USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 28 TYR OH : rot 180:sc= 0.974 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -112:sc= 1.11 (180deg=0) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 144:sc= 1.13 (180deg=-0.588!) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= 0.439 USER MOD Set 3.1: A 29 SER OG : rot -80:sc= 0.902 USER MOD Set 3.2: A 30 HIS : no HE2:sc= -1.05 K(o=-0.15,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= -0.0137 (180deg=-3.12!) USER MOD Single : A 14 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-3.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -125:sc= -1.14 (180deg=-3.03!) USER MOD Single : A 33 GLN : amide:sc= -1.93 K(o=-1.9,f=-8.8!) USER MOD Single : A 35 THR OG1 : rot -172:sc= 1.38 USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= 0.851 (180deg=-0.856!) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= -0.133 (180deg=-1.17) USER MOD Single : A 59 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 170:sc= 0.44 USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= 0.537 (180deg=0.328) USER MOD Single : A 70 MET CE :methyl 150:sc= 0 (180deg=-0.921) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 0.444 (180deg=-1.37!) USER MOD Single : A 73 TYR OH : rot -142:sc= -0.717 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.613) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= -2.72! (180deg=-2.94!) USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= 1.15 (180deg=-0.645) USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= 1.02 (180deg=-0.459) USER MOD Single : A 84 TYR OH : rot -164:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.494 6.932 10.749 1.00 0.41 N ATOM 32 CA ALA A 3 3.901 6.309 12.042 1.00 1.45 C ATOM 33 C ALA A 3 4.804 7.270 12.858 1.00 1.23 C ATOM 34 O ALA A 3 4.363 8.344 13.217 1.00 1.24 O ATOM 35 CB ALA A 3 4.599 5.002 11.654 1.00 2.52 C ATOM 0 HA ALA A 3 3.055 6.106 12.699 1.00 1.45 H new ATOM 0 HB1 ALA A 3 4.929 4.484 12.555 1.00 2.52 H new ATOM 0 HB2 ALA A 3 3.904 4.367 11.104 1.00 2.52 H new ATOM 0 HB3 ALA A 3 5.462 5.223 11.026 1.00 2.52 H new ATOM 41 N GLU A 4 6.028 6.872 13.128 1.00 1.09 N ATOM 42 CA GLU A 4 6.960 7.735 13.911 1.00 0.85 C ATOM 43 C GLU A 4 6.892 9.248 13.574 1.00 0.65 C ATOM 44 O GLU A 4 6.399 10.060 14.326 1.00 0.70 O ATOM 45 CB GLU A 4 8.419 7.082 13.713 1.00 0.92 C ATOM 46 CG GLU A 4 8.804 6.631 12.212 1.00 2.30 C ATOM 47 CD GLU A 4 10.263 6.132 12.016 1.00 2.29 C ATOM 48 OE1 GLU A 4 11.141 6.977 11.971 1.00 3.30 O ATOM 49 OE2 GLU A 4 10.489 4.938 11.905 1.00 1.65 O ATOM 0 H GLU A 4 6.420 5.977 12.834 1.00 1.09 H new ATOM 0 HA GLU A 4 6.671 7.745 14.962 1.00 0.85 H new ATOM 0 HB2 GLU A 4 9.164 7.800 14.056 1.00 0.92 H new ATOM 0 HB3 GLU A 4 8.494 6.210 14.362 1.00 0.92 H new ATOM 0 HG2 GLU A 4 8.123 5.838 11.904 1.00 2.30 H new ATOM 0 HG3 GLU A 4 8.634 7.475 11.543 1.00 2.30 H new ATOM 56 N PHE A 5 7.419 9.582 12.446 1.00 0.98 N ATOM 57 CA PHE A 5 7.430 11.005 11.970 1.00 0.76 C ATOM 58 C PHE A 5 6.152 11.755 12.280 1.00 0.73 C ATOM 59 O PHE A 5 6.203 12.762 12.942 1.00 0.64 O ATOM 60 CB PHE A 5 7.641 11.037 10.495 1.00 0.61 C ATOM 61 CG PHE A 5 7.689 12.509 10.035 1.00 0.40 C ATOM 62 CD1 PHE A 5 8.731 13.351 10.380 1.00 2.48 C ATOM 63 CD2 PHE A 5 6.678 13.006 9.260 1.00 2.24 C ATOM 64 CE1 PHE A 5 8.765 14.660 9.954 1.00 2.38 C ATOM 65 CE2 PHE A 5 6.702 14.307 8.833 1.00 2.32 C ATOM 66 CZ PHE A 5 7.744 15.146 9.172 1.00 0.08 C ATOM 0 H PHE A 5 7.858 8.921 11.806 1.00 0.98 H new ATOM 0 HA PHE A 5 8.242 11.498 12.505 1.00 0.76 H new ATOM 0 HB2 PHE A 5 8.570 10.529 10.235 1.00 0.61 H new ATOM 0 HB3 PHE A 5 6.835 10.508 9.986 1.00 0.61 H new ATOM 0 HD1 PHE A 5 9.534 12.974 10.996 1.00 2.48 H new ATOM 0 HD2 PHE A 5 5.853 12.367 8.982 1.00 2.24 H new ATOM 0 HE1 PHE A 5 9.589 15.301 10.232 1.00 2.38 H new ATOM 0 HE2 PHE A 5 5.894 14.682 8.222 1.00 2.32 H new ATOM 0 HZ PHE A 5 7.757 16.170 8.828 1.00 0.08 H new ATOM 76 N ASP A 6 5.055 11.277 11.779 1.00 0.83 N ATOM 77 CA ASP A 6 3.779 11.953 12.047 1.00 0.87 C ATOM 78 C ASP A 6 3.678 12.031 13.555 1.00 0.93 C ATOM 79 O ASP A 6 3.386 13.082 14.083 1.00 0.90 O ATOM 80 CB ASP A 6 2.828 11.077 11.260 1.00 1.14 C ATOM 81 CG ASP A 6 3.251 11.385 9.826 1.00 1.13 C ATOM 82 OD1 ASP A 6 2.770 12.362 9.289 1.00 1.53 O ATOM 83 OD2 ASP A 6 4.069 10.628 9.342 1.00 3.10 O ATOM 0 H ASP A 6 4.994 10.444 11.194 1.00 0.83 H new ATOM 0 HA ASP A 6 3.598 12.983 11.740 1.00 0.87 H new ATOM 0 HB2 ASP A 6 2.944 10.021 11.505 1.00 1.14 H new ATOM 0 HB3 ASP A 6 1.785 11.334 11.445 1.00 1.14 H new ATOM 88 N LYS A 7 3.916 10.955 14.246 1.00 0.95 N ATOM 89 CA LYS A 7 3.836 11.057 15.741 1.00 0.88 C ATOM 90 C LYS A 7 4.661 12.298 16.183 1.00 0.55 C ATOM 91 O LYS A 7 4.193 13.114 16.956 1.00 0.54 O ATOM 92 CB LYS A 7 4.421 9.773 16.395 1.00 0.99 C ATOM 93 CG LYS A 7 4.045 9.746 17.898 1.00 0.93 C ATOM 94 CD LYS A 7 2.520 9.482 17.968 1.00 1.48 C ATOM 95 CE LYS A 7 1.867 10.152 19.154 1.00 3.03 C ATOM 96 NZ LYS A 7 0.434 10.349 18.773 1.00 5.18 N ATOM 0 H LYS A 7 4.154 10.039 13.867 1.00 0.95 H new ATOM 0 HA LYS A 7 2.798 11.160 16.056 1.00 0.88 H new ATOM 0 HB2 LYS A 7 4.031 8.886 15.895 1.00 0.99 H new ATOM 0 HB3 LYS A 7 5.505 9.754 16.279 1.00 0.99 H new ATOM 0 HG2 LYS A 7 4.598 8.966 18.422 1.00 0.93 H new ATOM 0 HG3 LYS A 7 4.297 10.692 18.377 1.00 0.93 H new ATOM 0 HD2 LYS A 7 2.051 9.838 17.051 1.00 1.48 H new ATOM 0 HD3 LYS A 7 2.343 8.408 18.020 1.00 1.48 H new ATOM 0 HE2 LYS A 7 1.953 9.534 20.048 1.00 3.03 H new ATOM 0 HE3 LYS A 7 2.347 11.105 19.378 1.00 3.03 H new ATOM 0 HZ1 LYS A 7 0.236 11.366 18.680 1.00 5.18 H new ATOM 0 HZ2 LYS A 7 0.248 9.875 17.866 1.00 5.18 H new ATOM 0 HZ3 LYS A 7 -0.180 9.943 19.508 1.00 5.18 H new ATOM 110 N ALA A 8 5.862 12.412 15.665 1.00 0.43 N ATOM 111 CA ALA A 8 6.709 13.587 16.049 1.00 0.35 C ATOM 112 C ALA A 8 5.989 14.907 15.646 1.00 0.54 C ATOM 113 O ALA A 8 5.851 15.836 16.413 1.00 0.68 O ATOM 114 CB ALA A 8 8.084 13.379 15.344 1.00 0.31 C ATOM 0 H ALA A 8 6.285 11.758 15.007 1.00 0.43 H new ATOM 0 HA ALA A 8 6.871 13.664 17.124 1.00 0.35 H new ATOM 0 HB1 ALA A 8 8.747 14.209 15.588 1.00 0.31 H new ATOM 0 HB2 ALA A 8 8.530 12.445 15.686 1.00 0.31 H new ATOM 0 HB3 ALA A 8 7.937 13.337 14.265 1.00 0.31 H new ATOM 120 N ALA A 9 5.545 14.923 14.429 1.00 0.63 N ATOM 121 CA ALA A 9 4.819 16.069 13.815 1.00 0.88 C ATOM 122 C ALA A 9 3.717 16.475 14.796 1.00 0.87 C ATOM 123 O ALA A 9 3.556 17.654 15.060 1.00 1.04 O ATOM 124 CB ALA A 9 4.240 15.605 12.480 1.00 1.03 C ATOM 0 H ALA A 9 5.663 14.136 13.791 1.00 0.63 H new ATOM 0 HA ALA A 9 5.467 16.925 13.625 1.00 0.88 H new ATOM 0 HB1 ALA A 9 3.703 16.429 12.010 1.00 1.03 H new ATOM 0 HB2 ALA A 9 5.049 15.280 11.826 1.00 1.03 H new ATOM 0 HB3 ALA A 9 3.555 14.775 12.650 1.00 1.03 H new ATOM 130 N GLU A 10 3.009 15.482 15.297 1.00 0.83 N ATOM 131 CA GLU A 10 1.892 15.695 16.286 1.00 1.02 C ATOM 132 C GLU A 10 2.476 16.346 17.555 1.00 0.60 C ATOM 133 O GLU A 10 2.063 17.412 17.978 1.00 0.60 O ATOM 134 CB GLU A 10 1.239 14.351 16.772 1.00 1.50 C ATOM 135 CG GLU A 10 0.589 13.409 15.708 1.00 3.16 C ATOM 136 CD GLU A 10 0.121 12.105 16.404 1.00 3.47 C ATOM 137 OE1 GLU A 10 -0.599 12.236 17.380 1.00 3.81 O ATOM 138 OE2 GLU A 10 0.460 11.004 15.996 1.00 4.03 O ATOM 0 H GLU A 10 3.164 14.504 15.054 1.00 0.83 H new ATOM 0 HA GLU A 10 1.144 16.305 15.780 1.00 1.02 H new ATOM 0 HB2 GLU A 10 2.006 13.780 17.295 1.00 1.50 H new ATOM 0 HB3 GLU A 10 0.472 14.601 17.505 1.00 1.50 H new ATOM 0 HG2 GLU A 10 -0.257 13.906 15.232 1.00 3.16 H new ATOM 0 HG3 GLU A 10 1.307 13.178 14.921 1.00 3.16 H new ATOM 145 N GLU A 11 3.443 15.654 18.109 1.00 0.49 N ATOM 146 CA GLU A 11 4.140 16.098 19.350 1.00 0.65 C ATOM 147 C GLU A 11 4.589 17.567 19.261 1.00 0.52 C ATOM 148 O GLU A 11 4.185 18.383 20.068 1.00 0.48 O ATOM 149 CB GLU A 11 5.327 15.108 19.538 1.00 1.00 C ATOM 150 CG GLU A 11 4.926 13.944 20.526 1.00 1.43 C ATOM 151 CD GLU A 11 5.771 12.662 20.386 1.00 1.44 C ATOM 152 OE1 GLU A 11 6.486 12.510 19.406 1.00 1.50 O ATOM 153 OE2 GLU A 11 5.633 