00 N ATOM 1496 CA ASP A 95 8.664 14.022 24.234 1.00 0.00 C ATOM 1497 C ASP A 95 7.703 15.015 23.582 1.00 0.00 C ATOM 1498 O ASP A 95 6.513 14.874 23.842 1.00 0.00 O ATOM 1499 CB ASP A 95 8.788 14.244 25.753 1.00 0.00 C ATOM 1500 CG ASP A 95 9.345 15.601 26.188 1.00 0.00 C ATOM 1501 OD1 ASP A 95 9.009 16.615 25.541 1.00 0.00 O ATOM 1502 OD2 ASP A 95 10.091 15.602 27.193 1.00 0.00 O ATOM 0 H ASP A 95 10.711 14.379 24.098 1.00 0.00 H new ATOM 0 HA ASP A 95 8.180 13.062 24.053 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.802 14.118 26.201 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.427 13.462 26.164 1.00 0.00 H new ATOM 1507 N TYR A 96 8.183 15.944 22.739 1.00 0.00 N ATOM 1508 CA TYR A 96 7.464 17.105 22.191 1.00 0.00 C ATOM 1509 C TYR A 96 5.933 17.042 22.291 1.00 0.00 C ATOM 1510 O TYR A 96 5.327 17.898 22.933 1.00 0.00 O ATOM 1511 CB TYR A 96 7.916 17.403 20.749 1.00 0.00 C ATOM 1512 CG TYR A 96 7.799 16.258 19.758 1.00 0.00 C ATOM 1513 CD1 TYR A 96 8.745 15.217 19.774 1.00 0.00 C ATOM 1514 CD2 TYR A 96 6.778 16.250 18.790 1.00 0.00 C ATOM 1515 CE1 TYR A 96 8.634 14.140 18.880 1.00 0.00 C ATOM 1516 CE2 TYR A 96 6.677 15.183 17.880 1.00 0.00 C ATOM 1517 CZ TYR A 96 7.585 14.112 17.948 1.00 0.00 C ATOM 1518 OH TYR A 96 7.417 13.031 17.135 1.00 0.00 O ATOM 0 H TYR A 96 9.144 15.901 22.401 1.00 0.00 H new ATOM 0 HA TYR A 96 7.744 17.934 22.841 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.331 18.242 20.373 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.956 17.727 20.776 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.563 15.246 20.479 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.071 17.065 18.746 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.354 13.335 18.909 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.901 15.186 17.128 1.00 0.00 H new ATOM 0 HH TYR A 96 6.963 12.317 17.629 1.00 0.00 H new ATOM 1528 N LEU A 97 5.309 16.043 21.662 1.00 0.00 N ATOM 1529 CA LEU A 97 3.891 15.738 21.851 1.00 0.00 C ATOM 1530 C LEU A 97 3.697 14.216 21.945 1.00 0.00 C ATOM 1531 O LEU A 97 2.589 13.705 21.809 1.00 0.00 O ATOM 1532 CB LEU A 97 3.108 16.406 20.703 1.00 0.00 C ATOM 1533 CG LEU A 97 1.571 16.348 20.778 1.00 0.00 C ATOM 1534 CD1 LEU A 97 1.033 16.895 22.106 1.00 0.00 C ATOM 1535 CD2 LEU A 97 0.991 17.169 19.621 1.00 0.00 C ATOM 0 H LEU A 97 5.777 15.420 21.004 1.00 0.00 H new ATOM 0 HA LEU A 97 3.504 16.140 22.788 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.405 17.454 20.655 