USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 526 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 40 ASN : amide:sc= -1.53 K(o=-1.9,f=-0.48) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.306 USER MOD Set 1.3: A 67 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 1.22 (180deg=0.00915) USER MOD Single : A 11 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.49) USER MOD Single : A 13 THR OG1 : rot -72:sc= 0.767 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -133:sc= -0.539 (180deg=-1.02) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.021) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -0.344 (180deg=-1.34) USER MOD Single : A 29 MET CE :methyl 166:sc= -0.0568 (180deg=-0.401) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -0.0138 (180deg=-0.0954) USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= -0.39! (180deg=-3.64!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 93:sc= 0.204 USER MOD Single : A 56 SER OG : rot 180:sc= 0.327 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.416 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 79 THR OG1 : rot 49:sc= 0.28 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 88:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 3 10.376 0.951 -5.799 1.00 0.94 N ATOM 46 CA PHE A 3 10.186 1.489 -4.440 1.00 0.64 C ATOM 47 C PHE A 3 10.533 0.503 -3.324 1.00 0.52 C ATOM 48 O PHE A 3 10.050 0.643 -2.200 1.00 0.46 O ATOM 49 CB PHE A 3 8.766 2.065 -4.240 1.00 1.16 C ATOM 50 CG PHE A 3 7.607 1.082 -4.231 1.00 0.79 C ATOM 51 CD1 PHE A 3 7.524 0.069 -3.286 1.00 0.86 C ATOM 52 CD2 PHE A 3 6.577 1.207 -5.149 1.00 0.87 C ATOM 53 CE1 PHE A 3 6.451 -0.792 -3.255 1.00 0.71 C ATOM 54 CE2 PHE A 3 5.500 0.343 -5.127 1.00 1.16 C ATOM 55 CZ PHE A 3 5.438 -0.657 -4.178 1.00 0.99 C ATOM 0 HA PHE A 3 10.906 2.304 -4.360 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.753 2.609 -3.296 1.00 1.16 H new ATOM 0 HB3 PHE A 3 8.584 2.793 -5.030 1.00 1.16 H new ATOM 0 HD1 PHE A 3 8.316 -0.046 -2.561 1.00 0.86 H new ATOM 0 HD2 PHE A 3 6.617 1.990 -5.891 1.00 0.87 H new ATOM 0 HE1 PHE A 3 6.403 -1.571 -2.509 1.00 0.71 H new ATOM 0 HE2 PHE A 3 4.707 0.450 -5.852 1.00 1.16 H new ATOM 0 HZ PHE A 3 4.596 -1.333 -4.159 1.00 0.99 H new ATOM 63 N ALA A 4 11.489 -0.373 -3.574 1.00 0.56 N ATOM 64 CA ALA A 4 11.954 -1.290 -2.542 1.00 0.55 C ATOM 65 C ALA A 4 12.575 -0.518 -1.387 1.00 0.57 C ATOM 66 O ALA A 4 12.198 -0.699 -0.222 1.00 0.54 O ATOM 67 CB ALA A 4 12.952 -2.285 -3.114 1.00 0.64 C ATOM 0 H ALA A 4 11.957 -0.471 -4.475 1.00 0.56 H new ATOM 0 HA ALA A 4 11.095 -1.846 -2.167 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.286 -2.960 -2.326 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.477 -2.861 -3.908 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.810 -1.748 -3.519 1.00 0.64 H new ATOM 73 N PHE A 5 13.461 0.410 -1.730 1.00 0.62 N ATOM 74 CA PHE A 5 14.086 1.270 -0.742 1.00 0.66 C ATOM 75 C PHE A 5 13.037 2.117 -0.033 1.00 0.59 C ATOM 76 O PHE A 5 13.017 2.193 1.196 1.00 0.57 O ATOM 77 CB PHE A 5 15.127 2.178 -1.402 1.00 0.79 C ATOM 78 CG PHE A 5 15.722 3.189 -0.461 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.429 2.785 0.659 1.00 1.04 C ATOM 80 CD2 PHE A 5 15.558 4.545 -0.691 1.00 1.20 C ATOM 81 CE1 PHE A 5 16.964 3.714 1.530 1.00 1.46 C ATOM 82 CE2 PHE A 5 16.091 5.478 0.177 1.00 1.56 C ATOM 83 CZ PHE A 5 16.795 5.063 1.288 1.00 1.65 C ATOM 0 H PHE A 5 13.761 0.583 -2.689 1.00 0.62 H new ATOM 0 HA PHE A 5 14.585 0.638 -0.008 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.926 1.562 -1.814 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.664 2.701 -2.239 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.564 1.731 0.854 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.007 4.877 -1.559 1.00 1.20 H new ATOM 0 HE1 PHE A 5 17.514 3.386 2.400 1.00 1.46 H new ATOM 0 HE2 PHE A 5 15.956 6.532 -0.014 1.00 1.56 H new ATOM 0 HZ PHE A 5 17.213 5.791 1.967 1.00 1.65 H new ATOM 91 N GLU A 6 12.171 2.746 -0.821 1.00 0.57 N ATOM 92 CA GLU A 6 11.128 3.614 -0.290 1.00 0.53 C ATOM 93 C GLU A 6 10.244 2.886 0.714 1.00 0.49 C ATOM 94 O GLU A 6 9.979 3.399 1.797 1.00 0.49 O ATOM 95 CB GLU A 6 10.258 4.165 -1.421 1.00 0.57 C ATOM 96 CG GLU A 6 10.864 5.344 -2.165 1.00 0.70 C ATOM 97 CD GLU A 6 12.143 5.006 -2.898 1.00 1.42 C ATOM 98 OE1 GLU A 6 12.167 3.985 -3.614 1.00 2.09 O ATOM 99 OE2 GLU A 6 13.110 5.788 -2.806 1.00 1.97 O ATOM 0 H GLU A 6 12.172 2.669 -1.838 1.00 0.57 H new ATOM 0 HA GLU A 6 11.628 4.436 0.222 1.00 0.53 H new ATOM 0 HB2 GLU A 6 10.061 3.364 -2.134 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.296 4.468 -1.008 1.00 0.57 H new ATOM 0 HG2 GLU A 6 10.135 5.725 -2.880 1.00 0.70 H new ATOM 0 HG3 GLU A 6 11.063 6.147 -1.455 1.00 0.70 H new ATOM 102 N LEU A 7 9.746 1.719 0.332 1.00 0.49 N ATOM 103 CA LEU A 7 8.826 0.977 1.180 1.00 0.51 C ATOM 104 C LEU A 7 9.509 0.523 2.465 1.00 0.53 C ATOM 105 O LEU A 7 8.962 0.688 3.560 1.00 0.56 O ATOM 106 CB LEU A 7 8.255 -0.227 0.431 1.00 0.56 C ATOM 107 CG LEU A 7 7.153 -0.986 1.171 1.00 0.79 C ATOM 108 CD1 LEU A 7 5.987 -0.063 1.489 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.678 -2.171 0.348 1.00 1.45 C ATOM 0 H LEU A 7 9.963 1.267 -0.556 1.00 0.49 H new ATOM 0 HA LEU A 7 8.006 1.644 1.447 1.00 0.51 H new ATOM 0 HB2 LEU A 7 7.861 0.114 -0.526 1.00 0.56 H new ATOM 0 HB3 LEU A 7 9.068 -0.919 0.213 1.00 0.56 H new ATOM 0 HG LEU A 7 7.565 -1.357 2.109 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.213 -0.622 2.015 1.00 1.43 H new ATOM 0 HD12 LEU A 7 6.333 0.757 2.118 1.00 1.43 H new ATOM 0 HD13 LEU A 7 5.577 0.338 0.562 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.894 -2.700 0.890 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.285 -1.818 -0.605 1.00 1.45 H new ATOM 0 HD23 LEU A 7 7.514 -2.847 0.168 1.00 1.45 H new ATOM 119 N ARG A 8 10.717 -0.017 2.336 1.00 0.56 N ATOM 120 CA ARG A 8 11.462 -0.465 3.505 1.00 0.62 C ATOM 121 C ARG A 8 11.780 0.707 4.425 1.00 0.60 C ATOM 122 O ARG A 8 11.618 0.614 5.642 1.00 0.63 O ATOM 123 CB ARG A 8 12.755 -1.174 3.104 1.00 0.70 C ATOM 124 CG ARG A 8 12.534 -2.489 2.376 1.00 1.30 C ATOM 125 CD ARG A 8 13.773 -3.361 2.447 1.00 1.61 C ATOM 126 NE ARG A 8 14.931 -2.746 1.800 1.00 1.92 N ATOM 127 CZ ARG A 8 16.185 -2.916 2.217 1.00 2.84 C ATOM 128 NH1 ARG A 8 16.420 -3.505 3.383 