11.874 21.310 1.00 1.63 O ATOM 0 H GLU A 11 3.786 14.769 17.735 1.00 0.49 H new ATOM 0 HA GLU A 11 3.479 16.074 20.217 1.00 0.65 H new ATOM 0 HB2 GLU A 11 5.616 14.691 18.573 1.00 1.00 H new ATOM 0 HB3 GLU A 11 6.194 15.641 19.928 1.00 1.00 H new ATOM 0 HG2 GLU A 11 5.011 14.309 21.550 1.00 1.43 H new ATOM 0 HG3 GLU A 11 3.878 13.692 20.363 1.00 1.43 H new ATOM 160 N VAL A 12 5.392 17.840 18.262 1.00 0.67 N ATOM 161 CA VAL A 12 5.932 19.213 18.024 1.00 0.95 C ATOM 162 C VAL A 12 4.748 20.154 17.854 1.00 1.19 C ATOM 163 O VAL A 12 4.605 21.091 18.613 1.00 1.47 O ATOM 164 CB VAL A 12 6.888 19.125 16.775 1.00 0.91 C ATOM 165 CG1 VAL A 12 6.396 19.799 15.476 1.00 1.01 C ATOM 166 CG2 VAL A 12 8.229 19.745 17.156 1.00 0.99 C ATOM 0 H VAL A 12 5.704 17.146 17.582 1.00 0.67 H new ATOM 0 HA VAL A 12 6.523 19.608 18.851 1.00 0.95 H new ATOM 0 HB VAL A 12 6.943 18.063 16.537 1.00 0.91 H new ATOM 0 HG11 VAL A 12 7.143 19.668 14.693 1.00 1.01 H new ATOM 0 HG12 VAL A 12 5.457 19.343 15.162 1.00 1.01 H new ATOM 0 HG13 VAL A 12 6.240 20.863 15.655 1.00 1.01 H new ATOM 0 HG21 VAL A 12 8.908 19.695 16.305 1.00 0.99 H new ATOM 0 HG22 VAL A 12 8.080 20.787 17.441 1.00 0.99 H new ATOM 0 HG23 VAL A 12 8.658 19.197 17.995 1.00 0.99 H new ATOM 176 N LYS A 13 3.925 19.899 16.868 1.00 1.28 N ATOM 177 CA LYS A 13 2.722 20.756 16.632 1.00 1.84 C ATOM 178 C LYS A 13 1.952 21.040 17.927 1.00 1.75 C ATOM 179 O LYS A 13 1.226 22.009 18.006 1.00 1.73 O ATOM 180 CB LYS A 13 1.821 20.044 15.608 1.00 2.16 C ATOM 181 CG LYS A 13 2.416 20.221 14.200 1.00 2.83 C ATOM 182 CD LYS A 13 1.550 19.376 13.229 1.00 3.68 C ATOM 183 CE LYS A 13 1.807 19.755 11.768 1.00 6.15 C ATOM 184 NZ LYS A 13 3.226 19.446 11.457 1.00 8.27 N ATOM 0 H LYS A 13 4.036 19.127 16.211 1.00 1.28 H new ATOM 0 HA LYS A 13 3.045 21.724 16.249 1.00 1.84 H new ATOM 0 HB2 LYS A 13 1.741 18.985 15.851 1.00 2.16 H new ATOM 0 HB3 LYS A 13 0.813 20.457 15.644 1.00 2.16 H new ATOM 0 HG2 LYS A 13 2.409 21.271 13.908 1.00 2.83 H new ATOM 0 HG3 LYS A 13 3.455 19.891 14.176 1.00 2.83 H new ATOM 0 HD2 LYS A 13 1.767 18.318 13.374 1.00 3.68 H new ATOM 0 HD3 LYS A 13 0.495 19.520 13.463 1.00 3.68 H new ATOM 0 HE2 LYS A 13 1.142 19.199 11.107 1.00 6.15 H new ATOM 0 HE3 LYS A 13 1.603 20.814 11.607 1.00 6.15 H new ATOM 0 HZ1 LYS A 13 3.300 19.103 10.478 1.00 8.27 H new ATOM 0 HZ2 LYS A 13 3.801 20.306 11.567 1.00 8.27 H new ATOM 0 HZ3 LYS A 13 3.572 18.713 12.108 1.00 8.27 H new ATOM 198 N HIS A 14 2.142 20.172 18.882 1.00 1.72 N ATOM 199 CA HIS A 14 1.462 20.318 20.203 1.00 1.64 C ATOM 200 C HIS A 14 2.430 20.459 21.428 1.00 1.54 C ATOM 201 O HIS A 14 2.052 20.125 22.532 1.00 1.45 O ATOM 202 CB HIS A 14 0.478 19.069 20.232 1.00 1.66 C ATOM 203 CG HIS A 14 0.514 18.184 21.481 1.00 1.91 C ATOM 204 ND1 HIS A 14 1.573 17.628 21.959 1.00 3.35 N ATOM 205 CD2 HIS A 14 -0.496 17.785 22.334 1.00 3.21 C ATOM 206 CE1 HIS A 14 1.270 16.939 23.015 1.00 5.42 C ATOM 207 NE2 HIS A 14 -0.011 17.009 23.283 1.00 5.26 N ATOM 0 H HIS A 14 2.748 19.355 18.803 1.00 1.72 H new ATOM 0 HA HIS A 14 0.923 21.260 20.304 1.00 1.64 H new ATOM 0 HB2 HIS A 14 -0.540 19.437 20.107 1.00 1.66 H new ATOM 0 HB3 HIS A 14 0.699 18.443 19.367 1.00 1.66 H new ATOM 0 HD1 HIS A 14 2.510 17.716 21.566 1.00 3.35 H new ATOM 0 HD2 HIS A 14 -1.534 18.068 22.238 1.00 3.21 H new ATOM 0 HE1 HIS A 14 1.984 16.378 23.600 1.00 5.42 H new ATOM 215 N LEU A 15 3.639 20.954 21.265 1.00 1.71 N ATOM 216 CA LEU A 15 4.514 21.069 22.489 1.00 1.92 C ATOM 217 C LEU A 15 3.968 22.184 23.390 1.00 2.45 C ATOM 218 O LEU A 15 3.502 23.203 22.916 1.00 2.70 O ATOM 219 CB LEU A 15 5.956 21.448 22.113 1.00 2.21 C ATOM 220 CG LEU A 15 6.625 20.324 21.342 1.00 1.97 C ATOM 221 CD1 LEU A 15 7.961 20.861 20.811 1.00 2.44 C ATOM 222 CD2 LEU A 15 6.926 19.125 22.251 1.00 2.04 C ATOM 0 H LEU A 15 4.046 21.270 20.385 1.00 1.71 H new ATOM 0 HA LEU A 15 4.512 20.103 22.993 1.00 1.92 H new ATOM 0 HB2 LEU A 15 5.953 22.357 21.511 1.00 2.21 H new ATOM 0 HB3 LEU A 15 6.527 21.666 23.016 1.00 2.21 H new ATOM 0 HG LEU A 15 5.961 19.996 20.542 1.00 1.97 H new ATOM 0 HD11 LEU A 15 8.471 20.078 20.250 1.00 2.44 H new ATOM 0 HD12 LEU A 15 7.777 21.714 20.158 1.00 2.44 H new ATOM 0 HD13 LEU A 15 8.586 21.173 21.648 1.00 2.44 H new ATOM 0 HD21 LEU A 15 7.405 18.338 21.668 1.00 2.04 H new ATOM 0 HD22 LEU A 15 7.592 19.437 23.056 1.00 2.04 H new ATOM 0 HD23 LEU A 15 5.996 18.748 22.675 1.00 2.04 H new ATOM 234 N LYS A 16 4.046 21.980 24.678 1.00 2.70 N ATOM 235 CA LYS A 16 3.529 23.030 25.628 1.00 3.31 C ATOM 236 C LYS A 16 4.686 23.923 26.147 1.00 2.14 C ATOM 237 O LYS A 16 4.461 24.946 26.769 1.00 2.01 O ATOM 238 CB LYS A 16 2.795 22.281 26.779 1.00 4.45 C ATOM 239 CG LYS A 16 2.211 23.229 27.864 1.00 5.02 C ATOM 240 CD LYS A 16 1.939 22.346 29.106 1.00 3.57 C ATOM 241 CE LYS A 16 1.538 23.193 30.308 1.00 3.45 C ATOM 242 NZ LYS A 16 1.501 22.261 31.480 1.00 3.44 N ATOM 0 H LYS A 16 4.438 21.147 25.117 1.00 2.70 H new ATOM 0 HA LYS A 16 2.835 23.706 25.129 1.00 3.31 H new ATOM 0 HB2 LYS A 16 1.987 21.685 26.356 1.00 4.45 H new ATOM 0 HB3 LYS A 16 3.490 21.587 27.251 1.00 4.45 H new ATOM 0 HG2 LYS A 16 2.913 24.029 28.101 1.00 5.02 H new ATOM 0 HG3 LYS A 16 1.294 23.703 27.514 1.00 5.02 H new ATOM 0 HD2 LYS A 16 1.147 21.632 28.881 1.00 3.57 H new ATOM 0 HD3 LYS A 16 2.831 21.768 29.347 1.00 3.57 H new ATOM 0 HE2 LYS A 16 2.254 23.998 30.473 1.00 3.45 H new ATOM 0 HE3 LYS A 16 0.565 23.658 30.150 1.00 3.45 H new ATOM 0 HZ1 LYS A 16 1.231 22.789 32.335 1.00 3.44 H new ATOM 0 HZ2 LYS A 16 0.805 21.508 31.303 1.00 3.44 H new ATOM 0 HZ3 LYS A 16 2.441 21.838 31.617 1.00 3.44 H new ATOM 256 N THR A 17 5.900 23.530 25.880 1.00 1.47 N ATOM 257 CA THR A 17 7.077 24.345 26.356 1.00 0.59 C ATOM 258 C THR A 17 7.668 25.114 25.192 1.00 1.04 C ATOM 259 O THR A 17 7.311 24.915 24.049 1.00 1.66 O ATOM 260 CB THR A 17 8.140 23.424 26.939 1.00 1.29 C ATOM 261 OG1 THR A 17 7.488 22.759 27.997 1.00 2.19 O ATOM 262 CG2 THR A 17 9.236 24.108 27.714 1.00 2.07 C ATOM 0 H THR A 17 6.138 22.687 25.357 1.00 1.47 H new ATOM 0 HA THR A 17 6.740 25.043 27.123 1.00 0.59 H new ATOM 0 HB THR A 17 8.553 22.865 26.099 1.00 1.29 H new ATOM 0 HG1 THR A 17 8.113 22.139 28.428 1.00 2.19 H new ATOM 0 HG21 THR A 17 9.939 23.362 28.085 1.00 2.07 H new ATOM 0 HG22 THR A 17 9.760 24.808 27.063 1.00 2.07 H new ATOM 0 HG23 THR A 17 8.803 24.649 28.555 1.00 2.07 H new ATOM 270 N LYS A 18 8.578 25.984 25.502 1.00 1.60 N ATOM 271 CA LYS A 18 9.229 26.809 24.448 1.00 2.49 C ATOM 272 C LYS A 18 10.599 26.233 24.039 1.00 2.30 C ATOM 273 O LYS A 18 11.525 26.314 24.825 1.00 2.44 O ATOM 274 CB LYS A 18 9.370 28.250 24.999 1.00 3.39 C ATOM 275 CG LYS A 18 7.959 28.807 25.339 1.00 3.26 C ATOM 276 CD LYS A 18 8.059 30.280 25.835 1.00 4.27 C ATOM 277 CE LYS A 18 8.485 31.221 24.694 1.00 2.90 C ATOM 278 NZ LYS A 18 8.562 32.613 25.243 1.00 3.41 N ATOM 0 H LYS A 18 8.905 26.164 26.451 1.00 1.60 H new ATOM 0 HA LYS A 18 8.616 26.807 23.546 1.00 2.49 H new ATOM 0 HB2 LYS A 18 9.999 28.252 25.889 1.00 3.39 H new ATOM 0 HB3 LYS A 18 9.858 28.888 24.262 1.00 3.39 H new ATOM 0 HG2 LYS A 18 7.320 28.756 24.458 1.00 3.26 H new ATOM 0 HG3 LYS A 18 7.493 28.189 26.107 1.00 3.26 H new ATOM 0 HD2 LYS A 18 7.096 30.599 26.233 1.00 4.27 H new ATOM 0 HD3 LYS A 18 8.779 30.344 26.651 1.00 4.27 H new ATOM 0 HE2 LYS A 18 9.451 30.917 24.290 1.00 2.90 H new ATOM 0 HE3 LYS A 18 7.768 31.174 23.874 1.00 2.90 H new ATOM 0 HZ1 LYS A 18 8.849 33.268 24.488 1.00 3.41 H new ATOM 0 HZ2 LYS A 18 7.630 32.894 25.610 1.00 3.41 H new ATOM 0 HZ3 LYS A 18 9.261 32.644 26.013 1.00 3.41 H new ATOM 292 N PRO A 19 10.733 25.644 22.872 1.00 2.14 N ATOM 293 CA PRO A 19 12.052 25.081 22.438 1.00 1.95 C ATOM 294 C PRO A 19 12.986 26.207 21.920 1.00 1.83 C ATOM 295 O PRO A 19 12.620 27.369 21.903 1.00 2.34 O ATOM 296 CB PRO A 19 11.701 24.054 21.345 1.00 1.93 C ATOM 297 CG PRO A 19 10.141 23.955 21.433 1.00 2.29 C ATOM 298 CD PRO A 19 9.693 25.374 21.845 1.00 2.27 C ATOM 0 HA PRO A 19 12.600 24.610 23.254 1.00 1.95 H new ATOM 0 HB2 PRO A 19 12.028 24.387 20.360 