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.419 15.943 19.767 1.00 0.00 H new ATOM 0 HG LEU A 97 1.269 15.303 20.708 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.055 16.833 22.111 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.434 16.306 22.931 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.338 17.935 22.221 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.098 17.137 19.662 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.327 18.203 19.704 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.331 16.752 18.673 1.00 0.00 H new ATOM 1547 N SER A 98 4.784 13.477 22.173 1.00 0.00 N ATOM 1548 CA SER A 98 4.826 12.026 22.077 1.00 0.00 C ATOM 1549 C SER A 98 4.364 11.360 23.372 1.00 0.00 C ATOM 1550 O SER A 98 3.714 10.320 23.327 1.00 0.00 O ATOM 1551 CB SER A 98 6.254 11.592 21.724 1.00 0.00 C ATOM 1552 OG SER A 98 6.766 12.386 20.666 1.00 0.00 O ATOM 0 H SER A 98 5.680 13.887 22.436 1.00 0.00 H new ATOM 0 HA SER A 98 4.139 11.707 21.294 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.896 11.685 22.600 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.260 10.541 21.434 1.00 0.00 H new ATOM 0 HG SER A 98 7.689 12.645 20.868 1.00 0.00 H new ATOM 1558 N ILE A 99 4.744 11.928 24.521 1.00 0.00 N ATOM 1559 CA ILE A 99 4.486 11.340 25.831 1.00 0.00 C ATOM 1560 C ILE A 99 4.440 12.449 26.885 1.00 0.00 C ATOM 1561 O ILE A 99 5.173 13.444 26.689 1.00 0.00 O ATOM 1562 CB ILE A 99 5.545 10.256 26.137 1.00 0.00 C ATOM 1563 CG1 ILE A 99 5.284 9.483 27.442 1.00 0.00 C ATOM 1564 CG2 ILE A 99 6.966 10.835 26.188 1.00 0.00 C ATOM 1565 CD1 ILE A 99 4.024 8.614 27.370 1.00 0.00 C ATOM 1566 OXT ILE A 99 3.670 12.289 27.856 1.00 0.00 O ATOM 0 H ILE A 99 5.243 12.816 24.564 1.00 0.00 H new ATOM 0 HA ILE A 99 3.516 10.843 25.844 1.00 0.00 H new ATOM 0 HB ILE A 99 5.459 9.556 25.306 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.144 8.852 27.664 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.187 10.190 28.266 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.676 10.037 26.406 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.210 11.286 25.226 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.022 11.594 26.969 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.888 8.091 28.317 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.157 9.246 27.176 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.130 7.886 26.566 1.00 0.00 H new ATOM 1579 N THR B 157 13.357 5.339 30.289 1.00 0.00 N ATOM 1580 CA THR B 157 14.528 5.746 31.093 1.00 0.00 