1.00 3.51 N ATOM 129 NH2 ARG A 8 17.193 -2.455 1.487 1.00 3.56 N ATOM 0 H ARG A 8 11.195 -0.153 1.445 1.00 0.56 H new ATOM 0 HA ARG A 8 10.832 -1.176 4.040 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.339 -0.510 2.466 1.00 0.70 H new ATOM 0 HB3 ARG A 8 13.349 -1.360 3.999 1.00 0.70 H new ATOM 0 HG2 ARG A 8 11.688 -3.016 2.817 1.00 1.30 H new ATOM 0 HG3 ARG A 8 12.280 -2.294 1.334 1.00 1.30 H new ATOM 0 HD2 ARG A 8 14.010 -3.564 3.491 1.00 1.61 H new ATOM 0 HD3 ARG A 8 13.565 -4.321 1.975 1.00 1.61 H new ATOM 0 HE ARG A 8 14.770 -2.154 0.985 1.00 1.92 H new ATOM 0 HH11 ARG A 8 15.641 -3.827 3.958 1.00 3.51 H new ATOM 0 HH12 ARG A 8 17.379 -3.636 3.704 1.00 3.51 H new ATOM 0 HH21 ARG A 8 17.007 -1.971 0.608 1.00 3.56 H new ATOM 0 HH22 ARG A 8 18.154 -2.584 1.805 1.00 3.56 H new ATOM 137 N LYS A 9 12.199 1.820 3.836 1.00 0.56 N ATOM 138 CA LYS A 9 12.526 3.010 4.605 1.00 0.56 C ATOM 139 C LYS A 9 11.278 3.566 5.286 1.00 0.50 C ATOM 140 O LYS A 9 11.339 4.034 6.425 1.00 0.50 O ATOM 141 CB LYS A 9 13.165 4.075 3.705 1.00 0.60 C ATOM 142 CG LYS A 9 13.956 5.144 4.454 1.00 1.06 C ATOM 143 CD LYS A 9 15.253 4.588 5.036 1.00 1.67 C ATOM 144 CE LYS A 9 15.015 3.813 6.323 1.00 2.14 C ATOM 145 NZ LYS A 9 16.184 2.980 6.703 1.00 2.75 N ATOM 0 H LYS A 9 12.320 1.922 2.828 1.00 0.56 H new ATOM 0 HA LYS A 9 13.246 2.734 5.375 1.00 0.56 H new ATOM 0 HB2 LYS A 9 13.828 3.582 2.994 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.380 4.561 3.125 1.00 0.60 H new ATOM 0 HG2 LYS A 9 14.185 5.967 3.777 1.00 1.06 H new ATOM 0 HG3 LYS A 9 13.343 5.553 5.257 1.00 1.06 H new ATOM 0 HD2 LYS A 9 15.729 3.936 4.303 1.00 1.67 H new ATOM 0 HD3 LYS A 9 15.944 5.408 5.229 1.00 1.67 H new ATOM 0 HE2 LYS A 9 14.792 4.512 7.129 1.00 2.14 H new ATOM 0 HE3 LYS A 9 14.140 3.174 6.203 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 15.854 2.057 7.051 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 16.794 2.839 5.873 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 16.723 3.460 7.452 1.00 2.75 H new ATOM 151 N ALA A 10 10.147 3.488 4.590 1.00 0.47 N ATOM 152 CA ALA A 10 8.874 3.958 5.126 1.00 0.44 C ATOM 153 C ALA A 10 8.475 3.148 6.350 1.00 0.45 C ATOM 154 O ALA A 10 8.025 3.701 7.346 1.00 0.47 O ATOM 155 CB ALA A 10 7.786 3.892 4.066 1.00 0.44 C ATOM 0 H ALA A 10 10.087 3.101 3.648 1.00 0.47 H new ATOM 0 HA ALA A 10 8.996 4.998 5.427 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.846 4.247 4.487 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.064 4.520 3.219 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.667 2.862 3.730 1.00 0.44 H new ATOM 161 N GLN A 11 8.694 1.841 6.285 1.00 0.47 N ATOM 162 CA GLN A 11 8.412 0.964 7.415 1.00 0.53 C ATOM 163 C GLN A 11 9.349 1.293 8.579 1.00 0.58 C ATOM 164 O GLN A 11 8.928 1.324 9.736 1.00 0.63 O ATOM 165 CB GLN A 11 8.552 -0.504 6.987 1.00 0.59 C ATOM 166 CG GLN A 11 8.066 -1.515 8.021 1.00 1.07 C ATOM 167 CD GLN A 11 9.117 -1.853 9.059 1.00 1.69 C ATOM 168 OE1 GLN A 11 10.210 -2.305 8.724 1.00 2.18 O ATOM 169 NE2 GLN A 11 8.793 -1.642 10.326 1.00 2.44 N ATOM 0 H GLN A 11 9.066 1.365 5.463 1.00 0.47 H new ATOM 0 HA GLN A 11 7.387 1.123 7.750 1.00 0.53 H new ATOM 0 HB2 GLN A 11 7.996 -0.654 6.062 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.600 -0.706 6.765 1.00 0.59 H new ATOM 0 HG2 GLN A 11 7.183 -1.118 8.522 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.760 -2.429 7.512 1.00 1.07 H new ATOM 0 HE21 GLN A 11 7.875 -1.265 10.562 1.00 2.44 H new ATOM 0 HE22 GLN A 11 9.462 -1.856 11.066 1.00 2.44 H new ATOM 174 N ASP A 12 10.612 1.560 8.253 1.00 0.61 N ATOM 175 CA ASP A 12 11.622 1.902 9.257 1.00 0.73 C ATOM 176 C ASP A 12 11.272 3.198 9.983 1.00 0.68 C ATOM 177 O ASP A 12 11.369 3.281 11.209 1.00 0.73 O ATOM 178 CB ASP A 12 12.998 2.072 8.604 1.00 0.92 C ATOM 179 CG ASP A 12 13.634 0.771 8.150 1.00 0.95 C ATOM 180 OD1 ASP A 12 13.067 -0.301 8.454 1.00 1.32 O ATOM 181 OD2 ASP A 12 14.681 0.808 7.473 1.00 1.43 O ATOM 0 H ASP A 12 10.964 1.546 7.296 1.00 0.61 H new ATOM 0 HA ASP A 12 11.646 1.082 9.975 1.00 0.73 H new ATOM 0 HB2 ASP A 12 12.901 2.736 7.745 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.666 2.563 9.312 1.00 0.92 H new ATOM 184 N THR A 13 10.966 4.232 9.213 1.00 0.64 N ATOM 185 CA THR A 13 10.713 5.553 9.771 1.00 0.68 C ATOM 186 C THR A 13 9.295 5.671 10.323 1.00 0.58 C ATOM 187 O THR A 13 9.094 6.058 11.477 1.00 0.95 O ATOM 188 CB THR A 13 10.956 6.655 8.718 1.00 0.96 C ATOM 189 OG1 THR A 13 10.298 6.319 7.487 1.00 1.96 O ATOM 190 CG2 THR A 13 12.443 6.838 8.463 1.00 1.02 C ATOM 0 H THR A 13 10.887 4.182 8.197 1.00 0.64 H new ATOM 0 HA THR A 13 11.413 5.689 10.595 1.00 0.68 H new ATOM 0 HB THR A 13 10.547 7.588 9.105 1.00 0.96 H new ATOM 0 HG1 THR A 13 10.778 5.585 7.050 1.00 1.96 H new ATOM 0 HG21 THR A 13 12.591 7.619 7.718 1.00 1.02 H new ATOM 0 HG22 THR A 13 12.939 7.123 9.391 1.00 1.02 H new ATOM 0 HG23 THR A 13 12.867 5.903 8.097 1.00 1.02 H new ATOM 198 N GLY A 14 8.324 5.319 9.500 1.00 0.59 N ATOM 199 CA GLY A 14 6.941 5.369 9.907 1.00 0.55 C ATOM 200 C GLY A 14 6.404 4.004 10.265 1.00 0.50 C ATOM 201 O GLY A 14 6.931 3.334 11.157 1.00 0.64 O ATOM 0 H GLY A 14 8.473 4.995 8.544 1.00 0.59 H new ATOM 0 HA2 GLY A 14 6.840 6.034 10.765 1.00 0.55 H new ATOM 0 HA3 GLY A 14 6.342 5.794 9.102 1.00 0.55 H new ATOM 205 N LYS A 15 5.372 3.579 9.552 1.00 0.47 N ATOM 206 CA LYS A 15 4.755 2.285 9.794 1.00 0.55 C ATOM 207 C LYS A 15 3.935 1.852 8.588 1.00 0.41 C ATOM 208 O LYS A 15 3.141 2.631 8.051 1.00 0.42 O ATOM 209 CB LYS A 15 3.862 2.350 11.038 1.00 0.85 C ATOM 210 CG LYS A 15 3.236 1.018 11.420 1.00 1.63 C ATOM 211 CD LYS A 15 2.447 1.129 12.714 1.00 2.21 C ATOM 212 CE LYS A 15 3.347 1.511 13.877 1.00 2.74 C ATOM 213 NZ LYS A 15 2.586 1.679 15.141 1.00 3.52 N ATOM 0 H LYS A 15 4.943 4.115 8.798 1.00 0.47 H new ATOM 0 HA LYS A 15 5.544 1.552 9.961 1.00 0.55 H new ATOM 0 HB2 LYS A 15 4.452 2.716 11.878 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.068 3.077 10.865 1.00 0.85 H new ATOM 0 HG2 LYS A 15 2.579 0.680 10.619 1.00 1.63 H new ATOM 0 HG3 LYS A 15 4.017 0.265 11.531 1.00 1.63 H new ATOM 0 HD2 LYS A 15 1.660 1.875 12.600 1.00 2.21 H new ATOM 0 HD3 LYS A 15 1.957 0.179 12.927 1.00 2.21 H new ATOM 0 HE2 LYS A 15 4.109 0.743 14.012 1.00 2.74 H new ATOM 0 HE3 LYS A 15 3.868 2.439 13.642 