1.00 1.93 H new ATOM 0 HB3 PRO A 19 12.176 23.091 21.530 1.00 1.93 H new ATOM 0 HG2 PRO A 19 9.706 23.662 20.477 1.00 2.29 H new ATOM 0 HG3 PRO A 19 9.830 23.211 22.166 1.00 2.29 H new ATOM 0 HD2 PRO A 19 9.721 26.083 21.018 1.00 2.27 H new ATOM 0 HD3 PRO A 19 8.682 25.397 22.251 1.00 2.27 H new ATOM 306 N ALA A 20 14.169 25.830 21.507 1.00 1.29 N ATOM 307 CA ALA A 20 15.157 26.835 20.980 1.00 1.33 C ATOM 308 C ALA A 20 15.211 26.956 19.417 1.00 1.24 C ATOM 309 O ALA A 20 14.836 26.053 18.683 1.00 1.07 O ATOM 310 CB ALA A 20 16.518 26.424 21.561 1.00 1.34 C ATOM 0 H ALA A 20 14.500 24.865 21.510 1.00 1.29 H new ATOM 0 HA ALA A 20 14.850 27.833 21.292 1.00 1.33 H new ATOM 0 HB1 ALA A 20 17.285 27.117 21.216 1.00 1.34 H new ATOM 0 HB2 ALA A 20 16.471 26.448 22.650 1.00 1.34 H new ATOM 0 HB3 ALA A 20 16.765 25.415 21.231 1.00 1.34 H new ATOM 316 N ASP A 21 15.688 28.089 18.960 1.00 1.39 N ATOM 317 CA ASP A 21 15.815 28.380 17.499 1.00 1.35 C ATOM 318 C ASP A 21 16.304 27.165 16.699 1.00 1.30 C ATOM 319 O ASP A 21 15.586 26.666 15.864 1.00 1.22 O ATOM 320 CB ASP A 21 16.763 29.577 17.378 1.00 1.41 C ATOM 321 CG ASP A 21 17.995 29.387 18.264 1.00 3.21 C ATOM 322 OD1 ASP A 21 17.829 29.619 19.452 1.00 3.96 O ATOM 323 OD2 ASP A 21 19.015 29.022 17.712 1.00 4.44 O ATOM 0 H ASP A 21 16.005 28.849 19.562 1.00 1.39 H new ATOM 0 HA ASP A 21 14.841 28.614 17.069 1.00 1.35 H new ATOM 0 HB2 ASP A 21 17.072 29.698 16.340 1.00 1.41 H new ATOM 0 HB3 ASP A 21 16.241 30.490 17.664 1.00 1.41 H new ATOM 328 N GLU A 22 17.505 26.724 16.949 1.00 1.32 N ATOM 329 CA GLU A 22 18.045 25.532 16.223 1.00 1.24 C ATOM 330 C GLU A 22 17.066 24.353 16.185 1.00 1.06 C ATOM 331 O GLU A 22 16.869 23.766 15.140 1.00 0.72 O ATOM 332 CB GLU A 22 19.373 25.140 16.915 1.00 1.25 C ATOM 333 CG GLU A 22 20.545 25.959 16.299 1.00 1.69 C ATOM 334 CD GLU A 22 20.802 25.510 14.858 1.00 2.76 C ATOM 335 OE1 GLU A 22 21.009 24.317 14.705 1.00 4.41 O ATOM 336 OE2 GLU A 22 20.777 26.369 13.995 1.00 2.75 O ATOM 0 H GLU A 22 18.143 27.138 17.629 1.00 1.32 H new ATOM 0 HA GLU A 22 18.208 25.792 15.177 1.00 1.24 H new ATOM 0 HB2 GLU A 22 19.307 25.331 17.986 1.00 1.25 H new ATOM 0 HB3 GLU A 22 19.558 24.073 16.792 1.00 1.25 H new ATOM 0 HG2 GLU A 22 20.306 27.022 16.319 1.00 1.69 H new ATOM 0 HG3 GLU A 22 21.447 25.824 16.896 1.00 1.69 H new ATOM 343 N GLU A 23 16.450 24.022 17.294 1.00 1.28 N ATOM 344 CA GLU A 23 15.480 22.882 17.320 1.00 1.12 C ATOM 345 C GLU A 23 14.326 23.269 16.360 1.00 1.08 C ATOM 346 O GLU A 23 13.984 22.517 15.469 1.00 0.99 O ATOM 347 CB GLU A 23 14.979 22.705 18.793 1.00 0.95 C ATOM 348 CG GLU A 23 16.202 22.528 19.774 1.00 0.99 C ATOM 349 CD GLU A 23 15.763 22.188 21.207 1.00 0.68 C ATOM 350 OE1 GLU A 23 15.146 23.064 21.799 1.00 2.24 O ATOM 351 OE2 GLU A 23 16.072 21.078 21.620 1.00 2.21 O ATOM 0 H GLU A 23 16.578 24.496 18.188 1.00 1.28 H new ATOM 0 HA GLU A 23 15.918 21.937 17.000 1.00 1.12 H new ATOM 0 HB2 GLU A 23 14.390 23.572 19.090 1.00 0.95 H new ATOM 0 HB3 GLU A 23 14.324 21.837 18.859 1.00 0.95 H new ATOM 0 HG2 GLU A 23 16.852 21.738 19.400 1.00 0.99 H new ATOM 0 HG3 GLU A 23 16.790 23.446 19.786 1.00 0.99 H new ATOM 358 N MET A 24 13.770 24.437 16.584 1.00 1.15 N ATOM 359 CA MET A 24 12.643 24.936 15.716 1.00 1.13 C ATOM 360 C MET A 24 13.060 24.839 14.227 1.00 1.00 C ATOM 361 O MET A 24 12.324 24.307 13.422 1.00 0.90 O ATOM 362 CB MET A 24 12.307 26.414 16.083 1.00 1.24 C ATOM 363 CG MET A 24 11.705 26.500 17.504 1.00 1.23 C ATOM 364 SD MET A 24 10.925 28.081 17.935 1.00 1.35 S ATOM 365 CE MET A 24 11.939 28.606 19.343 1.00 4.68 C ATOM 0 H MET A 24 14.046 25.072 17.333 1.00 1.15 H new ATOM 0 HA MET A 24 11.757 24.323 15.882 1.00 1.13 H new ATOM 0 HB2 MET A 24 13.210 27.022 16.028 1.00 1.24 H new ATOM 0 HB3 MET A 24 11.602 26.823 15.359 1.00 1.24 H new ATOM 0 HG2 MET A 24 10.963 25.709 17.613 1.00 1.23 H new ATOM 0 HG3 MET A 24 12.496 26.297 18.226 1.00 1.23 H new ATOM 0 HE1 MET A 24 11.296 28.800 20.202 1.00 4.68 H new ATOM 0 HE2 MET A 24 12.650 27.819 19.593 1.00 4.68 H new ATOM 0 HE3 MET A 24 12.481 29.515 19.082 1.00 4.68 H new ATOM 375 N LEU A 25 14.219 25.364 13.912 1.00 0.96 N ATOM 376 CA LEU A 25 14.812 25.369 12.554 1.00 0.84 C ATOM 377 C LEU A 25 14.982 23.953 12.016 1.00 0.62 C ATOM 378 O LEU A 25 14.536 23.643 10.932 1.00 0.42 O ATOM 379 CB LEU A 25 16.152 26.116 12.697 1.00 1.02 C ATOM 380 CG LEU A 25 15.928 27.594 12.423 1.00 1.19 C ATOM 381 CD1 LEU A 25 17.120 28.394 12.918 1.00 1.24 C ATOM 382 CD2 LEU A 25 15.921 27.732 10.903 1.00 1.50 C ATOM 0 H LEU A 25 14.813 25.821 14.603 1.00 0.96 H new ATOM 0 HA LEU A 25 14.168 25.865 11.827 1.00 0.84 H new ATOM 0 HB2 LEU A 25 16.555 25.976 13.700 1.00 1.02 H new ATOM 0 HB3 LEU A 25 16.885 25.711 11.999 1.00 1.02 H new ATOM 0 HG LEU A 25 15.015 27.944 12.905 1.00 1.19 H new ATOM 0 HD11 LEU A 25 16.955 29.453 12.720 1.00 1.24 H new ATOM 0 HD12 LEU A 25 17.241 28.240 13.990 1.00 1.24 H new ATOM 0 HD13 LEU A 25 18.020 28.064 12.400 1.00 1.24 H new ATOM 0 HD21 LEU A 25 15.763 28.776 10.633 1.00 1.50 H new ATOM 0 HD22 LEU A 25 16.877 27.394 10.503 1.00 1.50 H new ATOM 0 HD23 LEU A 25 15.118 27.124 10.486 1.00 1.50 H new ATOM 394 N PHE A 26 15.606 23.141 12.829 1.00 0.71 N ATOM 395 CA PHE A 26 15.899 21.707 12.523 1.00 0.63 C ATOM 396 C PHE A 26 14.548 21.116 12.135 1.00 0.52 C ATOM 397 O PHE A 26 14.368 20.561 11.071 1.00 0.37 O ATOM 398 CB PHE A 26 16.494 21.112 13.816 1.00 0.60 C ATOM 399 CG PHE A 26 17.037 19.689 13.649 1.00 0.59 C ATOM 400 CD1 PHE A 26 16.220 18.593 13.812 1.00 2.09 C ATOM 401 CD2 PHE A 26 18.365 19.487 13.337 1.00 2.76 C ATOM 402 CE1 PHE A 26 16.721 17.316 13.666 1.00 2.22 C ATOM 403 CE2 PHE A 26 18.870 18.215 13.191 1.00 2.73 C ATOM 404 CZ PHE A 26 18.048 17.123 13.356 1.00 0.84 C ATOM 0 H PHE A 26 15.943 23.433 13.746 1.00 0.71 H new ATOM 0 HA PHE A 26 16.610 21.517 11.718 1.00 0.63 H new ATOM 0 HB2 PHE A 26 17.298 21.759 14.166 1.00 0.60 H new ATOM 0 HB3 PHE A 26 15.727 21.110 14.590 1.00 0.60 H new ATOM 0 HD1 PHE A 26 15.178 18.734 14.056 1.00 2.09 H new ATOM 0 HD2 PHE A 26 19.017 20.338 13.206 1.00 2.76 H new ATOM 0 HE1 PHE A 26 16.069 16.464 13.795 1.00 2.22 H new ATOM 0 HE2 PHE A 26 19.912 18.073 12.947 1.00 2.73 H new ATOM 0 HZ PHE A 26 18.441 16.123 13.243 1.00 0.84 H new ATOM 414 N ILE A 27 13.621 21.280 13.041 1.00 0.61 N ATOM 415 CA ILE A 27 12.231 20.774 12.823 1.00 0.55 C ATOM 416 C ILE A 27 11.768 21.437 11.528 1.00 0.46 C ATOM 417 O ILE A 27 11.844 20.806 10.507 1.00 0.30 O ATOM 418 CB ILE A 27 11.366 21.194 14.044 1.00 0.69 C ATOM 419 CG1 ILE A 27 11.762 20.388 15.320 1.00 1.07 C ATOM 420 CG2 ILE A 27 9.847 21.059 13.755 1.00 0.79 C ATOM 421 CD1 ILE A 27 11.623 18.855 15.115 1.00 1.24 C ATOM 0 H ILE A 27 13.768 21.749 13.935 1.00 0.61 H new ATOM 0 HA ILE A 27 12.158 19.690 12.736 1.00 0.55 H new ATOM 0 HB ILE A 27 11.569 22.249 14.230 1.00 0.69 H new ATOM 0 HG12 ILE A 27 12.791 20.624 15.592 1.00 1.07 H new ATOM 0 HG13 ILE A 27 11.133 20.699 16.154 1.00 1.07 H new ATOM 0 HG21 ILE A 27 9.281 21.363 14.635 1.00 0.79 H new ATOM 0 HG22 ILE A 27 9.579 21.697 12.913 1.00 0.79 H new ATOM 0 HG23 ILE A 27 9.613 20.022 13.514 1.00 0.79 H new ATOM 0 HD11 ILE A 27 11.910 18.338 16.031 1.00 1.24 H new ATOM 0 HD12 ILE A 27 10.589 18.613 14.870 1.00 1.24 H new ATOM 0 HD13 ILE A 27 12.273 18.537 14.300 1.00 1.24 H new ATOM 433 N TYR A 28 11.292 22.650 11.588 1.00 0.58 N ATOM 434 CA TYR A 28 10.830 23.382 10.365 1.00 0.57 C ATOM 435 C TYR A 28 11.420 22.832 9.045 1.00 0.35 C ATOM 436 O TYR A 28 10.715 22.359 8.178 1.00 0.42 O ATOM 437 CB TYR A 28 11.203 24.863 10.476 1.00 0.74 C ATOM 438 CG TYR A 28 10.325 25.552 9.414 1.00 0.83 C ATOM 439 CD1 TYR A 28 9.001 25.817 9.707 1.00 2.81 C ATOM 440 CD2 TYR A 28 10.817 25.885 8.164 1.00 2.24 C ATOM 441 CE1 TYR A 28 8.179 26.401 8.771 1.00 3.13 C ATOM 442 CE2 TYR A 28 9.986 26.473 7.222 1.00 2.01 C ATOM 443 CZ TYR A 28 8.659 26.731 7.529 1.00 1.30 C ATOM 444 OH TYR A 28 7.782 27.300 6.628 1.00 1.63 O ATOM 0 H TYR A 28 11.200 23.181 12.454 1.00 0.58 H new ATOM 0 HA TYR A 28 9.750 