C ATOM 1581 C THR B 157 15.013 7.162 30.753 1.00 0.00 C ATOM 1582 O THR B 157 15.572 7.828 31.623 1.00 0.00 O ATOM 1583 CB THR B 157 15.678 4.730 30.993 1.00 0.00 C ATOM 1584 OG1 THR B 157 16.127 4.598 29.657 1.00 0.00 O ATOM 1585 CG2 THR B 157 15.264 3.348 31.506 1.00 0.00 C ATOM 0 HA THR B 157 14.190 5.763 32.129 1.00 0.00 H new ATOM 0 HB THR B 157 16.484 5.115 31.618 1.00 0.00 H new ATOM 0 HG1 THR B 157 16.612 3.753 29.557 1.00 0.00 H new ATOM 0 HG21 THR B 157 16.105 2.660 31.418 1.00 0.00 H new ATOM 0 HG22 THR B 157 14.964 3.423 32.551 1.00 0.00 H new ATOM 0 HG23 THR B 157 14.427 2.976 30.915 1.00 0.00 H new ATOM 1595 N LEU B 158 14.819 7.614 29.505 1.00 0.00 N ATOM 1596 CA LEU B 158 15.333 8.885 28.989 1.00 0.00 C ATOM 1597 C LEU B 158 15.166 10.026 29.991 1.00 0.00 C ATOM 1598 O LEU B 158 16.143 10.670 30.366 1.00 0.00 O ATOM 1599 CB LEU B 158 14.658 9.210 27.645 1.00 0.00 C ATOM 1600 CG LEU B 158 15.256 10.417 26.895 1.00 0.00 C ATOM 1601 CD1 LEU B 158 14.968 10.259 25.397 1.00 0.00 C ATOM 1602 CD2 LEU B 158 14.681 11.768 27.348 1.00 0.00 C ATOM 0 H LEU B 158 14.286 7.090 28.811 1.00 0.00 H new ATOM 0 HA LEU B 158 16.406 8.777 28.828 1.00 0.00 H new ATOM 0 HB2 LEU B 158 14.721 8.333 27.001 1.00 0.00 H new ATOM 0 HB3 LEU B 158 13.599 9.399 27.823 1.00 0.00 H new ATOM 0 HG LEU B 158 16.324 10.425 27.115 1.00 0.00 H new ATOM 0 HD11 LEU B 158 15.386 11.107 24.855 1.00 0.00 H new ATOM 0 HD12 LEU B 158 15.422 9.337 25.034 1.00 0.00 H new ATOM 0 HD13 LEU B 158 13.891 10.221 25.236 1.00 0.00 H new ATOM 0 HD21 LEU B 158 15.147 12.571 26.778 1.00 0.00 H new ATOM 0 HD22 LEU B 158 13.604 11.780 27.179 1.00 0.00 H new ATOM 0 HD23 LEU B 158 14.883 11.912 28.409 1.00 0.00 H new ATOM 1614 N LYS B 159 13.926 10.286 30.412 1.00 0.00 N ATOM 1615 CA LYS B 159 13.615 11.395 31.302 1.00 0.00 C ATOM 1616 C LYS B 159 14.379 11.258 32.622 1.00 0.00 C ATOM 1617 O LYS B 159 15.013 12.204 33.082 1.00 0.00 O ATOM 1618 CB LYS B 159 12.097 11.460 31.515 1.00 0.00 C ATOM 1619 CG LYS B 159 11.679 12.697 32.320 1.00 0.00 C ATOM 1620 CD LYS B 159 10.151 12.746 32.447 1.00 0.00 C ATOM 1621 CE LYS B 159 9.720 13.982 33.243 1.00 0.00 C ATOM 1622 NZ LYS B 159 8.253 14.054 33.365 1.00 0.00 N ATOM 0 H LYS B 159 13.113 9.731 30.143 1.00 0.00 H new ATOM 0 HA LYS B 159 13.936 12.334 30.850 1.00 0.00 H new ATOM 0 HB2 LYS B 159 11.596 11.472 30.547 1.00 0.00 H new ATOM 0 HB3 LYS B 159 11.766 10.561 32.035 1.00 0.00 H new ATOM 0 HG2 LYS B 159 12.134 12.668 33.310 1.00 0.00 H new ATOM 0 HG3 LYS B 159 12.041 13.600 31.829 1.00 0.00 H new ATOM 0 HD2 LYS B 159 9.698 12.768 31.456 1.00 0.00 H new ATOM 0 HD3 LYS B 159 9.792 11.844 32.942 1.00 0.00 H new ATOM 0 HE2 LYS B 159 10.169 13.953 34.236 1.00 0.00 H new ATOM 0 HE3 LYS B 159 10.091 14.881 32.