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 3.239 1.939 15.907 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 1.876 2.429 15.022 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 2.109 0.786 15.381 1.00 3.52 H new ATOM 219 N ILE A 16 4.127 0.609 8.173 1.00 0.40 N ATOM 220 CA ILE A 16 3.390 0.050 7.050 1.00 0.37 C ATOM 221 C ILE A 16 2.477 -1.067 7.537 1.00 0.38 C ATOM 222 O ILE A 16 2.934 -2.013 8.178 1.00 0.48 O ATOM 223 CB ILE A 16 4.340 -0.513 5.968 1.00 0.51 C ATOM 224 CG1 ILE A 16 5.350 0.551 5.521 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.545 -1.027 4.774 1.00 0.63 C ATOM 226 CD1 ILE A 16 4.717 1.801 4.947 1.00 0.99 C ATOM 0 H ILE A 16 4.792 -0.036 8.601 1.00 0.40 H new ATOM 0 HA ILE A 16 2.802 0.855 6.608 1.00 0.37 H new ATOM 0 HB ILE A 16 4.892 -1.346 6.402 1.00 0.51 H new ATOM 0 HG12 ILE A 16 5.970 0.829 6.373 1.00 0.59 H new ATOM 0 HG13 ILE A 16 6.013 0.116 4.773 1.00 0.59 H new ATOM 0 HG21 ILE A 16 4.230 -1.419 4.022 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.871 -1.819 5.100 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.965 -0.210 4.345 1.00 0.63 H new ATOM 0 HD11 ILE A 16 5.498 2.503 4.655 1.00 0.99 H new ATOM 0 HD12 ILE A 16 4.120 1.538 4.074 1.00 0.99 H new ATOM 0 HD13 ILE A 16 4.077 2.263 5.699 1.00 0.99 H new ATOM 236 N VAL A 17 1.192 -0.958 7.234 1.00 0.36 N ATOM 237 CA VAL A 17 0.230 -1.982 7.615 1.00 0.37 C ATOM 238 C VAL A 17 0.130 -3.038 6.521 1.00 0.37 C ATOM 239 O VAL A 17 -0.366 -2.764 5.431 1.00 0.59 O ATOM 240 CB VAL A 17 -1.168 -1.381 7.877 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.151 -2.457 8.319 1.00 0.83 C ATOM 242 CG2 VAL A 17 -1.079 -0.274 8.913 1.00 1.04 C ATOM 0 H VAL A 17 0.791 -0.170 6.725 1.00 0.36 H new ATOM 0 HA VAL A 17 0.584 -2.438 8.539 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.538 -0.955 6.945 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.128 -2.007 8.497 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.237 -3.214 7.539 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.793 -2.922 9.238 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -2.072 0.141 9.088 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.685 -0.679 9.845 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.416 0.512 8.550 1.00 1.04 H new ATOM 252 N MET A 18 0.659 -4.217 6.797 1.00 0.32 N ATOM 253 CA MET A 18 0.678 -5.302 5.823 1.00 0.42 C ATOM 254 C MET A 18 -0.539 -6.203 5.992 1.00 0.63 C ATOM 255 O MET A 18 -0.858 -6.617 7.107 1.00 0.87 O ATOM 256 CB MET A 18 1.952 -6.130 5.989 1.00 0.74 C ATOM 257 CG MET A 18 3.230 -5.315 5.890 1.00 1.20 C ATOM 258 SD MET A 18 4.704 -6.290 6.241 1.00 1.77 S ATOM 259 CE MET A 18 4.397 -6.762 7.941 1.00 2.03 C ATOM 0 H MET A 18 1.085 -4.451 7.694 1.00 0.32 H new ATOM 0 HA MET A 18 0.654 -4.865 4.825 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.925 -6.630 6.957 1.00 0.74 H new ATOM 0 HB3 MET A 18 1.969 -6.910 5.227 1.00 0.74 H new ATOM 0 HG2 MET A 18 3.309 -4.891 4.889 1.00 1.20 H new ATOM 0 HG3 MET A 18 3.178 -4.479 6.587 1.00 1.20 H new ATOM 0 HE1 MET A 18 5.295 -6.589 8.534 1.00 2.03 H new ATOM 0 HE2 MET A 18 3.577 -6.166 8.342 1.00 2.03 H new ATOM 0 HE3 MET A 18 4.132 -7.819 7.983 1.00 2.03 H new ATOM 265 N GLY A 19 -1.208 -6.518 4.891 1.00 0.70 N ATOM 266 CA GLY A 19 -2.361 -7.392 4.956 1.00 1.09 C ATOM 267 C GLY A 19 -3.317 -7.176 3.808 1.00 0.88 C ATOM 268 O GLY A 19 -2.920 -7.200 2.642 1.00 1.71 O ATOM 0 H GLY A 19 -0.973 -6.184 3.956 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.027 -8.429 4.956 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -2.885 -7.227 5.897 1.00 1.09 H new ATOM 272 N ALA A 20 -4.579 -6.959 4.144 1.00 0.76 N ATOM 273 CA ALA A 20 -5.612 -6.708 3.154 1.00 0.53 C ATOM 274 C ALA A 20 -6.857 -6.139 3.821 1.00 0.48 C ATOM 275 O ALA A 20 -7.245 -5.005 3.552 1.00 0.49 O ATOM 276 CB ALA A 20 -5.952 -7.982 2.396 1.00 0.67 C ATOM 0 H ALA A 20 -4.914 -6.952 5.107 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.233 -5.976 2.440 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -6.728 -7.771 1.660 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -5.061 -8.352 1.889 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.311 -8.737 3.096 1.00 0.67 H new ATOM 282 N ARG A 21 -7.431 -6.895 4.750 1.00 0.50 N ATOM 283 CA ARG A 21 -8.606 -6.434 5.482 1.00 0.54 C ATOM 284 C ARG A 21 -8.257 -5.251 6.380 1.00 0.49 C ATOM 285 O ARG A 21 -9.031 -4.304 6.497 1.00 0.54 O ATOM 286 CB ARG A 21 -9.228 -7.567 6.304 1.00 0.66 C ATOM 287 CG ARG A 21 -8.322 -8.128 7.389 1.00 1.48 C ATOM 288 CD ARG A 21 -9.035 -9.188 8.208 1.00 1.94 C ATOM 289 NE ARG A 21 -10.189 -8.640 8.917 1.00 2.79 N ATOM 290 CZ ARG A 21 -11.055 -9.376 9.605 1.00 3.74 C ATOM 291 NH1 ARG A 21 -10.955 -10.699 9.604 1.00 4.12 N ATOM 292 NH2 ARG A 21 -12.037 -8.783 10.274 1.00 4.68 N ATOM 0 H ARG A 21 -7.105 -7.825 5.014 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.343 -6.105 4.750 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -10.145 -7.202 6.766 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.510 -8.376 5.630 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -7.429 -8.556 6.934 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -7.991 -7.321 8.043 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -9.361 -9.996 7.553 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -8.339 -9.622 8.926 1.00 1.94 H new ATOM 0 HE ARG A 21 -10.339 -7.632 8.882 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -10.212 -11.154 9.074 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -11.621 -11.261 10.133 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -12.124 -7.767 10.258 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -12.704 -9.344 10.804 1.00 4.68 H new ATOM 300 N LYS A 22 -7.063 -5.277 6.966 1.00 0.46 N ATOM 301 CA LYS A 22 -6.604 -4.170 7.797 1.00 0.49 C ATOM 302 C LYS A 22 -6.400 -2.916 6.955 1.00 0.47 C ATOM 303 O LYS A 22 -6.664 -1.803 7.409 1.00 0.49 O ATOM 304 CB LYS A 22 -5.312 -4.529 8.536 1.00 0.50 C ATOM 305 CG LYS A 22 -5.522 -5.493 9.693 1.00 0.80 C ATOM 306 CD LYS A 22 -4.250 -5.671 10.505 1.00 1.14 C ATOM 307 CE LYS A 22 -4.494 -6.496 11.760 1.00 1.61 C ATOM 308 NZ LYS A 22 -4.906 -7.890 11.448 1.00 1.91 N ATOM 0 H LYS A 22 -6.400 -6.048 6.881 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.375 -3.971 8.541 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.609 -4.970 7.829 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.853 -3.615 8.914 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -6.318 -5.121 10.338 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.848 -6.459 9.309 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -3.492 -6.158 9.891 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.856 -4.693 10.783 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -3.586 -6.514 12.362 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -5.266 -6.017 12.362 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -5.011 -8.427 12.332 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -5.813 -7.878 10.940 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -4.182 -8.341 10.853 1.00 1.91 H new ATOM 314 N SER A 23 -6.035 -3.112 5.694 1.00 0.46 N ATOM 315 CA SER A 23 -5.919 -2.005 4.761 1.00 0.48 C ATOM 316 C SER A 23 -7.302 -1.415 4.493 1.00 0.48 C ATOM 317 O SER A 23 -7.465 -0.199 4.457 1.00 0.50 O ATOM 318 CB SER A 23 -5.261 -2.469 3.457 1.00 0.52 C ATOM 319 OG SER A 23 -4.997 -1.377 2.593 1.00 1.14 O ATOM 0 H SER A 23 -5.815 -4.026 5.297 1.00 0.46 H new ATOM 0 HA SER A 23 -5.286 -1.233 5.198 1.00 0.48 H new ATOM 0 HB2 SER A 23 -4.330 -2.989 3.683 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.912 -3.184 2.954 1.00 0.52 H new ATOM 0 HG SER A 23 -4.576 -1.705 1.771 1.00 1.14 H new ATOM 323 N ILE A 24 -8.308 -2.285 4.416 1.00 0.49 N ATOM 324 CA ILE A 24 -9.692 -1.849 4.269 1.00 0.52 C ATOM 325 C ILE A 24 -10.135 -1.082 5.513 1.00 0.49 C ATOM 326 O ILE A 24 -10.778 -0.034 5.419 1.00 0.52 O ATOM 327 CB ILE A 24 -10.645 -3.046 4.042 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.169 -3.889 2.855 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.068 -2.559 3.809 1.00 0.60 C ATOM 330 CD1 ILE A 24 -10.998 -5.132 2.617 1.00 0.66 C ATOM 0 H ILE A 24 -8.188 -3.297 4.453 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.741 -1.200 3.395 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.636 -3.668 4.937 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.186 -3.274 1.955 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.132 -4.181 3.022 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.724 -3.415 3.651 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.407 -1.997 4.679 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.093 -1.916 2.929 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.600 -5.676 1.761 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.961 -5.769 3.501 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -12.031 -4.848 2.418 1.00 0.66 H new ATOM 340 N GLN A 25 -9.744 -1.594 6.673 1.00 0.47 N ATOM 341 CA GLN A 25 -10.048 -0.957 7.948 1.00 0.49 C ATOM 342 C GLN A 25 -9.448 0.446 8.004 1.00 0.44 C ATOM 343 O GLN A 25 -10.142 1.417 8.311 1.00 0.47 O ATOM 344 CB GLN A 25 -9.503 -1.807 9.098 1.00 0.54 C ATOM 345 CG GLN A 25 -9.710 -1.195 10.474 1.00 0.81 C ATOM 346 CD GLN A 25 -9.050 -2.003 11.571 1.00 1.35 C ATOM 347 OE1 GLN A 25 -9.411 -3.157 11.816 1.00 2.19 O ATOM 348 NE2 GLN A 25 -8.076 -1.408 12.237 1.00 1.75 N ATOM 0 H GLN A 25 -9.210 -2.459 6.757 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.130 -0.874 8.046 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -9.983 -2.785 9.071 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.437 -1.970 8.941 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.309 -0.181 10.482 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -10.778 -1.117 10.677 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -7.808 -0.452 12.003 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -7.592 -1.905 12.985 1.00 1.75 H new ATOM 353 N TYR A 26 -8.173 0.552 7.644 1.00 0.41 N ATOM 354 CA TYR A 26 -7.493 1.840 7.604 1.00 0.42 C ATOM 355 C TYR A 26 -8.104 2.748 6.544 1.00 0.42 C ATOM 356 O TYR A 26 -8.167 3.963 6.729 1.00 0.46 O ATOM 357 CB TYR A 26 -5.993 1.666 7.358 1.00 0.43 C ATOM 358 CG TYR A 26 -5.189 1.463 8.627 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.479 0.428 9.509 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.148 2.324 8.949 1.00 0.56 C ATOM 361 CE1 TYR A 26 -4.745 0.251 10.668 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.412 2.154 10.104 1.00 0.62 C ATOM 363 CZ TYR A 26 -3.714 1.118 10.962 1.00 0.57 C ATOM 364 OH TYR A 26 -2.975 0.946 12.110 1.00 0.66 O ATOM 0 H TYR A 26 -7.590 -0.241 7.376 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.625 2.312 8.578 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -5.838 0.812 6.699 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.615 2.544 6.835 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.291 -0.249 9.286 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -3.910 3.141 8.284 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -4.978 -0.562 11.339 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -2.602 2.830 10.335 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.288 1.642 12.164 1.00 0.66 H new ATOM 372 N ALA A 27 -8.578 2.151 5.456 1.00 0.40 N ATOM 373 CA ALA A 27 -9.240 2.902 4.395 1.00 0.44 C ATOM 374 C ALA A 27 -10.519 3.547 4.917 1.00 0.48 C ATOM 375 O ALA A 27 -10.778 4.720 4.658 1.00 0.55 O ATOM 376 CB ALA A 27 -9.542 2.003 3.205 1.00 0.47 C ATOM 0 H ALA A 27 -8.516 1.147 5.285 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.565 3.691 4.062 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -10.036 2.584 2.426 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.611 1.590 2.815 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.196 1.190 3.520 1.00 0.47 H new ATOM 382 N LYS A 28 -11.270 2.795 5.723 1.00 0.48 N ATOM 383 CA LYS A 28 -12.474 3.320 6.363 1.00 0.56 C ATOM 384 C LYS A 28 -12.116 4.452 7.324 1.00 0.62 C ATOM 385 O LYS A 28 -12.772 5.495 7.352 1.00 0.73 O ATOM 386 CB LYS A 28 -13.211 2.223 7.142 1.00 0.58 C ATOM 387 CG LYS A 28 -13.864 1.152 6.281 1.00 1.02 C ATOM 388 CD LYS A 28 -14.816 0.299 7.114 1.00 1.11 C ATOM 389 CE LYS A 28 -15.600 -0.692 6.264 1.00 1.31 C ATOM 390 NZ LYS A 28 -14.831 -1.934 5.985 1.00 2.06 N ATOM 0 H LYS A 28 -11.065 1.821 5.947 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.126 3.696 5.575 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.505 1.743 7.820 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -13.979 2.690 7.759 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.409 