23.240 10.324 1.00 0.57 H new ATOM 0 HB2 TYR A 28 11.000 25.251 11.474 1.00 0.74 H new ATOM 0 HB3 TYR A 28 12.263 25.023 10.281 1.00 0.74 H new ATOM 0 HD1 TYR A 28 8.608 25.563 10.680 1.00 2.81 H new ATOM 0 HD2 TYR A 28 11.851 25.687 7.921 1.00 2.24 H new ATOM 0 HE1 TYR A 28 7.146 26.601 9.016 1.00 3.13 H new ATOM 0 HE2 TYR A 28 10.374 26.730 6.247 1.00 2.01 H new ATOM 0 HH TYR A 28 8.251 27.486 5.788 1.00 1.63 H new ATOM 454 N SER A 29 12.718 22.885 8.942 1.00 0.21 N ATOM 455 CA SER A 29 13.452 22.405 7.735 1.00 0.14 C ATOM 456 C SER A 29 13.129 20.934 7.419 1.00 0.20 C ATOM 457 O SER A 29 12.599 20.605 6.375 1.00 0.38 O ATOM 458 CB SER A 29 14.962 22.634 8.044 1.00 0.21 C ATOM 459 OG SER A 29 15.226 21.795 9.168 1.00 0.28 O ATOM 0 H SER A 29 13.324 23.256 9.674 1.00 0.21 H new ATOM 0 HA SER A 29 13.153 22.949 6.839 1.00 0.14 H new ATOM 0 HB2 SER A 29 15.587 22.365 7.192 1.00 0.21 H new ATOM 0 HB3 SER A 29 15.167 23.680 8.272 1.00 0.21 H new ATOM 0 HG SER A 29 14.915 22.237 9.986 1.00 0.28 H new ATOM 465 N HIS A 30 13.461 20.093 8.354 1.00 0.14 N ATOM 466 CA HIS A 30 13.228 18.628 8.232 1.00 0.18 C ATOM 467 C HIS A 30 11.729 18.314 8.045 1.00 0.26 C ATOM 468 O HIS A 30 11.362 17.418 7.319 1.00 0.34 O ATOM 469 CB HIS A 30 13.793 17.979 9.509 1.00 0.16 C ATOM 470 CG HIS A 30 15.317 18.097 9.575 1.00 0.14 C ATOM 471 ND1 HIS A 30 16.004 19.190 9.619 1.00 0.23 N ATOM 472 CD2 HIS A 30 16.267 17.098 9.605 1.00 0.14 C ATOM 473 CE1 HIS A 30 17.272 18.913 9.671 1.00 0.24 C ATOM 474 NE2 HIS A 30 17.478 17.620 9.665 1.00 0.19 N ATOM 0 H HIS A 30 13.901 20.371 9.231 1.00 0.14 H new ATOM 0 HA HIS A 30 13.728 18.227 7.350 1.00 0.18 H new ATOM 0 HB2 HIS A 30 13.353 18.455 10.385 1.00 0.16 H new ATOM 0 HB3 HIS A 30 13.507 16.928 9.540 1.00 0.16 H new ATOM 0 HD1 HIS A 30 15.609 20.131 9.614 1.00 0.23 H new ATOM 0 HD2 HIS A 30 16.051 16.040 9.583 1.00 0.14 H new ATOM 0 HE1 HIS A 30 18.056 19.654 9.714 1.00 0.24 H new ATOM 482 N TYR A 31 10.878 19.057 8.686 1.00 0.30 N ATOM 483 CA TYR A 31 9.414 18.814 8.557 1.00 0.38 C ATOM 484 C TYR A 31 9.029 19.124 7.114 1.00 0.49 C ATOM 485 O TYR A 31 8.345 18.349 6.463 1.00 0.49 O ATOM 486 CB TYR A 31 8.632 19.741 9.487 1.00 0.37 C ATOM 487 CG TYR A 31 7.174 19.297 9.368 1.00 0.31 C ATOM 488 CD1 TYR A 31 6.715 18.232 10.116 1.00 2.38 C ATOM 489 CD2 TYR A 31 6.306 19.931 8.495 1.00 2.40 C ATOM 490 CE1 TYR A 31 5.421 17.811 9.994 1.00 2.47 C ATOM 491 CE2 TYR A 31 4.999 19.492 8.385 1.00 2.28 C ATOM 492 CZ TYR A 31 4.566 18.434 9.138 1.00 0.27 C ATOM 493 OH TYR A 31 3.271 17.979 9.079 1.00 0.45 O ATOM 0 H TYR A 31 11.133 19.830 9.300 1.00 0.30 H new ATOM 0 HA TYR A 31 9.182 17.783 8.823 1.00 0.38 H new ATOM 0 HB2 TYR A 31 8.986 19.657 10.514 1.00 0.37 H new ATOM 0 HB3 TYR A 31 8.751 20.784 9.193 1.00 0.37 H new ATOM 0 HD1 TYR A 31 7.382 17.729 10.801 1.00 2.38 H new ATOM 0 HD2 TYR A 31 6.649 20.766 7.902 1.00 2.40 H new ATOM 0 HE1 TYR A 31 5.073 16.975 10.583 1.00 2.47 H new ATOM 0 HE2 TYR A 31 4.320 19.984 7.705 1.00 2.28 H new ATOM 0 HH TYR A 31 2.766 18.512 8.429 1.00 0.45 H new ATOM 503 N LYS A 32 9.490 20.261 6.661 1.00 0.58 N ATOM 504 CA LYS A 32 9.168 20.649 5.257 1.00 0.73 C ATOM 505 C LYS A 32 9.738 19.583 4.341 1.00 0.80 C ATOM 506 O LYS A 32 8.976 19.011 3.588 1.00 0.87 O ATOM 507 CB LYS A 32 9.777 22.013 4.948 1.00 0.68 C ATOM 508 CG LYS A 32 9.101 23.127 5.721 1.00 0.69 C ATOM 509 CD LYS A 32 7.623 23.268 5.253 1.00 1.07 C ATOM 510 CE LYS A 32 6.912 24.199 6.212 1.00 1.43 C ATOM 511 NZ LYS A 32 6.318 25.325 5.435 1.00 2.56 N ATOM 0 H LYS A 32 10.061 20.922 7.187 1.00 0.58 H new ATOM 0 HA LYS A 32 8.090 20.724 5.111 1.00 0.73 H new ATOM 0 HB2 LYS A 32 10.840 21.998 5.189 1.00 0.68 H new ATOM 0 HB3 LYS A 32 9.695 22.212 3.879 1.00 0.68 H new ATOM 0 HG2 LYS A 32 9.136 22.914 6.789 1.00 0.69 H new ATOM 0 HG3 LYS A 32 9.633 24.066 5.565 1.00 0.69 H new ATOM 0 HD2 LYS A 32 7.581 23.663 4.238 1.00 1.07 H new ATOM 0 HD3 LYS A 32 7.135 22.294 5.236 1.00 1.07 H new ATOM 0 HE2 LYS A 32 6.133 23.661 6.753 1.00 1.43 H new ATOM 0 HE3 LYS A 32 7.611 24.581 6.956 1.00 1.43 H new ATOM 0 HZ1 LYS A 32 6.814 26.208 5.670 1.00 2.56 H new ATOM 0 HZ2 LYS A 32 6.415 25.134 4.417 1.00 2.56 H new ATOM 0 HZ3 LYS A 32 5.311 25.419 5.675 1.00 2.56 H new ATOM 525 N GLN A 33 11.018 19.324 4.419 1.00 0.78 N ATOM 526 CA GLN A 33 11.609 18.267 3.529 1.00 0.79 C ATOM 527 C GLN A 33 10.822 16.934 3.636 1.00 0.86 C ATOM 528 O GLN A 33 10.559 16.307 2.630 1.00 1.03 O ATOM 529 CB GLN A 33 13.111 18.096 3.940 1.00 0.77 C ATOM 530 CG GLN A 33 13.980 17.544 2.769 1.00 0.66 C ATOM 531 CD GLN A 33 13.732 18.331 1.480 1.00 1.92 C ATOM 532 OE1 GLN A 33 13.432 19.503 1.483 1.00 4.23 O ATOM 533 NE2 GLN A 33 13.849 17.696 0.364 1.00 1.12 N ATOM 0 H GLN A 33 11.674 19.787 5.048 1.00 0.78 H new ATOM 0 HA GLN A 33 11.543 18.567 2.483 1.00 0.79 H new ATOM 0 HB2 GLN A 33 13.509 19.057 4.265 1.00 0.77 H new ATOM 0 HB3 GLN A 33 13.179 17.419 4.792 1.00 0.77 H new ATOM 0 HG2 GLN A 33 15.035 17.602 3.037 1.00 0.66 H new ATOM 0 HG3 GLN A 33 13.750 16.491 2.606 1.00 0.66 H new ATOM 0 HE21 GLN A 33 14.102 16.708 0.364 1.00 1.12 H new ATOM 0 HE22 GLN A 33 13.689 18.182 -0.518 1.00 1.12 H new ATOM 542 N ALA A 34 10.469 16.524 4.828 1.00 0.73 N ATOM 543 CA ALA A 34 9.704 15.252 5.047 1.00 0.78 C ATOM 544 C ALA A 34 8.234 15.253 4.529 1.00 0.89 C ATOM 545 O ALA A 34 7.791 14.245 4.016 1.00 1.01 O ATOM 546 CB ALA A 34 9.755 14.978 6.565 1.00 0.51 C ATOM 0 H ALA A 34 10.685 17.032 5.686 1.00 0.73 H new ATOM 0 HA ALA A 34 10.173 14.466 4.455 1.00 0.78 H new ATOM 0 HB1 ALA A 34 9.212 14.059 6.787 1.00 0.51 H new ATOM 0 HB2 ALA A 34 10.793 14.872 6.881 1.00 0.51 H new ATOM 0 HB3 ALA A 34 9.296 15.809 7.100 1.00 0.51 H new ATOM 552 N THR A 35 7.528 16.353 4.673 1.00 0.87 N ATOM 553 CA THR A 35 6.081 16.424 4.193 1.00 0.98 C ATOM 554 C THR A 35 5.766 17.243 2.953 1.00 1.09 C ATOM 555 O THR A 35 4.966 16.834 2.138 1.00 0.99 O ATOM 556 CB THR A 35 5.134 16.977 5.297 1.00 0.94 C ATOM 557 OG1 THR A 35 5.635 18.233 5.718 1.00 0.92 O ATOM 558 CG2 THR A 35 5.243 16.179 6.545 1.00 0.76 C ATOM 0 H THR A 35 7.879 17.210 5.100 1.00 0.87 H new ATOM 0 HA THR A 35 5.918 15.377 3.937 1.00 0.98 H new ATOM 0 HB THR A 35 4.127 16.983 4.881 1.00 0.94 H new ATOM 0 HG1 THR A 35 5.131 18.541 6.500 1.00 0.92 H new ATOM 0 HG21 THR A 35 4.570 16.588 7.299 1.00 0.76 H new ATOM 0 HG22 THR A 35 4.971 15.144 6.340 1.00 0.76 H new ATOM 0 HG23 THR A 35 6.268 16.219 6.914 1.00 0.76 H new ATOM 566 N VAL A 36 6.393 18.369 2.830 1.00 1.30 N ATOM 567 CA VAL A 36 6.173 19.283 1.648 1.00 1.44 C ATOM 568 C VAL A 36 7.131 18.876 0.509 1.00 1.50 C ATOM 569 O VAL A 36 6.762 18.845 -0.655 1.00 1.70 O ATOM 570 CB VAL A 36 6.432 20.750 2.125 1.00 1.31 C ATOM 571 CG1 VAL A 36 6.276 21.757 0.946 1.00 1.57 C ATOM 572 CG2 VAL A 36 5.401 21.115 3.225 1.00 1.39 C ATOM 0 H VAL A 36 7.070 18.718 3.509 1.00 1.30 H new ATOM 0 HA VAL A 36 5.155 19.208 1.266 1.00 1.44 H new ATOM 0 HB VAL A 36 7.450 20.812 2.510 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.461 22.769 1.305 1.00 1.57 H new ATOM 0 HG12 VAL A 36 6.993 21.513 0.162 1.00 1.57 H new ATOM 0 HG13 VAL A 36 5.264 21.694 0.545 1.00 1.57 H new ATOM 0 HG21 VAL A 36 5.575 22.137 3.563 1.00 1.39 H new ATOM 0 HG22 VAL A 36 4.392 21.034 2.820 1.00 1.39 H new ATOM 0 HG23 VAL A 36 5.510 20.431 4.067 1.00 1.39 H new ATOM 582 N GLY A 37 8.331 18.582 0.935 1.00 1.37 N ATOM 583 CA GLY A 37 9.468 18.154 0.052 1.00 1.42 C ATOM 584 C GLY A 37 10.567 19.213 -0.020 1.00 1.29 C ATOM 585 O GLY A 37 10.766 20.002 0.885 1.00 1.16 O ATOM 0 H GLY A 37 8.586 18.623 1.922 1.00 1.37 H new ATOM 0 HA2 GLY A 37 9.888 17.221 0.428 1.00 1.42 H new ATOM 0 HA3 GLY A 37 9.092 17.953 -0.951 1.00 1.42 H new ATOM 589 N ASP A 38 11.272 19.129 -1.108 1.00 1.34 N ATOM 590 CA ASP A 38 12.373 20.056 -1.418 1.00 1.29 C ATOM 591 C ASP A 38 11.834 21.508 -1.256 1.00 1.26 C ATOM 592 O ASP A 38 10.645 21.740 -1.115 1.00 2.15 O ATOM 593 CB ASP A 38 12.801 19.667 -2.863 1.00 1.50 C ATOM 594 CG ASP A 38 13.003 18.156 -3.111 1.00 1.70 C ATOM 595 OD1 ASP A 