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 159 7.991 14.901 33.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 159 7.828 14.106 32.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 159 7.903 13.206 33.855 1.00 0.00 H new ATOM 1636 N GLU B 160 14.311 10.075 33.231 1.00 0.00 N ATOM 1637 CA GLU B 160 14.914 9.794 34.524 1.00 0.00 C ATOM 1638 C GLU B 160 16.426 10.016 34.443 1.00 0.00 C ATOM 1639 O GLU B 160 17.013 10.691 35.292 1.00 0.00 O ATOM 1640 CB GLU B 160 14.581 8.355 34.955 1.00 0.00 C ATOM 1641 CG GLU B 160 13.083 8.121 35.230 1.00 0.00 C ATOM 1642 CD GLU B 160 12.182 8.195 33.995 1.00 0.00 C ATOM 1643 OE1 GLU B 160 12.674 7.848 32.897 1.00 0.00 O ATOM 1644 OE2 GLU B 160 11.019 8.619 34.167 1.00 0.00 O ATOM 0 H GLU B 160 13.825 9.273 32.829 1.00 0.00 H new ATOM 0 HA GLU B 160 14.509 10.472 35.276 1.00 0.00 H new ATOM 0 HB2 GLU B 160 14.910 7.667 34.176 1.00 0.00 H new ATOM 0 HB3 GLU B 160 15.148 8.114 35.854 1.00 0.00 H new ATOM 0 HG2 GLU B 160 12.962 7.141 35.692 1.00 0.00 H new ATOM 0 HG3 GLU B 160 12.742 8.860 35.955 1.00 0.00 H new ATOM 1651 N ARG B 161 17.046 9.445 33.407 1.00 0.00 N ATOM 1652 CA ARG B 161 18.464 9.589 33.124 1.00 0.00 C ATOM 1653 C ARG B 161 18.816 11.062 32.923 1.00 0.00 C ATOM 1654 O ARG B 161 19.747 11.555 33.551 1.00 0.00 O ATOM 1655 CB ARG B 161 18.846 8.737 31.907 1.00 0.00 C ATOM 1656 CG ARG B 161 18.849 7.248 32.280 1.00 0.00 C ATOM 1657 CD ARG B 161 19.079 6.375 31.045 1.00 0.00 C ATOM 1658 NE ARG B 161 19.276 4.967 31.426 1.00 0.00 N ATOM 1659 CZ ARG B 161 19.394 3.960 30.549 1.00 0.00 C ATOM 1660 NH1 ARG B 161 19.163 4.178 29.254 1.00 0.00 N ATOM 1661 NH2 ARG B 161 19.744 2.741 30.967 1.00 0.00 N ATOM 0 H ARG B 161 16.559 8.858 32.730 1.00 0.00 H new ATOM 0 HA ARG B 161 19.042 9.228 33.975 1.00 0.00 H new ATOM 0 HB2 ARG B 161 18.141 8.914 31.095 1.00 0.00 H new ATOM 0 HB3 ARG B 161 19.831 9.030 31.544 1.00 0.00 H new ATOM 0 HG2 ARG B 161 19.629 7.055 33.017 1.00 0.00 H new ATOM 0 HG3 ARG B 161 17.899 6.984 32.745 1.00 0.00 H new ATOM 0 HD2 ARG B 161 18.225 6.458 30.372 1.00 0.00 H new ATOM 0 HD3 ARG B 161 19.951 6.734 30.499 1.00 0.00 H new ATOM 0 HE ARG B 161 19.326 4.743 32.420 1.00 0.00 H new ATOM 0 HH11 ARG B 161 18.897 5.109 28.933 1.00 0.00 H new ATOM 