1.620 5.461 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -13.097 0.519 5.834 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -14.247 -0.244 7.869 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.512 0.949 7.645 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -16.528 -0.950 6.775 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -15.876 -0.219 5.321 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -14.996 -2.231 5.002 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -13.817 -1.754 6.127 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -15.142 -2.687 6.631 1.00 2.06 H new ATOM 396 N MET A 29 -11.080 4.220 8.124 1.00 0.60 N ATOM 397 CA MET A 29 -10.630 5.189 9.121 1.00 0.73 C ATOM 398 C MET A 29 -10.095 6.457 8.463 1.00 0.75 C ATOM 399 O MET A 29 -10.221 7.553 9.008 1.00 1.07 O ATOM 400 CB MET A 29 -9.528 4.580 9.995 1.00 1.26 C ATOM 401 CG MET A 29 -9.981 3.397 10.835 1.00 1.48 C ATOM 402 SD MET A 29 -8.609 2.565 11.664 1.00 2.39 S ATOM 403 CE MET A 29 -7.976 3.887 12.695 1.00 3.09 C ATOM 0 H MET A 29 -10.531 3.361 8.101 1.00 0.60 H new ATOM 0 HA MET A 29 -11.492 5.448 9.736 1.00 0.73 H new ATOM 0 HB2 MET A 29 -8.706 4.262 9.354 1.00 1.26 H new ATOM 0 HB3 MET A 29 -9.136 5.352 10.657 1.00 1.26 H new ATOM 0 HG2 MET A 29 -10.697 3.740 11.582 1.00 1.48 H new ATOM 0 HG3 MET A 29 -10.502 2.683 10.198 1.00 1.48 H new ATOM 0 HE1 MET A 29 -7.298 3.473 13.441 1.00 3.09 H new ATOM 0 HE2 MET A 29 -7.440 4.606 12.076 1.00 3.09 H new ATOM 0 HE3 MET A 29 -8.805 4.387 13.196 1.00 3.09 H new ATOM 409 N GLY A 30 -9.378 6.278 7.365 1.00 0.77 N ATOM 410 CA GLY A 30 -8.695 7.386 6.731 1.00 1.31 C ATOM 411 C GLY A 30 -7.436 7.761 7.485 1.00 0.87 C ATOM 412 O GLY A 30 -7.023 8.917 7.490 1.00 1.43 O ATOM 0 H GLY A 30 -9.256 5.379 6.899 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.441 7.120 5.705 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.362 8.247 6.682 1.00 1.31 H new ATOM 416 N GLY A 31 -6.846 6.775 8.150 1.00 0.71 N ATOM 417 CA GLY A 31 -5.652 7.014 8.936 1.00 1.01 C ATOM 418 C GLY A 31 -4.390 6.958 8.103 1.00 1.00 C ATOM 419 O GLY A 31 -3.461 7.738 8.312 1.00 1.67 O ATOM 0 H GLY A 31 -7.176 5.810 8.158 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.725 7.991 9.414 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -5.591 6.273 9.733 1.00 1.01 H new ATOM 423 N ALA A 32 -4.354 6.021 7.167 1.00 0.55 N ATOM 424 CA ALA A 32 -3.203 5.849 6.295 1.00 0.47 C ATOM 425 C ALA A 32 -3.120 6.976 5.274 1.00 0.42 C ATOM 426 O ALA A 32 -4.121 7.344 4.658 1.00 0.45 O ATOM 427 CB ALA A 32 -3.268 4.499 5.595 1.00 0.45 C ATOM 0 H ALA A 32 -5.115 5.364 6.992 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.302 5.882 6.908 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -2.400 4.384 4.946 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.272 3.703 6.340 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.178 4.442 4.998 1.00 0.45 H new ATOM 433 N LYS A 33 -1.919 7.506 5.087 1.00 0.43 N ATOM 434 CA LYS A 33 -1.696 8.569 4.119 1.00 0.45 C ATOM 435 C LYS A 33 -1.687 8.018 2.701 1.00 0.40 C ATOM 436 O LYS A 33 -2.111 8.693 1.766 1.00 0.43 O ATOM 437 CB LYS A 33 -0.385 9.305 4.404 1.00 0.54 C ATOM 438 CG LYS A 33 -0.451 10.211 5.621 1.00 1.19 C ATOM 439 CD LYS A 33 0.813 11.045 5.765 1.00 1.27 C ATOM 440 CE LYS A 33 1.057 11.916 4.539 1.00 1.41 C ATOM 441 NZ LYS A 33 -0.051 12.878 4.300 1.00 1.85 N ATOM 0 H LYS A 33 -1.083 7.216 5.594 1.00 0.43 H new ATOM 0 HA LYS A 33 -2.518 9.278 4.212 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.409 8.573 4.549 1.00 0.54 H new ATOM 0 HB3 LYS A 33 -0.115 9.900 3.532 1.00 0.54 H new ATOM 0 HG2 LYS A 33 -1.315 10.870 5.539 1.00 1.19 H new ATOM 0 HG3 LYS A 33 -0.594 9.608 6.518 1.00 1.19 H new ATOM 0 HD2 LYS A 33 0.733 11.677 6.650 1.00 1.27 H new ATOM 0 HD3 LYS A 33 1.668 10.386 5.919 1.00 1.27 H new ATOM 0 HE2 LYS A 33 1.990 12.465 4.666 1.00 1.41 H new ATOM 0 HE3 LYS A 33 1.178 11.280 3.662 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 0.225 13.547 3.554 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -0.902 12.360 4.003 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -0.252 13.400 5.176 1.00 1.85 H new ATOM 447 N LEU A 34 -1.185 6.800 2.546 1.00 0.36 N ATOM 448 CA LEU A 34 -1.090 6.171 1.232 1.00 0.34 C ATOM 449 C LEU A 34 -1.463 4.698 1.322 1.00 0.32 C ATOM 450 O LEU A 34 -1.194 4.054 2.328 1.00 0.49 O ATOM 451 CB LEU A 34 0.339 6.303 0.691 1.00 0.40 C ATOM 452 CG LEU A 34 0.584 5.658 -0.676 1.00 0.51 C ATOM 453 CD1 LEU A 34 0.070 6.553 -1.793 1.00 1.06 C ATOM 454 CD2 LEU A 34 2.057 5.350 -0.865 1.00 0.99 C ATOM 0 H LEU A 34 -0.837 6.226 3.314 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.782 6.673 0.556 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.588 7.362 0.624 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.025 5.859 1.412 1.00 0.40 H new ATOM 0 HG LEU A 34 0.033 4.718 -0.715 1.00 0.51 H new ATOM 0 HD11 LEU A 34 0.254 6.076 -2.756 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.001 6.714 -1.667 1.00 1.06 H new ATOM 0 HD13 LEU A 34 0.588 7.512 -1.758 1.00 1.06 H new ATOM 0 HD21 LEU A 34 2.211 4.892 -1.842 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.633 6.273 -0.802 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.388 4.663 -0.086 1.00 0.99 H new ATOM 464 N ILE A 35 -2.033 4.151 0.257 1.00 0.26 N ATOM 465 CA ILE A 35 -2.344 2.727 0.213 1.00 0.23 C ATOM 466 C ILE A 35 -1.906 2.138 -1.123 1.00 0.24 C ATOM 467 O ILE A 35 -2.164 2.716 -2.174 1.00 0.31 O ATOM 468 CB ILE A 35 -3.851 2.453 0.428 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.290 2.916 1.822 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.152 0.971 0.241 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.765 2.709 2.102 1.00 0.30 C ATOM 0 H ILE A 35 -2.289 4.668 -0.584 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.798 2.251 1.028 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.413 3.019 -0.315 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.709 2.379 2.572 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.054 3.974 1.934 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.216 0.794 0.395 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.877 0.668 -0.769 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.579 0.389 0.963 