38 12.713 17.320 -2.255 1.00 3.08 O ATOM 596 OD2 ASP A 38 13.462 17.914 -4.210 1.00 2.32 O ATOM 0 H ASP A 38 11.116 18.419 -1.824 1.00 1.34 H new ATOM 0 HA ASP A 38 13.244 20.000 -0.765 1.00 1.29 H new ATOM 0 HB2 ASP A 38 12.046 20.034 -3.558 1.00 1.50 H new ATOM 0 HB3 ASP A 38 13.731 20.184 -3.100 1.00 1.50 H new ATOM 601 N ILE A 39 12.680 22.492 -1.304 1.00 0.95 N ATOM 602 CA ILE A 39 12.122 23.861 -1.129 1.00 0.79 C ATOM 603 C ILE A 39 11.847 24.457 -2.515 1.00 0.84 C ATOM 604 O ILE A 39 12.722 24.744 -3.304 1.00 1.19 O ATOM 605 CB ILE A 39 13.149 24.602 -0.279 1.00 0.74 C ATOM 606 CG1 ILE A 39 12.436 25.869 0.241 1.00 0.79 C ATOM 607 CG2 ILE A 39 14.459 24.858 -1.061 1.00 0.72 C ATOM 608 CD1 ILE A 39 13.273 26.483 1.379 1.00 0.97 C ATOM 0 H ILE A 39 13.687 22.421 -1.449 1.00 0.95 H new ATOM 0 HA ILE A 39 11.162 23.911 -0.616 1.00 0.79 H new ATOM 0 HB ILE A 39 13.488 24.014 0.574 1.00 0.74 H new ATOM 0 HG12 ILE A 39 12.312 26.590 -0.567 1.00 0.79 H new ATOM 0 HG13 ILE A 39 11.438 25.619 0.600 1.00 0.79 H new ATOM 0 HG21 ILE A 39 15.166 25.388 -0.423 1.00 0.72 H new ATOM 0 HG22 ILE A 39 14.891 23.906 -1.369 1.00 0.72 H new ATOM 0 HG23 ILE A 39 14.244 25.461 -1.943 1.00 0.72 H new ATOM 0 HD11 ILE A 39 12.777 27.379 1.753 1.00 0.97 H new ATOM 0 HD12 ILE A 39 13.373 25.759 2.188 1.00 0.97 H new ATOM 0 HD13 ILE A 39 14.262 26.746 1.003 1.00 0.97 H new ATOM 805 N LYS A 52 13.824 33.864 6.572 1.00 0.68 N ATOM 806 CA LYS A 52 15.068 33.537 5.824 1.00 0.55 C ATOM 807 C LYS A 52 15.794 32.343 6.416 1.00 0.18 C ATOM 808 O LYS A 52 16.194 31.454 5.696 1.00 0.40 O ATOM 809 CB LYS A 52 15.943 34.768 5.846 1.00 0.74 C ATOM 810 CG LYS A 52 17.185 34.465 5.005 1.00 1.73 C ATOM 811 CD LYS A 52 18.420 35.088 5.695 1.00 0.86 C ATOM 812 CE LYS A 52 19.620 34.626 4.932 1.00 0.42 C ATOM 813 NZ LYS A 52 19.674 33.143 5.129 1.00 0.50 N ATOM 0 HA LYS A 52 14.818 33.257 4.801 1.00 0.55 H new ATOM 0 HB2 LYS A 52 15.407 35.627 5.442 1.00 0.74 H new ATOM 0 HB3 LYS A 52 16.224 35.020 6.868 1.00 0.74 H new ATOM 0 HG2 LYS A 52 17.315 33.388 4.899 1.00 1.73 H new ATOM 0 HG3 LYS A 52 17.069 34.872 4.001 1.00 1.73 H new ATOM 0 HD2 LYS A 52 18.356 36.176 5.693 1.00 0.86 H new ATOM 0 HD3 LYS A 52 18.480 34.774 6.737 1.00 0.86 H new ATOM 0 HE2 LYS A 52 19.534 34.878 3.875 1.00 0.42 H new ATOM 0 HE3 LYS A 52 20.527 35.104 5.301 1.00 0.42 H new ATOM 0 HZ1 LYS A 52 20.660 32.848 5.279 1.00 0.50 H new ATOM 0 HZ2 LYS A 52 19.104 32.882 5.959 1.00 0.50 H new ATOM 0 HZ3 LYS A 52 19.295 32.667 4.286 1.00 0.50 H new ATOM 827 N ALA A 53 15.927 32.372 7.719 1.00 0.20 N ATOM 828 CA ALA A 53 16.614 31.270 8.442 1.00 0.46 C ATOM 829 C ALA A 53 15.852 29.977 8.101 1.00 0.40 C ATOM 830 O ALA A 53 16.406 29.063 7.549 1.00 0.39 O ATOM 831 CB ALA A 53 16.556 31.640 9.923 1.00 0.77 C ATOM 0 H ALA A 53 15.583 33.124 8.315 1.00 0.20 H new ATOM 0 HA ALA A 53 17.658 31.119 8.168 1.00 0.46 H new ATOM 0 HB1 ALA A 53 17.047 30.865 10.511 1.00 0.77 H new ATOM 0 HB2 ALA A 53 17.064 32.592 10.080 1.00 0.77 H new ATOM 0 HB3 ALA A 53 15.515 31.728 10.236 1.00 0.77 H new ATOM 837 N LYS A 54 14.591 29.946 8.428 1.00 0.52 N ATOM 838 CA LYS A 54 13.752 28.735 8.141 1.00 0.71 C ATOM 839 C LYS A 54 13.791 28.337 6.649 1.00 0.35 C ATOM 840 O LYS A 54 13.908 27.163 6.319 1.00 0.21 O ATOM 841 CB LYS A 54 12.297 29.038 8.583 1.00 1.13 C ATOM 842 CG LYS A 54 12.070 28.706 10.080 1.00 3.10 C ATOM 843 CD LYS A 54 12.912 29.642 11.007 1.00 5.73 C ATOM 844 CE LYS A 54 12.532 29.399 12.467 1.00 7.68 C ATOM 845 NZ LYS A 54 11.119 29.876 12.580 1.00 8.81 N ATOM 0 H LYS A 54 14.096 30.711 8.886 1.00 0.52 H new ATOM 0 HA LYS A 54 14.155 27.889 8.698 1.00 0.71 H new ATOM 0 HB2 LYS A 54 12.075 30.090 8.406 1.00 1.13 H new ATOM 0 HB3 LYS A 54 11.604 28.459 7.973 1.00 1.13 H new ATOM 0 HG2 LYS A 54 11.012 28.810 10.321 1.00 3.10 H new ATOM 0 HG3 LYS A 54 12.340 27.667 10.269 1.00 3.10 H new ATOM 0 HD2 LYS A 54 13.976 29.452 10.862 1.00 5.73 H new ATOM 0 HD3 LYS A 54 12.735 30.685 10.744 1.00 5.73 H new ATOM 0 HE2 LYS A 54 12.615 28.344 12.727 1.00 7.68 H new ATOM 0 HE3 LYS A 54 13.189 29.946 13.143 1.00 7.68 H new ATOM 0 HZ1 LYS A 54 11.022 30.476 13.424 1.00 8.81 H new ATOM 0 HZ2 LYS A 54 10.870 30.426 11.733 1.00 8.81 H new ATOM 0 HZ3 LYS A 54 10.482 29.058 12.661 1.00 8.81 H new ATOM 859 N TRP A 55 13.705 29.320 5.780 1.00 0.39 N ATOM 860 CA TRP A 55 13.731 28.999 4.333 1.00 0.48 C ATOM 861 C TRP A 55 15.055 28.354 3.977 1.00 0.39 C ATOM 862 O TRP A 55 15.141 27.237 3.515 1.00 0.43 O ATOM 863 CB TRP A 55 13.547 30.285 3.495 1.00 0.64 C ATOM 864 CG TRP A 55 13.205 29.825 2.060 1.00 0.87 C ATOM 865 CD1 TRP A 55 11.942 29.683 1.557 1.00 1.08 C ATOM 866 CD2 TRP A 55 14.096 29.447 1.111 1.00 0.98 C ATOM 867 NE1 TRP A 55 12.160 29.220 0.340 1.00 1.26 N ATOM 868 CE2 TRP A 55 13.412 29.046 -0.029 1.00 1.22 C ATOM 869 CE3 TRP A 55 15.488 29.404 1.115 1.00 0.95 C ATOM 870 CZ2 TRP A 55 14.100 28.605 -1.155 1.00 1.36 C ATOM 871 CZ3 TRP A 55 16.184 28.968 0.000 1.00 1.14 C ATOM 872 CH2 TRP A 55 15.496 28.564 -1.137 1.00 1.34 C ATOM 0 H TRP A 55 13.620 30.309 6.013 1.00 0.39 H new ATOM 0 HA TRP A 55 12.915 28.310 4.113 1.00 0.48 H new ATOM 0 HB2 TRP A 55 12.749 30.905 3.905 1.00 0.64 H new ATOM 0 HB3 TRP A 55 14.455 30.888 3.504 1.00 0.64 H new ATOM 0 HD1 TRP A 55 10.998 29.897 2.037 1.00 1.08 H new ATOM 0 HE1 TRP A 55 11.388 29.005 -0.291 1.00 1.26 H new ATOM 0 HE3 TRP A 55 16.030 29.714 1.996 1.00 0.95 H new ATOM 0 HZ2 TRP A 55 13.558 28.296 -2.037 1.00 1.36 H new ATOM 0 HZ3 TRP A 55 17.264 28.942 0.015 1.00 1.14 H new ATOM 0 HH2 TRP A 55 16.039 28.219 -2.005 1.00 1.34 H new ATOM 883 N ASP A 56 16.084 29.090 4.230 1.00 0.35 N ATOM 884 CA ASP A 56 17.443 28.560 3.918 1.00 0.55 C ATOM 885 C ASP A 56 17.681 27.217 4.637 1.00 0.49 C ATOM 886 O ASP A 56 18.152 26.260 4.060 1.00 0.60 O ATOM 887 CB ASP A 56 18.422 29.674 4.323 1.00 0.68 C ATOM 888 CG ASP A 56 18.511 30.636 3.152 1.00 0.95 C ATOM 889 OD1 ASP A 56 18.917 30.188 2.098 1.00 2.23 O ATOM 890 OD2 ASP A 56 18.185 31.789 3.312 1.00 0.53 O ATOM 0 H ASP A 56 16.056 30.026 4.634 1.00 0.35 H new ATOM 0 HA ASP A 56 17.578 28.325 2.862 1.00 0.55 H new ATOM 0 HB2 ASP A 56 18.072 30.188 5.218 1.00 0.68 H new ATOM 0 HB3 ASP A 56 19.403 29.259 4.556 1.00 0.68 H new ATOM 895 N ALA A 57 17.332 27.159 5.887 1.00 0.36 N ATOM 896 CA ALA A 57 17.486 25.941 6.726 1.00 0.39 C ATOM 897 C ALA A 57 16.771 24.769 6.032 1.00 0.31 C ATOM 898 O ALA A 57 17.222 23.647 6.100 1.00 0.36 O ATOM 899 CB ALA A 57 16.877 26.250 8.081 1.00 0.40 C ATOM 0 H ALA A 57 16.925 27.949 6.387 1.00 0.36 H new ATOM 0 HA ALA A 57 18.531 25.660 6.858 1.00 0.39 H new ATOM 0 HB1 ALA A 57 16.970 25.378 8.729 1.00 0.40 H new ATOM 0 HB2 ALA A 57 17.400 27.094 8.531 1.00 0.40 H new ATOM 0 HB3 ALA A 57 15.823 26.500 7.958 1.00 0.40 H new ATOM 905 N TRP A 58 15.666 25.030 5.375 1.00 0.21 N ATOM 906 CA TRP A 58 14.981 23.893 4.688 1.00 0.25 C ATOM 907 C TRP A 58 15.756 23.690 3.365 1.00 0.42 C ATOM 908 O TRP A 58 16.082 22.567 3.035 1.00 0.55 O ATOM 909 CB TRP A 58 13.571 24.308 4.487 1.00 0.29 C ATOM 910 CG TRP A 58 12.830 23.301 3.590 1.00 0.45 C ATOM 911 CD1 TRP A 58 13.191 22.028 3.200 1.00 0.56 C ATOM 912 CD2 TRP A 58 11.656 23.607 3.038 1.00 0.55 C ATOM 913 NE1 TRP A 58 12.173 21.678 2.426 1.00 0.67 N ATOM 914 CE2 TRP A 58 11.196 22.558 2.262 1.00 0.69 C ATOM 915 CE3 TRP A 58 10.922 24.783 3.179 1.00 0.58 C ATOM 916 CZ2 TRP A 58 9.974 22.697 1.605 1.00 0.82 C ATOM 917 CZ3 TRP A 58 9.707 24.916 2.528 1.00 0.73 C ATOM 918 CH2 TRP A 58 9.236 23.873 1.740 1.00 0.84 C ATOM 0 H TRP A 58 15.223 25.945 5.286 1.00 0.21 H new ATOM 0 HA TRP A 58 14.972 22.952 5.238 1.00 0.25 H new ATOM 0 HB2 TRP A 58 13.068 24.383 5.451 1.00 0.29 H new ATOM 0 HB3 TRP A 58 13.539 25.299 4.033 1.00 0.29 H new ATOM 0 HD1 TRP A 58 14.074 21.463 3.458 1.00 0.56 H new ATOM 0 HE1 TRP A 58 12.143 20.764 1.973 1.00 0.67 H new ATOM 0 HE3 TRP A 58 11.299 25.587 3.793 1.00 0.58 H new ATOM 0 HZ2 TRP A 58 9.598 21.892 0.990 1.00 0.82 H new ATOM 0 HZ3 TRP A 58 9.130 25.823 2.632 1.00 0.73 H new ATOM 0 HH2 TRP A 58 