0 HH12 ARG B 161 19.252 3.414 28.584 1.00 0.00 H new ATOM 0 HH21 ARG B 161 19.923 2.573 31.957 1.00 0.00 H new ATOM 0 HH22 ARG B 161 19.833 1.978 30.296 1.00 0.00 H new ATOM 1675 N CYS B 162 18.067 11.780 32.081 1.00 0.00 N ATOM 1676 CA CYS B 162 18.268 13.214 31.896 1.00 0.00 C ATOM 1677 C CYS B 162 18.238 13.942 33.239 1.00 0.00 C ATOM 1678 O CYS B 162 19.158 14.696 33.555 1.00 0.00 O ATOM 1679 CB CYS B 162 17.234 13.799 30.930 1.00 0.00 C ATOM 1680 SG CYS B 162 17.407 15.602 30.962 1.00 0.00 S ATOM 0 H CYS B 162 17.314 11.387 31.516 1.00 0.00 H new ATOM 0 HA CYS B 162 19.253 13.360 31.453 1.00 0.00 H new ATOM 0 HB2 CYS B 162 17.394 13.417 29.922 1.00 0.00 H new ATOM 0 HB3 CYS B 162 16.226 13.506 31.225 1.00 0.00 H new ATOM 0 HG CYS B 162 16.630 16.096 31.880 1.00 0.00 H new ATOM 1686 N LEU B 163 17.209 13.686 34.051 1.00 0.00 N ATOM 1687 CA LEU B 163 17.124 14.255 35.386 1.00 0.00 C ATOM 1688 C LEU B 163 18.375 13.917 36.202 1.00 0.00 C ATOM 1689 O LEU B 163 18.938 14.812 36.825 1.00 0.00 O ATOM 1690 CB LEU B 163 15.835 13.816 36.097 1.00 0.00 C ATOM 1691 CG LEU B 163 14.566 14.443 35.493 1.00 0.00 C ATOM 1692 CD1 LEU B 163 13.334 13.697 36.017 1.00 0.00 C ATOM 1693 CD2 LEU B 163 14.434 15.930 35.851 1.00 0.00 C ATOM 0 H LEU B 163 16.424 13.085 33.800 1.00 0.00 H new ATOM 0 HA LEU B 163 17.080 15.340 35.293 1.00 0.00 H new ATOM 0 HB2 LEU B 163 15.754 12.730 36.050 1.00 0.00 H new ATOM 0 HB3 LEU B 163 15.899 14.086 37.151 1.00 0.00 H new ATOM 0 HG LEU B 163 14.639 14.360 34.409 1.00 0.00 H new ATOM 0 HD11 LEU B 163 12.433 14.138 35.591 1.00 0.00 H new ATOM 0 HD12 LEU B 163 13.395 12.647 35.729 1.00 0.00 H new ATOM 0 HD13 LEU B 163 13.297 13.774 37.104 1.00 0.00 H new ATOM 0 HD21 LEU B 163 13.525 16.332 35.404 1.00 0.00 H new ATOM 0 HD22 LEU B 163 14.386 16.041 36.934 1.00 0.00 H new ATOM 0 HD23 LEU B 163 15.298 16.474 35.469 1.00 0.00 H new ATOM 1705 N GLN B 164 18.845 12.661 36.185 1.00 0.00 N ATOM 1706 CA GLN B 164 20.071 12.312 36.899 1.00 0.00 C ATOM 1707 C GLN B 164 21.246 13.149 36.393 1.00 0.00 C ATOM 1708 O GLN B 164 21.982 13.723 37.192 1.00 0.00 O ATOM 1709 CB GLN B 164 20.422 10.816 36.807 1.00 0.00 C ATOM 1710 CG GLN B 164 19.378 9.835 37.360 1.00 0.00 C ATOM 1711 CD GLN B 164 18.538 10.422 38.489 1.00 0.00 C ATOM 1712 OE1 GLN B 164 18.971 10.465 39.638 1.00 0.00 O ATOM 1713 NE2 GLN B 164 17.339 10.893 38.160 1.00 0.00 N ATOM 0 H GLN B 164 18.401 11.886 35.693 1.00 0.00 H new ATOM 0 HA GLN B 164 19.883 12.534 37.950 1.00 0.00 H new ATOM 0 HB2 GLN