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -5.997 3.061 3.107 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.355 3.268 1.376 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.005 1.649 2.024 1.00 0.30 H new ATOM 481 N ILE A 36 -1.230 1.000 -1.079 1.00 0.22 N ATOM 482 CA ILE A 36 -0.769 0.337 -2.293 1.00 0.25 C ATOM 483 C ILE A 36 -1.377 -1.056 -2.395 1.00 0.24 C ATOM 484 O ILE A 36 -1.374 -1.813 -1.425 1.00 0.25 O ATOM 485 CB ILE A 36 0.775 0.229 -2.333 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.405 1.623 -2.252 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.236 -0.488 -3.597 1.00 0.34 C ATOM 488 CD1 ILE A 36 2.917 1.607 -2.231 1.00 0.40 C ATOM 0 H ILE A 36 -0.987 0.515 -0.215 1.00 0.22 H new ATOM 0 HA ILE A 36 -1.092 0.943 -3.140 1.00 0.25 H new ATOM 0 HB ILE A 36 1.100 -0.355 -1.472 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.069 2.214 -3.104 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.043 2.124 -1.354 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.324 -0.552 -3.603 1.00 0.34 H new ATOM 0 HG22 ILE A 36 0.813 -1.492 -3.620 1.00 0.34 H new ATOM 0 HG23 ILE A 36 0.900 0.067 -4.473 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.291 2.629 -2.173 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.263 1.044 -1.364 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.289 1.136 -3.141 1.00 0.40 H new ATOM 498 N VAL A 37 -1.905 -1.385 -3.567 1.00 0.25 N ATOM 499 CA VAL A 37 -2.513 -2.690 -3.791 1.00 0.25 C ATOM 500 C VAL A 37 -1.817 -3.429 -4.932 1.00 0.23 C ATOM 501 O VAL A 37 -1.562 -2.855 -5.992 1.00 0.26 O ATOM 502 CB VAL A 37 -4.026 -2.578 -4.095 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.781 -2.071 -2.877 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.281 -1.674 -5.293 1.00 0.31 C ATOM 0 H VAL A 37 -1.924 -0.766 -4.377 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.390 -3.256 -2.868 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.392 -3.575 -4.341 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.843 -1.999 -3.111 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.638 -2.763 -2.047 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.404 -1.087 -2.599 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.353 -1.615 -5.482 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.893 -0.677 -5.085 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.780 -2.083 -6.170 1.00 0.31 H new ATOM 514 N ALA A 38 -1.527 -4.706 -4.711 1.00 0.20 N ATOM 515 CA ALA A 38 -0.908 -5.549 -5.727 1.00 0.21 C ATOM 516 C ALA A 38 -1.891 -5.820 -6.863 1.00 0.27 C ATOM 517 O ALA A 38 -3.090 -5.977 -6.631 1.00 0.33 O ATOM 518 CB ALA A 38 -0.444 -6.857 -5.105 1.00 0.26 C ATOM 0 H ALA A 38 -1.713 -5.184 -3.829 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.043 -5.028 -6.137 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.017 -7.481 -5.871 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.283 -6.649 -4.320 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.299 -7.380 -4.678 1.00 0.26 H new ATOM 524 N ARG A 39 -1.393 -5.820 -8.092 1.00 0.41 N ATOM 525 CA ARG A 39 -2.247 -6.035 -9.255 1.00 0.56 C ATOM 526 C ARG A 39 -2.891 -7.419 -9.215 1.00 0.54 C ATOM 527 O ARG A 39 -4.042 -7.591 -9.612 1.00 0.60 O ATOM 528 CB ARG A 39 -1.451 -5.856 -10.549 1.00 0.77 C ATOM 529 CG ARG A 39 -0.207 -6.722 -10.637 1.00 0.96 C ATOM 530 CD ARG A 39 0.500 -6.535 -11.966 1.00 1.49 C ATOM 531 NE ARG A 39 1.804 -7.193 -11.997 1.00 2.48 N ATOM 532 CZ ARG A 39 1.987 -8.514 -12.047 1.00 3.10 C ATOM 533 NH1 ARG A 39 0.949 -9.337 -12.148 1.00 3.10 N ATOM 534 NH2 ARG A 39 3.215 -9.013 -12.021 1.00 4.14 N ATOM 0 H ARG A 39 -0.407 -5.674 -8.310 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.042 -5.289 -9.229 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -2.099 -6.083 -11.396 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.160 -4.810 -10.642 1.00 0.77 H new ATOM 0 HG2 ARG A 39 0.472 -6.471 -9.822 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.481 -7.770 -10.512 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -0.124 -6.932 -12.766 1.00 1.49 H new ATOM 0 HD3 ARG A 39 0.628 -5.470 -12.160 1.00 1.49 H new ATOM 0 HE ARG A 39 2.634 -6.600 -11.979 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.002 -8.961 -12.188 1.00 3.10 H new ATOM 0 HH12 ARG A 39 1.099 -10.345 -12.186 1.00 3.10 H new ATOM 0 HH21 ARG A 39 4.019 -8.387 -11.963 1.00 4.14 H new ATOM 0 HH22 ARG A 39 3.356 -10.022 -12.059 1.00 4.14 H new ATOM 542 N ASN A 40 -2.150 -8.398 -8.708 1.00 0.55 N ATOM 543 CA ASN A 40 -2.650 -9.766 -8.603 1.00 0.64 C ATOM 544 C ASN A 40 -3.287 -10.002 -7.230 1.00 0.58 C ATOM 545 O ASN A 40 -3.161 -11.078 -6.645 1.00 0.87 O ATOM 546 CB ASN A 40 -1.509 -10.760 -8.850 1.00 0.81 C ATOM 547 CG ASN A 40 -1.975 -12.184 -9.140 1.00 1.57 C ATOM 548 OD1 ASN A 40 -1.154 -13.094 -9.261 1.00 2.18 O ATOM 549 ND2 ASN A 40 -3.277 -12.388 -9.284 1.00 2.33 N ATOM 0 H ASN A 40 -1.199 -8.270 -8.362 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.417 -9.920 -9.362 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.910 -10.407 -9.689 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -0.857 -10.773 -7.976 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -3.626 -13.321 -9.502 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -3.930 -11.612 -9.177 1.00 2.33 H new ATOM 554 N ALA A 41 -4.027 -9.013 -6.753 1.00 0.46 N ATOM 555 CA ALA A 41 -4.770 -9.148 -5.512 1.00 0.43 C ATOM 556 C ALA A 41 -6.245 -9.343 -5.821 1.00 0.40 C ATOM 557 O ALA A 41 -6.716 -8.933 -6.884 1.00 0.44 O ATOM 558 CB ALA A 41 -4.561 -7.935 -4.618 1.00 0.47 C ATOM 0 H ALA A 41 -4.128 -8.106 -7.209 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.401 -10.021 -4.974 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -5.128 -8.061 -3.696 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.502 -7.835 -4.382 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.904 -7.039 -5.135 1.00 0.47 H new ATOM 564 N ARG A 42 -6.949 -10.022 -4.927 1.00 0.40 N ATOM 565 CA ARG A 42 -8.364 -10.319 -5.118 1.00 0.43 C ATOM 566 C ARG A 42 -9.174 -9.048 -5.339 1.00 0.44 C ATOM 567 O ARG A 42 -9.034 -8.073 -4.595 1.00 0.42 O ATOM 568 CB ARG A 42 -8.920 -11.063 -3.906 1.00 0.50 C ATOM 569 CG ARG A 42 -8.446 -12.501 -3.794 1.00 0.61 C ATOM 570 CD ARG A 42 -8.909 -13.128 -2.492 1.00 