8.291 23.974 1.228 1.00 0.84 H new ATOM 929 N ASN A 59 16.032 24.751 2.653 1.00 0.43 N ATOM 930 CA ASN A 59 16.801 24.676 1.358 1.00 0.60 C ATOM 931 C ASN A 59 18.033 23.755 1.559 1.00 0.68 C ATOM 932 O ASN A 59 18.340 22.934 0.721 1.00 0.78 O ATOM 933 CB ASN A 59 17.166 26.137 1.022 1.00 0.61 C ATOM 934 CG ASN A 59 18.209 26.309 -0.065 1.00 1.15 C ATOM 935 OD1 ASN A 59 18.292 25.545 -1.006 1.00 1.12 O ATOM 936 ND2 ASN A 59 19.030 27.316 0.015 1.00 1.87 N ATOM 0 H ASN A 59 15.752 25.696 2.916 1.00 0.43 H new ATOM 0 HA ASN A 59 16.241 24.243 0.529 1.00 0.60 H new ATOM 0 HB2 ASN A 59 16.259 26.661 0.719 1.00 0.61 H new ATOM 0 HB3 ASN A 59 17.526 26.622 1.929 1.00 0.61 H new ATOM 0 HD21 ASN A 59 19.735 27.458 -0.708 1.00 1.87 H new ATOM 0 HD22 ASN A 59 18.968 27.963 0.801 1.00 1.87 H new ATOM 943 N GLU A 60 18.672 23.948 2.679 1.00 0.64 N ATOM 944 CA GLU A 60 19.874 23.182 3.124 1.00 0.71 C ATOM 945 C GLU A 60 19.619 21.645 2.961 1.00 0.75 C ATOM 946 O GLU A 60 20.477 20.847 2.630 1.00 0.90 O ATOM 947 CB GLU A 60 20.102 23.564 4.583 1.00 0.67 C ATOM 948 CG GLU A 60 21.380 22.911 5.134 1.00 0.75 C ATOM 949 CD GLU A 60 21.376 22.993 6.656 1.00 0.86 C ATOM 950 OE1 GLU A 60 20.678 22.158 7.213 1.00 2.81 O ATOM 951 OE2 GLU A 60 22.055 23.879 7.139 1.00 1.61 O ATOM 0 H GLU A 60 18.386 24.659 3.352 1.00 0.64 H new ATOM 0 HA GLU A 60 20.755 23.416 2.527 1.00 0.71 H new ATOM 0 HB2 GLU A 60 20.177 24.648 4.671 1.00 0.67 H new ATOM 0 HB3 GLU A 60 19.245 23.254 5.181 1.00 0.67 H new ATOM 0 HG2 GLU A 60 21.436 21.870 4.815 1.00 0.75 H new ATOM 0 HG3 GLU A 60 22.260 23.415 4.734 1.00 0.75 H new ATOM 958 N LEU A 61 18.385 21.307 3.211 1.00 0.63 N ATOM 959 CA LEU A 61 17.865 19.916 3.139 1.00 0.68 C ATOM 960 C LEU A 61 17.207 19.619 1.790 1.00 0.80 C ATOM 961 O LEU A 61 16.917 18.479 1.511 1.00 0.93 O ATOM 962 CB LEU A 61 16.800 19.694 4.234 1.00 0.58 C ATOM 963 CG LEU A 61 17.222 20.216 5.613 1.00 0.46 C ATOM 964 CD1 LEU A 61 16.058 19.916 6.555 1.00 0.37 C ATOM 965 CD2 LEU A 61 18.457 19.476 6.145 1.00 0.48 C ATOM 0 H LEU A 61 17.674 21.987 3.479 1.00 0.63 H new ATOM 0 HA LEU A 61 18.719 19.253 3.276 1.00 0.68 H new ATOM 0 HB2 LEU A 61 15.875 20.187 3.935 1.00 0.58 H new ATOM 0 HB3 LEU A 61 16.584 18.628 4.308 1.00 0.58 H new ATOM 0 HG LEU A 61 17.464 21.277 5.546 1.00 0.46 H new ATOM 0 HD11 LEU A 61 16.302 20.267 7.558 1.00 0.37 H new ATOM 0 HD12 LEU A 61 15.162 20.425 6.200 1.00 0.37 H new ATOM 0 HD13 LEU A 61 15.878 18.841 6.581 1.00 0.37 H new ATOM 0 HD21 LEU A 61 18.726 19.873 7.124 1.00 0.48 H new ATOM 0 HD22 LEU A 61 18.234 18.413 6.234 1.00 0.48 H new ATOM 0 HD23 LEU A 61 19.290 19.615 5.456 1.00 0.48 H new ATOM 977 N LYS A 62 16.994 20.604 0.967 1.00 0.77 N ATOM 978 CA LYS A 62 16.335 20.446 -0.371 1.00 0.88 C ATOM 979 C LYS A 62 16.160 19.107 -1.039 1.00 1.16 C ATOM 980 O LYS A 62 15.101 18.883 -1.565 1.00 1.24 O ATOM 981 CB LYS A 62 17.054 21.439 -1.380 1.00 0.77 C ATOM 982 CG LYS A 62 16.607 21.147 -2.867 1.00 0.79 C ATOM 983 CD LYS A 62 17.222 22.110 -3.919 1.00 1.56 C ATOM 984 CE LYS A 62 18.751 22.175 -3.814 1.00 1.81 C ATOM 985 NZ LYS A 62 19.281 22.418 -5.198 1.00 1.39 N ATOM 0 H LYS A 62 17.263 21.566 1.175 1.00 0.77 H new ATOM 0 HA LYS A 62 15.295 20.658 -0.121 1.00 0.88 H new ATOM 0 HB2 LYS A 62 16.812 22.469 -1.118 1.00 0.77 H new ATOM 0 HB3 LYS A 62 18.135 21.333 -1.293 1.00 0.77 H new ATOM 0 HG2 LYS A 62 16.883 20.124 -3.123 1.00 0.79 H new ATOM 0 HG3 LYS A 62 15.520 21.209 -2.926 1.00 0.79 H new ATOM 0 HD2 LYS A 62 16.941 21.781 -4.920 1.00 1.56 H new ATOM 0 HD3 LYS A 62 16.806 23.108 -3.783 1.00 1.56 H new ATOM 0 HE2 LYS A 62 19.057 22.974 -3.139 1.00 1.81 H new ATOM 0 HE3 LYS A 62 19.149 21.245 -3.407 1.00 1.81 H new ATOM 0 HZ1 LYS A 62 20.319 22.469 -5.168 1.00 1.39 H new ATOM 0 HZ2 LYS A 62 18.990 21.639 -5.823 1.00 1.39 H new ATOM 0 HZ3 LYS A 62 18.901 23.315 -5.563 1.00 1.39 H new ATOM 999 N GLY A 63 17.102 18.238 -1.055 1.00 1.32 N ATOM 1000 CA GLY A 63 16.905 16.896 -1.728 1.00 1.58 C ATOM 1001 C GLY A 63 17.303 15.737 -0.799 1.00 1.12 C ATOM 1002 O GLY A 63 17.455 14.610 -1.225 1.00 1.30 O ATOM 0 H GLY A 63 18.021 18.375 -0.633 1.00 1.32 H new ATOM 0 HA2 GLY A 63 15.862 16.785 -2.023 1.00 1.58 H new ATOM 0 HA3 GLY A 63 17.501 16.854 -2.640 1.00 1.58 H new ATOM 1006 N THR A 64 17.464 16.058 0.453 1.00 0.56 N ATOM 1007 CA THR A 64 17.851 15.050 1.495 1.00 0.25 C ATOM 1008 C THR A 64 16.694 14.128 1.851 1.00 1.15 C ATOM 1009 O THR A 64 15.602 14.586 2.133 1.00 2.42 O ATOM 1010 CB THR A 64 18.333 15.794 2.778 1.00 0.96 C ATOM 1011 OG1 THR A 64 19.724 16.005 2.593 1.00 1.28 O ATOM 1012 CG2 THR A 64 18.324 14.949 4.044 1.00 1.17 C ATOM 0 H THR A 64 17.341 17.004 0.814 1.00 0.56 H new ATOM 0 HA THR A 64 18.653 14.436 1.085 1.00 0.25 H new ATOM 0 HB THR A 64 17.681 16.660 2.897 1.00 0.96 H new ATOM 0 HG1 THR A 64 20.090 16.474 3.371 1.00 1.28 H new ATOM 0 HG21 THR A 64 18.674 15.549 4.884 1.00 1.17 H new ATOM 0 HG22 THR A 64 17.310 14.603 4.243 1.00 1.17 H new ATOM 0 HG23 THR A 64 18.982 14.090 3.913 1.00 1.17 H new ATOM 1020 N SER A 65 16.975 12.847 1.788 1.00 0.42 N ATOM 1021 CA SER A 65 15.975 11.771 2.118 1.00 1.06 C ATOM 1022 C SER A 65 14.852 12.189 3.087 1.00 0.97 C ATOM 1023 O SER A 65 15.046 12.462 4.261 1.00 1.21 O ATOM 1024 CB SER A 65 16.750 10.579 2.682 1.00 1.48 C ATOM 1025 OG SER A 65 15.776 9.779 3.354 1.00 3.80 O ATOM 0 H SER A 65 17.889 12.488 1.512 1.00 0.42 H new ATOM 0 HA SER A 65 15.450 11.526 1.195 1.00 1.06 H new ATOM 0 HB2 SER A 65 17.240 10.017 1.887 1.00 1.48 H new ATOM 0 HB3 SER A 65 17.531 10.907 3.368 1.00 1.48 H new ATOM 0 HG SER A 65 16.174 8.918 3.602 1.00 3.80 H new ATOM 1031 N LYS A 66 13.670 12.218 2.526 1.00 0.68 N ATOM 1032 CA LYS A 66 12.461 12.604 3.307 1.00 0.45 C ATOM 1033 C LYS A 66 12.439 11.716 4.576 1.00 0.57 C ATOM 1034 O LYS A 66 12.010 12.155 5.625 1.00 0.73 O ATOM 1035 CB LYS A 66 11.268 12.417 2.313 1.00 0.15 C ATOM 1036 CG LYS A 66 11.420 13.518 1.187 1.00 2.77 C ATOM 1037 CD LYS A 66 10.542 13.170 -0.057 1.00 3.06 C ATOM 1038 CE LYS A 66 10.518 14.325 -1.121 1.00 3.44 C ATOM 1039 NZ LYS A 66 11.908 14.667 -1.599 1.00 4.59 N ATOM 0 H LYS A 66 13.491 11.988 1.549 1.00 0.68 H new ATOM 0 HA LYS A 66 12.424 13.630 3.674 1.00 0.45 H new ATOM 0 HB2 LYS A 66 11.283 11.418 1.878 1.00 0.15 H new ATOM 0 HB3 LYS A 66 10.315 12.525 2.831 1.00 0.15 H new ATOM 0 HG2 LYS A 66 11.128 14.491 1.582 1.00 2.77 H new ATOM 0 HG3 LYS A 66 12.465 13.596 0.889 1.00 2.77 H new ATOM 0 HD2 LYS A 66 10.922 12.260 -0.522 1.00 3.06 H new ATOM 0 HD3 LYS A 66 9.523 12.960 0.269 1.00 3.06 H new ATOM 0 HE2 LYS A 66 9.904 14.026 -1.970 1.00 3.44 H new ATOM 0 HE3 LYS A 66 10.053 15.211 -0.688 1.00 3.44 H new ATOM 0 HZ1 LYS A 66 12.077 15.686 -1.476 1.00 4.59 H new ATOM 0 HZ2 LYS A 66 12.607 14.131 -1.046 1.00 4.59 H new ATOM 0 HZ3 LYS A 66 12.000 14.420 -2.605 1.00 4.59 H new ATOM 1053 N GLU A 67 12.938 10.510 4.425 1.00 0.59 N ATOM 1054 CA GLU A 67 13.024 9.491 5.512 1.00 0.70 C ATOM 1055 C GLU A 67 14.126 9.930 6.524 1.00 0.51 C ATOM 1056 O GLU A 67 13.961 9.829 7.721 1.00 0.50 O ATOM 1057 CB GLU A 67 13.350 8.126 4.834 1.00 0.91 C ATOM 1058 CG GLU A 67 12.067 7.429 4.203 1.00 1.46 C ATOM 1059 CD GLU A 67 12.327 6.003 3.640 1.00 1.64 C ATOM 1060 OE1 GLU A 67 13.475 5.582 3.618 1.00 1.34 O ATOM 1061 OE2 GLU A 67 11.329 5.411 3.257 1.00 2.09 O ATOM 0 H GLU A 67 13.310 10.178 3.535 1.00 0.59 H new ATOM 0 HA GLU A 67 12.093 9.395 6.070 1.00 0.70 H new ATOM 0 HB2 GLU A 67 14.094 8.282 4.053 1.00 0.91 H new ATOM 0 HB3 GLU A 67 13.796 7.457 5.570 1.00 0.91 H new ATOM 0 HG2 GLU A 67 11.288 7.371 4.964 1.00 1.46 H new ATOM 0 HG3 GLU A 67 11.683 8.059 3.401 1.00 1.46 H new ATOM 1068 N ASP A 68 15.245 10.410 6.048 1.00 0.39 N ATOM 1069 CA ASP A 68 16.338 10.857 6.954 1.00 0.18 C ATOM 1070 C ASP A 68 15.782 11.966 7.817 1.00 0.34 C ATOM 1071 O ASP A 68 15.951 11.990 9.022 1.00 0.40 O ATOM 1072 CB ASP A 68 17.445 11.297 6.040 1.00 0.20 C ATOM 1073 CG ASP A 68 18.110 10.106 5.394 1.00 0.72 C ATOM 1074 OD1 ASP A 68 17.557 9.016 5.367 1.00 2.26 O ATOM 1075 OD2 ASP A 68 