B 164 20.601 10.571 35.760 1.00 0.00 H new ATOM 0 HB3 GLN B 164 21.360 10.652 37.337 1.00 0.00 H new ATOM 0 HG2 GLN B 164 18.719 9.522 36.550 1.00 0.00 H new ATOM 0 HG3 GLN B 164 19.885 8.940 37.721 1.00 0.00 H new ATOM 0 HE21 GLN B 164 17.017 10.838 37.194 1.00 0.00 H new ATOM 0 HE22 GLN B 164 16.741 11.309 38.874 1.00 0.00 H new ATOM 1722 N VAL B 165 21.437 13.216 35.074 1.00 0.00 N ATOM 1723 CA VAL B 165 22.518 13.985 34.473 1.00 0.00 C ATOM 1724 C VAL B 165 22.445 15.437 34.957 1.00 0.00 C ATOM 1725 O VAL B 165 23.401 15.938 35.548 1.00 0.00 O ATOM 1726 CB VAL B 165 22.480 13.847 32.937 1.00 0.00 C ATOM 1727 CG1 VAL B 165 23.452 14.813 32.251 1.00 0.00 C ATOM 1728 CG2 VAL B 165 22.863 12.419 32.524 1.00 0.00 C ATOM 0 H VAL B 165 20.844 12.737 34.396 1.00 0.00 H new ATOM 0 HA VAL B 165 23.485 13.593 34.790 1.00 0.00 H new ATOM 0 HB VAL B 165 21.463 14.083 32.625 1.00 0.00 H new ATOM 0 HG11 VAL B 165 23.393 14.682 31.170 1.00 0.00 H new ATOM 0 HG12 VAL B 165 23.187 15.839 32.507 1.00 0.00 H new ATOM 0 HG13 VAL B 165 24.468 14.606 32.586 1.00 0.00 H new ATOM 0 HG21 VAL B 165 22.833 12.334 31.438 1.00 0.00 H new ATOM 0 HG22 VAL B 165 23.870 12.196 32.877 1.00 0.00 H new ATOM 0 HG23 VAL B 165 22.159 11.712 32.963 1.00 0.00 H new ATOM 1738 N VAL B 166 21.307 16.101 34.738 1.00 0.00 N ATOM 1739 CA VAL B 166 21.104 17.490 35.137 1.00 0.00 C ATOM 1740 C VAL B 166 21.395 17.665 36.631 1.00 0.00 C ATOM 1741 O VAL B 166 22.171 18.540 37.013 1.00 0.00 O ATOM 1742 CB VAL B 166 19.682 17.942 34.753 1.00 0.00 C ATOM 1743 CG1 VAL B 166 19.350 19.328 35.325 1.00 0.00 C ATOM 1744 CG2 VAL B 166 19.544 18.009 33.226 1.00 0.00 C ATOM 0 H VAL B 166 20.498 15.685 34.276 1.00 0.00 H new ATOM 0 HA VAL B 166 21.805 18.132 34.603 1.00 0.00 H new ATOM 0 HB VAL B 166 18.991 17.210 35.171 1.00 0.00 H new ATOM 0 HG11 VAL B 166 18.339 19.610 35.032 1.00 0.00 H new ATOM 0 HG12 VAL B 166 19.417 19.298 36.413 1.00 0.00 H new ATOM 0 HG13 VAL B 166 20.058 20.061 34.937 1.00 0.00 H new ATOM 0 HG21 VAL B 166 18.535 18.329 32.966 1.00 0.00 H new ATOM 0 HG22 VAL B 166 20.266 18.722 32.826 1.00 0.00 H new ATOM 0 HG23 VAL B 166 19.733 17.024 32.800 1.00 0.00 H new ATOM 1754 N ARG B 167 20.784 16.826 37.473 1.00 0.00 N ATOM 1755 CA ARG B 167 20.968 16.831 38.920 1.00 0.00 C ATOM 1756 C ARG B 167 22.455 16.749 39.269 1.00 0.00 C ATOM 1757 O ARG B 167 22.960 17.562 40.042 1.00 0.00 O ATOM 1758 CB ARG B 167 20.143 15.683 39.520 1.00 0.00 C ATOM 1759 CG ARG B 167 20.149 15.582 41.053 1.00 0.00 C ATOM 