1.23 C ATOM 571 NE ARG A 42 -10.363 -13.083 -2.335 1.00 2.10 N ATOM 572 CZ ARG A 42 -10.999 -13.473 -1.231 1.00 2.98 C ATOM 573 NH1 ARG A 42 -10.309 -13.917 -0.185 1.00 3.25 N ATOM 574 NH2 ARG A 42 -12.321 -13.411 -1.171 1.00 3.98 N ATOM 0 H ARG A 42 -6.561 -10.381 -4.055 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.449 -10.946 -6.006 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.636 -10.526 -3.001 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -10.009 -11.053 -3.954 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -8.827 -13.079 -4.636 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -7.358 -12.534 -3.851 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -8.574 -14.165 -2.452 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -8.440 -12.609 -1.656 1.00 1.23 H new ATOM 0 HE ARG A 42 -10.921 -12.734 -3.114 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -9.291 -13.960 -0.227 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -10.798 -14.215 0.659 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -12.852 -13.065 -1.970 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -12.808 -13.710 -0.326 1.00 3.98 H new ATOM 582 N PRO A 43 -10.065 -9.062 -6.343 1.00 0.50 N ATOM 583 CA PRO A 43 -10.950 -7.933 -6.644 1.00 0.58 C ATOM 584 C PRO A 43 -11.788 -7.535 -5.433 1.00 0.60 C ATOM 585 O PRO A 43 -12.013 -6.351 -5.186 1.00 0.64 O ATOM 586 CB PRO A 43 -11.849 -8.457 -7.773 1.00 0.67 C ATOM 587 CG PRO A 43 -11.695 -9.939 -7.751 1.00 0.86 C ATOM 588 CD PRO A 43 -10.309 -10.203 -7.242 1.00 0.55 C ATOM 0 HA PRO A 43 -10.392 -7.039 -6.921 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.888 -8.168 -7.613 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.548 -8.046 -8.737 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -12.442 -10.399 -7.105 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -11.832 -10.360 -8.747 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -10.247 -11.154 -6.713 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -9.581 -10.241 -8.053 1.00 0.55 H new ATOM 590 N ASP A 44 -12.188 -8.539 -4.655 1.00 0.61 N ATOM 591 CA ASP A 44 -12.955 -8.334 -3.426 1.00 0.68 C ATOM 592 C ASP A 44 -12.229 -7.379 -2.482 1.00 0.60 C ATOM 593 O ASP A 44 -12.817 -6.436 -1.954 1.00 0.65 O ATOM 594 CB ASP A 44 -13.152 -9.689 -2.733 1.00 0.77 C ATOM 595 CG ASP A 44 -13.944 -9.617 -1.440 1.00 1.62 C ATOM 596 OD1 ASP A 44 -14.595 -8.588 -1.175 1.00 2.48 O ATOM 597 OD2 ASP A 44 -13.944 -10.621 -0.694 1.00 2.04 O ATOM 0 H ASP A 44 -11.990 -9.519 -4.858 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.919 -7.894 -3.681 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -13.660 -10.365 -3.420 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -12.174 -10.123 -2.523 1.00 0.77 H new ATOM 600 N ILE A 45 -10.936 -7.610 -2.314 1.00 0.50 N ATOM 601 CA ILE A 45 -10.109 -6.788 -1.442 1.00 0.44 C ATOM 602 C ILE A 45 -9.846 -5.417 -2.058 1.00 0.40 C ATOM 603 O ILE A 45 -9.999 -4.387 -1.399 1.00 0.38 O ATOM 604 CB ILE A 45 -8.757 -7.483 -1.157 1.00 0.45 C ATOM 605 CG1 ILE A 45 -8.980 -8.812 -0.429 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.831 -6.577 -0.353 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.640 -8.668 0.925 1.00 0.62 C ATOM 0 H ILE A 45 -10.432 -8.368 -2.775 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.655 -6.656 -0.508 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.275 -7.688 -2.113 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.595 -9.459 -1.055 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.019 -9.311 -0.302 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.889 -7.092 -0.168 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.640 -5.662 -0.914 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.301 -6.328 0.598 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.763 -9.653 1.376 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -9.016 -8.049 1.570 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.617 -8.199 0.806 1.00 0.62 H new ATOM 617 N LYS A 46 -9.384 -5.422 -3.302 1.00 0.45 N ATOM 618 CA LYS A 46 -8.980 -4.198 -3.979 1.00 0.50 C ATOM 619 C LYS A 46 -10.128 -3.203 -4.109 1.00 0.52 C ATOM 620 O LYS A 46 -9.941 -2.007 -3.881 1.00 0.51 O ATOM 621 CB LYS A 46 -8.422 -4.524 -5.363 1.00 0.58 C ATOM 622 CG LYS A 46 -7.089 -5.255 -5.330 1.00 0.59 C ATOM 623 CD LYS A 46 -6.553 -5.546 -6.729 1.00 0.74 C ATOM 624 CE LYS A 46 -6.151 -4.278 -7.477 1.00 1.09 C ATOM 625 NZ LYS A 46 -7.324 -3.539 -8.014 1.00 1.59 N ATOM 0 H LYS A 46 -9.280 -6.266 -3.865 1.00 0.45 H new ATOM 0 HA LYS A 46 -8.207 -3.732 -3.368 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.147 -5.134 -5.903 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -8.304 -3.597 -5.925 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.362 -4.655 -4.782 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.204 -6.192 -4.785 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.690 -6.208 -6.653 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -7.313 -6.077 -7.303 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -5.591 -3.626 -6.806 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -5.484 -4.540 -8.298 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -7.159 -3.306 -9.014 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -8.175 -4.131 -7.932 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -7.459 -2.662 -7.472 1.00 1.59 H new ATOM 631 N GLU A 47 -11.287 -3.681 -4.550 1.00 0.59 N ATOM 632 CA GLU A 47 -12.413 -2.800 -4.833 1.00 0.65 C ATOM 633 C GLU A 47 -12.836 -2.015 -3.595 1.00 0.55 C ATOM 634 O GLU A 47 -13.057 -0.805 -3.676 1.00 0.55 O ATOM 635 CB GLU A 47 -13.598 -3.592 -5.391 1.00 0.79 C ATOM 636 CG GLU A 47 -14.722 -2.710 -5.909 1.00 1.15 C ATOM 637 CD GLU A 47 -15.812 -3.499 -6.600 1.00 1.76 C ATOM 638 OE1 GLU A 47 -16.449 -4.346 -5.935 1.00 2.60 O ATOM 639 OE2 GLU A 47 -16.036 -3.284 -7.810 1.00 2.06 O ATOM 0 H GLU A 47 -11.470 -4.670 -4.719 1.00 0.59 H new ATOM 0 HA GLU A 47 -12.085 -2.085 -5.588 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -13.248 -4.234 -6.199 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.989 -4.245 -4.611 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -15.154 -2.153 -5.078 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -14.312 -1.978 -6.605 1.00 1.15 H new