19.184 10.404 4.922 1.00 1.50 O ATOM 0 H ASP A 68 15.448 10.512 5.054 1.00 0.39 H new ATOM 0 HA ASP A 68 16.721 10.095 7.632 1.00 0.18 H new ATOM 0 HB2 ASP A 68 17.047 11.959 5.271 1.00 0.20 H new ATOM 0 HB3 ASP A 68 18.182 11.870 6.603 1.00 0.20 H new ATOM 1080 N ALA A 69 15.134 12.847 7.103 1.00 0.37 N ATOM 1081 CA ALA A 69 14.480 14.024 7.734 1.00 0.38 C ATOM 1082 C ALA A 69 13.615 13.365 8.805 1.00 0.45 C ATOM 1083 O ALA A 69 13.830 13.630 9.965 1.00 0.66 O ATOM 1084 CB ALA A 69 13.659 14.743 6.674 1.00 0.43 C ATOM 0 H ALA A 69 15.030 12.797 6.090 1.00 0.37 H new ATOM 0 HA ALA A 69 15.148 14.776 8.154 1.00 0.38 H new ATOM 0 HB1 ALA A 69 13.171 15.610 7.118 1.00 0.43 H new ATOM 0 HB2 ALA A 69 14.314 15.069 5.866 1.00 0.43 H new ATOM 0 HB3 ALA A 69 12.903 14.065 6.277 1.00 0.43 H new ATOM 1090 N MET A 70 12.672 12.541 8.407 1.00 0.42 N ATOM 1091 CA MET A 70 11.799 11.840 9.373 1.00 0.55 C ATOM 1092 C MET A 70 12.605 11.359 10.603 1.00 0.57 C ATOM 1093 O MET A 70 12.347 11.770 11.705 1.00 0.62 O ATOM 1094 CB MET A 70 11.180 10.691 8.610 1.00 0.65 C ATOM 1095 CG MET A 70 9.994 11.142 7.762 1.00 0.78 C ATOM 1096 SD MET A 70 9.019 9.838 6.973 1.00 1.09 S ATOM 1097 CE MET A 70 7.661 10.899 6.419 1.00 0.59 C ATOM 0 H MET A 70 12.476 12.328 7.429 1.00 0.42 H new ATOM 0 HA MET A 70 11.026 12.497 9.773 1.00 0.55 H new ATOM 0 HB2 MET A 70 11.933 10.235 7.967 1.00 0.65 H new ATOM 0 HB3 MET A 70 10.853 9.924 9.312 1.00 0.65 H new ATOM 0 HG2 MET A 70 9.328 11.730 8.393 1.00 0.78 H new ATOM 0 HG3 MET A 70 10.366 11.808 6.983 1.00 0.78 H new ATOM 0 HE1 MET A 70 7.229 10.490 5.506 1.00 0.59 H new ATOM 0 HE2 MET A 70 6.896 10.945 7.194 1.00 0.59 H new ATOM 0 HE3 MET A 70 8.040 11.902 6.224 1.00 0.59 H new ATOM 1107 N LYS A 71 13.573 10.520 10.355 1.00 0.55 N ATOM 1108 CA LYS A 71 14.453 9.946 11.402 1.00 0.55 C ATOM 1109 C LYS A 71 14.999 11.030 12.350 1.00 0.56 C ATOM 1110 O LYS A 71 14.635 11.093 13.510 1.00 0.57 O ATOM 1111 CB LYS A 71 15.583 9.214 10.655 1.00 0.37 C ATOM 1112 CG LYS A 71 15.267 7.728 10.465 1.00 0.89 C ATOM 1113 CD LYS A 71 13.887 7.428 9.829 1.00 2.37 C ATOM 1114 CE LYS A 71 13.596 5.931 10.036 1.00 4.26 C ATOM 1115 NZ LYS A 71 13.222 5.732 11.474 1.00 6.00 N ATOM 0 H LYS A 71 13.797 10.195 9.414 1.00 0.55 H new ATOM 0 HA LYS A 71 13.901 9.260 12.044 1.00 0.55 H new ATOM 0 HB2 LYS A 71 15.738 9.680 9.682 1.00 0.37 H new ATOM 0 HB3 LYS A 71 16.515 9.320 11.211 1.00 0.37 H new ATOM 0 HG2 LYS A 71 16.042 7.284 9.840 1.00 0.89 H new ATOM 0 HG3 LYS A 71 15.318 7.234 11.435 1.00 0.89 H new ATOM 0 HD2 LYS A 71 13.111 8.037 10.293 1.00 2.37 H new ATOM 0 HD3 LYS A 71 13.893 7.674 8.767 1.00 2.37 H new ATOM 0 HE2 LYS A 71 12.787 5.605 9.382 1.00 4.26 H new ATOM 0 HE3 LYS A 71 14.471 5.333 9.783 1.00 4.26 H new ATOM 0 HZ1 LYS A 71 12.646 4.871 11.567 1.00 6.00 H new ATOM 0 HZ2 LYS A 71 14.085 5.635 12.047 1.00 6.00 H new ATOM 0 HZ3 LYS A 71 12.676 6.552 11.807 1.00 6.00 H new ATOM 1129 N ALA A 72 15.833 11.867 11.791 1.00 0.55 N ATOM 1130 CA ALA A 72 16.472 12.972 12.540 1.00 0.55 C ATOM 1131 C ALA A 72 15.426 13.783 13.318 1.00 0.60 C ATOM 1132 O ALA A 72 15.572 14.066 14.489 1.00 0.67 O ATOM 1133 CB ALA A 72 17.209 13.780 11.477 1.00 0.57 C ATOM 0 H ALA A 72 16.102 11.822 10.808 1.00 0.55 H new ATOM 0 HA ALA A 72 17.166 12.629 13.307 1.00 0.55 H new ATOM 0 HB1 ALA A 72 17.714 14.624 11.947 1.00 0.57 H new ATOM 0 HB2 ALA A 72 17.945 13.146 10.983 1.00 0.57 H new ATOM 0 HB3 ALA A 72 16.495 14.149 10.740 1.00 0.57 H new ATOM 1139 N TYR A 73 14.375 14.116 12.625 1.00 0.56 N ATOM 1140 CA TYR A 73 13.255 14.901 13.199 1.00 0.56 C ATOM 1141 C TYR A 73 12.634 14.161 14.395 1.00 0.51 C ATOM 1142 O TYR A 73 12.577 14.659 15.492 1.00 0.49 O ATOM 1143 CB TYR A 73 12.305 15.084 12.020 1.00 0.61 C ATOM 1144 CG TYR A 73 10.996 15.779 12.346 1.00 0.40 C ATOM 1145 CD1 TYR A 73 9.934 15.129 12.949 1.00 2.26 C ATOM 1146 CD2 TYR A 73 10.870 17.099 12.007 1.00 2.51 C ATOM 1147 CE1 TYR A 73 8.763 15.817 13.197 1.00 2.38 C ATOM 1148 CE2 TYR A 73 9.711 17.772 12.256 1.00 2.37 C ATOM 1149 CZ TYR A 73 8.647 17.135 12.854 1.00 0.21 C ATOM 1150 OH TYR A 73 7.471 17.800 13.115 1.00 0.38 O ATOM 0 H TYR A 73 14.245 13.864 11.645 1.00 0.56 H new ATOM 0 HA TYR A 73 13.549 15.865 13.613 1.00 0.56 H new ATOM 0 HB2 TYR A 73 12.818 15.655 11.246 1.00 0.61 H new ATOM 0 HB3 TYR A 73 12.082 14.104 11.598 1.00 0.61 H new ATOM 0 HD1 TYR A 73 10.021 14.088 13.224 1.00 2.26 H new ATOM 0 HD2 TYR A 73 11.696 17.612 11.538 1.00 2.51 H new ATOM 0 HE1 TYR A 73 7.932 15.310 13.666 1.00 2.38 H new ATOM 0 HE2 TYR A 73 9.627 18.813 11.982 1.00 2.37 H new ATOM 0 HH TYR A 73 7.273 18.415 12.379 1.00 0.38 H new ATOM 1160 N ILE A 74 12.196 12.974 14.145 1.00 0.50 N ATOM 1161 CA ILE A 74 11.548 12.107 15.175 1.00 0.49 C ATOM 1162 C ILE A 74 12.394 12.019 16.406 1.00 0.43 C ATOM 1163 O ILE A 74 11.944 12.362 17.477 1.00 0.45 O ATOM 1164 CB ILE A 74 11.336 10.722 14.589 1.00 0.54 C ATOM 1165 CG1 ILE A 74 10.299 10.836 13.468 1.00 0.55 C ATOM 1166 CG2 ILE A 74 10.771 9.802 15.717 1.00 0.77 C ATOM 1167 CD1 ILE A 74 10.495 9.661 12.537 1.00 0.70 C ATOM 0 H ILE A 74 12.260 12.539 13.225 1.00 0.50 H new ATOM 0 HA ILE A 74 10.589 12.543 15.457 1.00 0.49 H new ATOM 0 HB ILE A 74 12.267 10.311 14.199 1.00 0.54 H new ATOM 0 HG12 ILE A 74 9.290 10.833 13.879 1.00 0.55 H new ATOM 0 HG13 ILE A 74 10.421 11.775 12.929 1.00 0.55 H new ATOM 0 HG21 ILE A 74 10.609 8.799 15.322 1.00 0.77 H new ATOM 0 HG22 ILE A 74 11.483 9.757 16.541 1.00 0.77 H new ATOM 0 HG23 ILE A 74 9.825 10.207 16.077 1.00 0.77 H new ATOM 0 HD11 ILE A 74 9.769 9.714 11.726 1.00 0.70 H new ATOM 0 HD12 ILE A 74 11.503 9.688 12.124 1.00 0.70 H new ATOM 0 HD13 ILE A 74 10.354 8.732 13.089 1.00 0.70 H new ATOM 1179 N ASP A 75 13.601 11.575 16.199 1.00 0.42 N ATOM 1180 CA ASP A 75 14.537 11.439 17.319 1.00 0.50 C ATOM 1181 C ASP A 75 14.626 12.820 17.964 1.00 0.41 C ATOM 1182 O ASP A 75 14.505 12.977 19.158 1.00 0.39 O ATOM 1183 CB ASP A 75 15.800 10.935 16.668 1.00 0.62 C ATOM 1184 CG ASP A 75 15.674 9.432 16.505 1.00 0.97 C ATOM 1185 OD1 ASP A 75 15.808 8.800 17.537 1.00 1.15 O ATOM 1186 OD2 ASP A 75 15.451 9.022 15.384 1.00 1.13 O ATOM 0 H ASP A 75 13.971 11.301 15.289 1.00 0.42 H new ATOM 0 HA ASP A 75 14.270 10.751 18.121 1.00 0.50 H new ATOM 0 HB2 ASP A 75 15.946 11.413 15.699 1.00 0.62 H new ATOM 0 HB3 ASP A 75 16.668 11.181 17.279 1.00 0.62 H new ATOM 1191 N LYS A 76 14.823 13.811 17.128 1.00 0.37 N ATOM 1192 CA LYS A 76 14.922 15.201 17.668 1.00 0.35 C ATOM 1193 C LYS A 76 13.755 15.485 18.611 1.00 0.41 C ATOM 1194 O LYS A 76 13.942 15.906 19.726 1.00 0.41 O ATOM 1195 CB LYS A 76 14.888 16.252 16.529 1.00 0.55 C ATOM 1196 CG LYS A 76 14.996 17.753 17.089 1.00 2.01 C ATOM 1197 CD LYS A 76 16.054 18.005 18.248 1.00 1.00 C ATOM 1198 CE LYS A 76 17.392 18.601 17.797 1.00 0.68 C ATOM 1199 NZ LYS A 76 17.847 17.812 16.622 1.00 1.96 N ATOM 0 H LYS A 76 14.918 13.721 16.116 1.00 0.37 H new ATOM 0 HA LYS A 76 15.870 15.275 18.200 1.00 0.35 H new ATOM 0 HB2 LYS A 76 15.709 16.063 15.838 1.00 0.55 H new ATOM 0 HB3 LYS A 76 13.963 16.142 15.963 1.00 0.55 H new ATOM 0 HG2 LYS A 76 15.241 18.411 16.255 1.00 2.01 H new ATOM 0 HG3 LYS A 76 14.013 18.052 17.454 1.00 2.01 H new ATOM 0 HD2 LYS A 76 15.608 18.673 18.985 1.00 1.00 H new ATOM 0 HD3 LYS A 76 16.248 17.058 18.752 1.00 1.00 H new ATOM 0 HE2 LYS A 76 17.276 19.652 17.534 1.00 0.68 H new ATOM 0 HE3 LYS A 76 18.126 18.553 18.601 1.00 0.68 H new ATOM 0 HZ1 LYS A 76 18.852 18.008 16.440 1.00 1.96 H new ATOM 0 HZ2 LYS A 76 17.721 16.798 16.815 1.00 1.96 H new ATOM 0 HZ3 LYS A 76 17.286 18.078 15.787 1.00 1.96 H new ATOM 1213 N VAL A 77 12.558 15.237 18.162 1.00 0.50 N ATOM 1214 CA VAL A 77 11.350 15.492 19.006 1.00 0.59 C ATOM 1215 C VAL A 77 11.376 14.571 20.237 1.00 0.56 C ATOM 1216 O VAL A 77 11.214 15.029 21.350 1.00 0.64 O ATOM 1217 CB VAL A 77 10.130 15.263 18.091 1.00 0.56 C ATOM 1218 CG1 VAL A 77 8.872 15.591 18.875 1.00 0.57 C ATOM 1219 CG2 VAL A 77 10.184 16.254 16.895 1.00 0.50 C ATOM 0 H VAL A 77 12.359 14.863 17.234 1.00 0.50 H