1760 CD ARG B 167 21.426 15.002 41.688 1.00 0.00 C ATOM 1761 NE ARG B 167 22.039 13.914 40.908 1.00 0.00 N ATOM 1762 CZ ARG B 167 21.512 12.706 40.662 1.00 0.00 C ATOM 1763 NH1 ARG B 167 20.303 12.371 41.124 1.00 0.00 N ATOM 1764 NH2 ARG B 167 22.213 11.831 39.937 1.00 0.00 N ATOM 0 H ARG B 167 20.132 16.108 37.155 1.00 0.00 H new ATOM 0 HA ARG B 167 20.610 17.765 39.353 1.00 0.00 H new ATOM 0 HB2 ARG B 167 19.111 15.790 39.186 1.00 0.00 H new ATOM 0 HB3 ARG B 167 20.514 14.743 39.112 1.00 0.00 H new ATOM 0 HG2 ARG B 167 19.984 16.578 41.463 1.00 0.00 H new ATOM 0 HG3 ARG B 167 19.303 14.967 41.360 1.00 0.00 H new ATOM 0 HD2 ARG B 167 22.155 15.803 41.811 1.00 0.00 H new ATOM 0 HD3 ARG B 167 21.188 14.632 42.685 1.00 0.00 H new ATOM 0 HE ARG B 167 22.961 14.099 40.513 1.00 0.00 H new ATOM 0 HH11 ARG B 167 19.764 13.040 41.674 1.00 0.00 H new ATOM 0 HH12 ARG B 167 19.919 11.447 40.926 1.00 0.00 H new ATOM 0 HH21 ARG B 167 23.134 12.086 39.580 1.00 0.00 H new ATOM 0 HH22 ARG B 167 21.828 10.907 39.740 1.00 0.00 H new ATOM 1778 N SER B 168 23.169 15.785 38.689 1.00 0.00 N ATOM 1779 CA SER B 168 24.588 15.592 38.952 1.00 0.00 C ATOM 1780 C SER B 168 25.404 16.796 38.473 1.00 0.00 C ATOM 1781 O SER B 168 26.363 17.191 39.128 1.00 0.00 O ATOM 1782 CB SER B 168 25.073 14.295 38.299 1.00 0.00 C ATOM 1783 OG SER B 168 24.231 13.222 38.678 1.00 0.00 O ATOM 0 H SER B 168 22.777 15.118 38.024 1.00 0.00 H new ATOM 0 HA SER B 168 24.734 15.508 40.029 1.00 0.00 H new ATOM 0 HB2 SER B 168 25.075 14.402 37.214 1.00 0.00 H new ATOM 0 HB3 SER B 168 26.100 14.087 38.600 1.00 0.00 H new ATOM 0 HG SER B 168 23.402 13.257 38.157 1.00 0.00 H new ATOM 1789 N LEU B 169 25.031 17.365 37.323 1.00 0.00 N ATOM 1790 CA LEU B 169 25.690 18.526 36.745 1.00 0.00 C ATOM 1791 C LEU B 169 25.545 19.722 37.688 1.00 0.00 C ATOM 1792 O LEU B 169 26.545 20.305 38.099 1.00 0.00 O ATOM 1793 CB LEU B 169 25.117 18.781 35.339 1.00 0.00 C ATOM 1794 CG LEU B 169 25.927 19.748 34.457 1.00 0.00 C ATOM 1795 CD1 LEU B 169 25.450 19.599 33.006 1.00 0.00 C ATOM 1796 CD2 LEU B 169 25.768 21.218 34.868 1.00 0.00 C ATOM 0 H LEU B 169 24.250 17.022 36.764 1.00 0.00 H new ATOM 0 HA LEU B 169 26.760 18.352 36.628 1.00 0.00 H new ATOM 0 HB2 LEU B 169 25.036 17.826 34.820 1.00 0.00 H new ATOM 0 HB3 LEU B 169 24.106 19.174 35.444 1.00 0.00 H new ATOM 0 HG LEU B 169 26.979 19.488 34.574 1.00 0.00 H new ATOM 0 HD11 LEU B 169 26.014 20.278 32.366 1.00 0.00 H new ATOM 0 HD12 LEU B 169 25.608 18.573 32.675 1.00 0.00 H new ATOM 