new ATOM 0 HA VAL A 77 11.313 16.507 19.401 1.00 0.59 H new ATOM 0 HB VAL A 77 10.133 14.231 17.741 1.00 0.56 H new ATOM 0 HG11 VAL A 77 7.998 15.435 18.243 1.00 0.57 H new ATOM 0 HG12 VAL A 77 8.808 14.943 19.749 1.00 0.57 H new ATOM 0 HG13 VAL A 77 8.905 16.632 19.197 1.00 0.57 H new ATOM 0 HG21 VAL A 77 9.321 16.092 16.249 1.00 0.50 H new ATOM 0 HG22 VAL A 77 10.169 17.278 17.270 1.00 0.50 H new ATOM 0 HG23 VAL A 77 11.099 16.089 16.327 1.00 0.50 H new ATOM 1229 N GLU A 78 11.567 13.297 20.031 1.00 0.54 N ATOM 1230 CA GLU A 78 11.634 12.312 21.165 1.00 0.54 C ATOM 1231 C GLU A 78 12.544 12.941 22.249 1.00 0.63 C ATOM 1232 O GLU A 78 12.221 13.008 23.435 1.00 0.63 O ATOM 1233 CB GLU A 78 12.184 10.996 20.546 1.00 0.27 C ATOM 1234 CG GLU A 78 12.723 9.971 21.606 1.00 0.79 C ATOM 1235 CD GLU A 78 11.823 9.862 22.818 1.00 1.53 C ATOM 1236 OE1 GLU A 78 10.640 9.594 22.681 1.00 2.48 O ATOM 1237 OE2 GLU A 78 12.367 10.067 23.895 1.00 2.20 O ATOM 0 H GLU A 78 11.683 12.882 19.106 1.00 0.54 H new ATOM 0 HA GLU A 78 10.682 12.084 21.645 1.00 0.54 H new ATOM 0 HB2 GLU A 78 11.393 10.521 19.965 1.00 0.27 H new ATOM 0 HB3 GLU A 78 12.987 11.241 19.851 1.00 0.27 H new ATOM 0 HG2 GLU A 78 12.821 8.990 21.141 1.00 0.79 H new ATOM 0 HG3 GLU A 78 13.721 10.274 21.924 1.00 0.79 H new ATOM 1244 N GLU A 79 13.662 13.427 21.766 1.00 0.62 N ATOM 1245 CA GLU A 79 14.682 14.084 22.639 1.00 0.54 C ATOM 1246 C GLU A 79 14.034 15.370 23.203 1.00 0.37 C ATOM 1247 O GLU A 79 14.070 15.578 24.399 1.00 0.32 O ATOM 1248 CB GLU A 79 15.921 14.360 21.747 1.00 0.63 C ATOM 1249 CG GLU A 79 16.757 13.045 21.591 1.00 0.99 C ATOM 1250 CD GLU A 79 17.685 12.921 22.797 1.00 3.03 C ATOM 1251 OE1 GLU A 79 18.769 13.467 22.710 1.00 2.73 O ATOM 1252 OE2 GLU A 79 17.238 12.298 23.742 1.00 5.20 O ATOM 0 H GLU A 79 13.915 13.394 20.778 1.00 0.62 H new ATOM 0 HA GLU A 79 15.004 13.477 23.485 1.00 0.54 H new ATOM 0 HB2 GLU A 79 15.604 14.720 20.768 1.00 0.63 H new ATOM 0 HB3 GLU A 79 16.535 15.143 22.192 1.00 0.63 H new ATOM 0 HG2 GLU A 79 16.096 12.180 21.530 1.00 0.99 H new ATOM 0 HG3 GLU A 79 17.336 13.070 20.668 1.00 0.99 H new ATOM 1259 N LEU A 80 13.466 16.221 22.375 1.00 0.41 N ATOM 1260 CA LEU A 80 12.810 17.477 22.898 1.00 0.31 C ATOM 1261 C LEU A 80 11.938 17.094 24.060 1.00 0.34 C ATOM 1262 O LEU A 80 12.047 17.657 25.123 1.00 0.34 O ATOM 1263 CB LEU A 80 11.881 18.181 21.853 1.00 0.36 C ATOM 1264 CG LEU A 80 12.529 18.653 20.533 1.00 0.33 C ATOM 1265 CD1 LEU A 80 11.452 19.476 19.823 1.00 0.46 C ATOM 1266 CD2 LEU A 80 13.721 19.571 20.749 1.00 0.44 C ATOM 0 H LEU A 80 13.426 16.104 21.362 1.00 0.41 H new ATOM 0 HA LEU A 80 13.612 18.168 23.159 1.00 0.31 H new ATOM 0 HB2 LEU A 80 11.072 17.494 21.605 1.00 0.36 H new ATOM 0 HB3 LEU A 80 11.427 19.047 22.335 1.00 0.36 H new ATOM 0 HG LEU A 80 12.882 17.783 19.979 1.00 0.33 H new ATOM 0 HD11 LEU A 80 11.842 19.845 18.875 1.00 0.46 H new ATOM 0 HD12 LEU A 80 10.579 18.850 19.637 1.00 0.46 H new ATOM 0 HD13 LEU A 80 11.166 20.320 20.451 1.00 0.46 H new ATOM 0 HD21 LEU A 80 14.131 19.868 19.784 1.00 0.44 H new ATOM 0 HD22 LEU A 80 13.402 20.458 21.296 1.00 0.44 H new ATOM 0 HD23 LEU A 80 14.485 19.046 21.322 1.00 0.44 H new ATOM 1278 N LYS A 81 11.081 16.152 23.844 1.00 0.40 N ATOM 1279 CA LYS A 81 10.163 15.665 24.907 1.00 0.42 C ATOM 1280 C LYS A 81 11.039 15.339 26.109 1.00 0.38 C ATOM 1281 O LYS A 81 10.659 15.641 27.219 1.00 0.41 O ATOM 1282 CB LYS A 81 9.413 14.475 24.284 1.00 0.48 C ATOM 1283 CG LYS A 81 8.443 13.810 25.288 1.00 0.50 C ATOM 1284 CD LYS A 81 9.131 12.735 26.190 1.00 2.82 C ATOM 1285 CE LYS A 81 9.075 11.348 25.536 1.00 2.95 C ATOM 1286 NZ LYS A 81 10.034 11.295 24.399 1.00 4.00 N ATOM 0 H LYS A 81 10.971 15.680 22.946 1.00 0.40 H new ATOM 0 HA LYS A 81 9.410 16.370 25.260 1.00 0.42 H new ATOM 0 HB2 LYS A 81 8.855 14.815 23.412 1.00 0.48 H new ATOM 0 HB3 LYS A 81 10.134 13.736 23.933 1.00 0.48 H new ATOM 0 HG2 LYS A 81 8.003 14.580 25.922 1.00 0.50 H new ATOM 0 HG3 LYS A 81 7.625 13.344 24.739 1.00 0.50 H new ATOM 0 HD2 LYS A 81 10.169 13.015 26.368 1.00 2.82 H new ATOM 0 HD3 LYS A 81 8.639 12.702 27.162 1.00 2.82 H new ATOM 0 HE2 LYS A 81 9.320 10.579 26.268 1.00 2.95 H new ATOM 0 HE3 LYS A 81 8.065 11.141 25.183 1.00 2.95 H new ATOM 0 HZ1 LYS A 81 9.947 10.379 23.914 1.00 4.00 H new ATOM 0 HZ2 LYS A 81 9.822 12.062 23.730 1.00 4.00 H new ATOM 0 HZ3 LYS A 81 11.004 11.406 24.757 1.00 4.00 H new ATOM 1300 N LYS A 82 12.180 14.738 25.909 1.00 0.38 N ATOM 1301 CA LYS A 82 12.996 14.477 27.160 1.00 0.50 C ATOM 1302 C LYS A 82 13.430 15.848 27.782 1.00 0.48 C ATOM 1303 O LYS A 82 13.268 16.109 28.956 1.00 0.56 O ATOM 1304 CB LYS A 82 14.295 13.740 26.884 1.00 0.70 C ATOM 1305 CG LYS A 82 14.055 12.403 26.242 1.00 0.62 C ATOM 1306 CD LYS A 82 15.470 11.788 26.108 1.00 2.77 C ATOM 1307 CE LYS A 82 15.443 10.671 25.103 1.00 3.26 C ATOM 1308 NZ LYS A 82 14.504 9.667 25.659 1.00 3.02 N ATOM 0 H LYS A 82 12.571 14.432 25.018 1.00 0.38 H new ATOM 0 HA LYS A 82 12.361 13.877 27.812 1.00 0.50 H new ATOM 0 HB2 LYS A 82 14.926 14.347 26.234 1.00 0.70 H new ATOM 0 HB3 LYS A 82 14.840 13.602 27.818 1.00 0.70 H new ATOM 0 HG2 LYS A 82 13.405 11.778 26.854 1.00 0.62 H new ATOM 0 HG3 LYS A 82 13.573 12.508 25.270 1.00 0.62 H new ATOM 0 HD2 LYS A 82 16.182 12.553 25.797 1.00 2.77 H new ATOM 0 HD3 LYS A 82 15.807 11.413 27.074 1.00 2.77 H new ATOM 0 HE2 LYS A 82 15.107 11.026 24.129 1.00 3.26 H new ATOM 0 HE3 LYS A 82 16.436 10.245 24.962 1.00 3.26 H new ATOM 0 HZ1 LYS A 82 14.886 8.712 25.506 1.00 3.02 H new ATOM 0 HZ2 LYS A 82 14.383 9.832 26.679 1.00 3.02 H new ATOM 0 HZ3 LYS A 82 13.583 9.752 25.183 1.00 3.02 H new ATOM 1322 N LYS A 83 13.993 16.695 26.957 1.00 0.45 N ATOM 1323 CA LYS A 83 14.500 18.075 27.333 1.00 0.48 C ATOM 1324 C LYS A 83 13.555 19.059 28.014 1.00 0.53 C ATOM 1325 O LYS A 83 13.900 19.711 28.981 1.00 0.74 O ATOM 1326 CB LYS A 83 15.015 18.783 26.076 1.00 0.54 C ATOM 1327 CG LYS A 83 15.629 20.184 26.392 1.00 0.67 C ATOM 1328 CD LYS A 83 16.806 20.080 27.419 1.00 2.98 C ATOM 1329 CE LYS A 83 17.067 21.442 28.058 1.00 3.53 C ATOM 1330 NZ LYS A 83 15.942 21.729 29.013 1.00 5.92 N ATOM 0 H LYS A 83 14.135 16.478 25.970 1.00 0.45 H new ATOM 0 HA LYS A 83 15.249 17.835 28.087 1.00 0.48 H new ATOM 0 HB2 LYS A 83 15.768 18.160 25.594 1.00 0.54 H new ATOM 0 HB3 LYS A 83 14.196 18.900 25.367 1.00 0.54 H new ATOM 0 HG2 LYS A 83 15.989 20.640 25.470 1.00 0.67 H new ATOM 0 HG3 LYS A 83 14.855 20.840 26.790 1.00 0.67 H new ATOM 0 HD2 LYS A 83 16.563 19.349 28.190 1.00 2.98 H new ATOM 0 HD3 LYS A 83 17.707 19.727 26.917 1.00 2.98 H new ATOM 0 HE2 LYS A 83 18.022 21.440 28.583 1.00 3.53 H new ATOM 0 HE3 LYS A 83 17.125 22.217 27.294 1.00 3.53 H new ATOM 0 HZ1 LYS A 83 15.487 22.627 28.753 1.00 5.92 H new ATOM 0 HZ2 LYS A 83 15.243 20.961 28.967 1.00 5.92 H new ATOM 0 HZ3 LYS A 83 16.317 21.798 29.981 1.00 5.92 H new ATOM 1344 N TYR A 84 12.428 19.125 27.390 1.00 0.38 N ATOM 1345 CA TYR A 84 11.292 20.004 27.823 1.00 0.40 C ATOM 1346 C TYR A 84 10.091 19.282 28.471 1.00 0.87 C ATOM 1347 O TYR A 84 9.379 19.918 29.229 1.00 1.80 O ATOM 1348 CB TYR A 84 10.758 20.802 26.611 1.00 0.80 C ATOM 1349 CG TYR A 84 11.852 21.667 25.971 1.00 0.93 C ATOM 1350 CD1 TYR A 84 12.158 22.893 26.525 1.00 0.82 C ATOM 1351 CD2 TYR A 84 12.543 21.252 24.842 1.00 1.45 C ATOM 1352 CE1 TYR A 84 13.125 23.691 25.973 1.00 1.03 C ATOM 1353 CE2 TYR A 84 13.519 22.064 24.292 1.00 1.82 C ATOM 1354 CZ TYR A 84 13.804 23.287 24.864 1.00 1.57 C ATOM 1355 OH TYR A 84 14.752 24.137 24.346 1.00 1.96 O ATOM 0 H TYR A 84 12.225 18.581 26.551 1.00 0.38 H new ATOM 0 HA TYR A 84 11.725 20.640 28.595 1.00 0.40 H new ATOM 0 HB2 TYR A 84 10.360 20.111 25.868 1.00 0.80 H new ATOM 0 HB3 TYR A 84 9.932 21.438 26.930 1.00 0.80 H new ATOM 0 HD1 TYR A 84 11.629 23.228 27.405 1.00 0.82 H new ATOM 0 HD2 TYR A 84 12.319 20.296 24.393 1.00 1.45 H new ATOM 0 HE1 TYR A 84 13.350 24.648 26.421 1.00 1.03 H new ATOM 0 HE2 TYR A 84 14.058 21.740 23.414 1.00 1.82 H new ATOM 0 HH TYR A 84 14.979 23.857 23.435 1.00 1.96 H new