0 HD13 LEU B 169 24.389 19.841 32.945 1.00 0.00 H new ATOM 0 HD21 LEU B 169 26.364 21.847 34.207 1.00 0.00 H new ATOM 0 HD22 LEU B 169 24.719 21.505 34.794 1.00 0.00 H new ATOM 0 HD23 LEU B 169 26.108 21.347 35.896 1.00 0.00 H new ATOM 1808 N VAL B 170 24.308 20.102 38.027 1.00 0.00 N ATOM 1809 CA VAL B 170 24.073 21.266 38.877 1.00 0.00 C ATOM 1810 C VAL B 170 24.599 21.023 40.297 1.00 0.00 C ATOM 1811 O VAL B 170 25.134 21.937 40.919 1.00 0.00 O ATOM 1812 CB VAL B 170 22.594 21.698 38.826 1.00 0.00 C ATOM 1813 CG1 VAL B 170 21.654 20.749 39.578 1.00 0.00 C ATOM 1814 CG2 VAL B 170 22.421 23.115 39.387 1.00 0.00 C ATOM 0 H VAL B 170 23.461 19.621 37.726 1.00 0.00 H new ATOM 0 HA VAL B 170 24.642 22.110 38.488 1.00 0.00 H new ATOM 0 HB VAL B 170 22.317 21.669 37.772 1.00 0.00 H new ATOM 0 HG11 VAL B 170 20.630 21.114 39.500 1.00 0.00 H new ATOM 0 HG12 VAL B 170 21.718 19.752 39.142 1.00 0.00 H new ATOM 0 HG13 VAL B 170 21.945 20.705 40.628 1.00 0.00 H new ATOM 0 HG21 VAL B 170 21.370 23.399 39.341 1.00 0.00 H new ATOM 0 HG22 VAL B 170 22.759 23.140 40.423 1.00 0.00 H new ATOM 0 HG23 VAL B 170 23.012 23.815 38.796 1.00 0.00 H new ATOM 1824 N LYS B 171 24.450 19.794 40.803 1.00 0.00 N ATOM 1825 CA LYS B 171 24.924 19.384 42.116 1.00 0.00 C ATOM 1826 C LYS B 171 24.341 20.291 43.212 1.00 0.00 C ATOM 1827 O LYS B 171 23.109 20.509 43.164 1.00 0.00 O ATOM 1828 CB LYS B 171 26.461 19.304 42.103 1.00 0.00 C ATOM 1829 CG LYS B 171 27.012 18.386 43.202 1.00 0.00 C ATOM 1830 CD LYS B 171 28.539 18.301 43.085 1.00 0.00 C ATOM 1831 CE LYS B 171 29.136 17.317 44.099 1.00 0.00 C ATOM 1832 NZ LYS B 171 28.890 17.740 45.489 1.00 0.00 N ATOM 1833 OXT LYS B 171 25.114 20.728 44.092 1.00 0.00 O ATOM 0 H LYS B 171 23.984 19.043 40.293 1.00 0.00 H new ATOM 0 HA LYS B 171 24.566 18.383 42.358 1.00 0.00 H new ATOM 0 HB2 LYS B 171 26.794 18.941 41.131 1.00 0.00 H new ATOM 0 HB3 LYS B 171 26.875 20.305 42.229 1.00 0.00 H new ATOM 0 HG2 LYS B 171 26.733 18.769 44.184 1.00 0.00 H new ATOM 0 HG3 LYS B 171 26.575 17.392 43.112 1.00 0.00 H new ATOM 0 HD2 LYS B 171 28.809 17.991 42.076 1.00 0.00 H new ATOM 0 HD3 LYS B 171 28.971 19.290 43.241 1.00 0.00 H new ATOM 0 HE2 LYS B 171 28.707 16.328 43.940 1.00 0.00 H new ATOM 0 HE3 LYS B 171 30.209 17.230 43.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 171 29.395 17.105 46.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 171 29.231 18.714 45.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 171 27.870 17.700 45.689 1.00 0.00 H new