ATOM 642 N ASP A 48 -12.902 -2.686 -2.451 1.00 0.50 N ATOM 643 CA ASP A 48 -13.271 -2.019 -1.204 1.00 0.47 C ATOM 644 C ASP A 48 -12.272 -0.928 -0.846 1.00 0.35 C ATOM 645 O ASP A 48 -12.657 0.203 -0.561 1.00 0.36 O ATOM 646 CB ASP A 48 -13.371 -3.016 -0.047 1.00 0.55 C ATOM 647 CG ASP A 48 -14.728 -3.676 0.049 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.737 -2.954 0.150 1.00 1.21 O ATOM 649 OD2 ASP A 48 -14.802 -4.923 0.001 1.00 1.00 O ATOM 0 H ASP A 48 -12.707 -3.683 -2.359 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.249 -1.566 -1.364 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -12.607 -3.784 -0.170 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -13.157 -2.500 0.889 1.00 0.55 H new ATOM 652 N ILE A 49 -10.991 -1.272 -0.860 1.00 0.29 N ATOM 653 CA ILE A 49 -9.941 -0.328 -0.495 1.00 0.24 C ATOM 654 C ILE A 49 -9.960 0.907 -1.394 1.00 0.26 C ATOM 655 O ILE A 49 -9.978 2.039 -0.907 1.00 0.26 O ATOM 656 CB ILE A 49 -8.545 -0.983 -0.571 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.477 -2.199 0.355 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.465 0.024 -0.204 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.169 -2.957 0.277 1.00 0.36 C ATOM 0 H ILE A 49 -10.653 -2.198 -1.120 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.140 -0.024 0.533 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.374 -1.316 -1.595 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.634 -1.870 1.382 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.294 -2.877 0.109 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.487 -0.454 -0.263 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.500 0.864 -0.897 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.633 0.384 0.811 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.198 -3.804 0.962 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -7.018 -3.318 -0.740 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.348 -2.295 0.553 1.00 0.36 H new ATOM 669 N GLU A 50 -9.956 0.680 -2.700 1.00 0.31 N ATOM 670 CA GLU A 50 -9.925 1.770 -3.669 1.00 0.39 C ATOM 671 C GLU A 50 -11.175 2.646 -3.564 1.00 0.43 C ATOM 672 O GLU A 50 -11.086 3.873 -3.593 1.00 0.48 O ATOM 673 CB GLU A 50 -9.785 1.207 -5.088 1.00 0.46 C ATOM 674 CG GLU A 50 -8.491 0.431 -5.304 1.00 0.61 C ATOM 675 CD GLU A 50 -8.441 -0.277 -6.643 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.496 0.407 -7.686 1.00 1.67 O ATOM 677 OE2 GLU A 50 -8.350 -1.522 -6.664 1.00 1.57 O ATOM 0 H GLU A 50 -9.974 -0.251 -3.115 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.061 2.397 -3.446 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.632 0.553 -5.297 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -9.832 2.028 -5.803 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.646 1.116 -5.230 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.377 -0.303 -4.507 1.00 0.61 H new ATOM 680 N TYR A 51 -12.327 2.009 -3.396 1.00 0.44 N ATOM 681 CA TYR A 51 -13.599 2.718 -3.299 1.00 0.52 C ATOM 682 C TYR A 51 -13.633 3.616 -2.068 1.00 0.47 C ATOM 683 O TYR A 51 -13.982 4.795 -2.152 1.00 0.51 O ATOM 684 CB TYR A 51 -14.750 1.706 -3.251 1.00 0.61 C ATOM 685 CG TYR A 51 -16.128 2.319 -3.121 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.570 3.294 -4.005 1.00 0.78 C ATOM 687 CD2 TYR A 51 -16.990 1.908 -2.114 1.00 0.77 C ATOM 688 CE1 TYR A 51 -17.835 3.839 -3.887 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.254 2.446 -1.992 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.671 3.410 -2.879 1.00 0.91 C ATOM 691 OH TYR A 51 -19.934 3.944 -2.758 1.00 1.03 O ATOM 0 H TYR A 51 -12.407 0.995 -3.323 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.711 3.352 -4.179 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.721 1.100 -4.157 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.587 1.031 -2.411 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -15.916 3.631 -4.796 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.665 1.153 -1.413 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.166 4.597 -4.581 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.913 2.112 -1.204 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.392 3.531 -1.997 1.00 1.03 H new ATOM 699 N TYR A 52 -13.273 3.046 -0.930 1.00 0.43 N ATOM 700 CA TYR A 52 -13.288 3.766 0.336 1.00 0.42 C ATOM 701 C TYR A 52 -12.297 4.924 0.312 1.00 0.38 C ATOM 702 O TYR A 52 -12.600 6.029 0.768 1.00 0.41 O ATOM 703 CB TYR A 52 -12.943 2.808 1.478 1.00 0.47 C ATOM 704 CG TYR A 52 -13.954 1.699 1.694 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.084 1.607 0.894 1.00 0.81 C ATOM 706 CD2 TYR A 52 -13.803 0.772 2.719 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.030 0.624 1.108 1.00 0.89 C ATOM 708 CE2 TYR A 52 -14.749 -0.205 2.943 1.00 1.09 C ATOM 709 CZ TYR A 52 -15.756 -0.386 2.045 1.00 0.84 C ATOM 710 OH TYR A 52 -16.809 -1.238 2.367 1.00 0.97 O ATOM 0 H TYR A 52 -12.964 2.077 -0.856 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.287 4.173 0.492 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -11.969 2.361 1.279 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.848 3.381 2.400 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.226 2.315 0.091 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -12.929 0.818 3.351 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -16.963 0.632 0.565 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -14.692 -0.824 3.826 1.00 1.09 H new ATOM 0 HH TYR A 52 -16.780 -2.028 1.787 1.00 0.97 H new ATOM 718 N ALA A 53 -11.120 4.661 -0.240 1.00 0.33 N ATOM 719 CA ALA A 53 -10.069 5.664 -0.333 1.00 0.34 C ATOM 720 C ALA A 53 -10.483 6.825 -1.229 1.00 0.39 C ATOM 721 O ALA A 53 -10.191 7.980 -0.922 1.00 0.42 O ATOM 722 CB ALA A 53 -8.786 5.034 -0.838 1.00 0.34 C ATOM 0 H ALA A 53 -10.869 3.754 -0.633 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.897 6.064 0.666 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -8.008 5.795 -0.903 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.470 4.250 -0.150 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.956 4.604 -1.825 1.00 0.34 H new ATOM 728 N ARG A 54 -11.175 6.517 -2.329 1.00 0.42 N ATOM 729 CA ARG A 54 -11.655 7.551 -3.245 1.00 0.50 C ATOM 730 C ARG A 54 -12.648 8.473 -2.550 1.00 0.51 C ATOM 731 O ARG A 54 -12.619 9.687 -2.748 1.00 0.55 O ATOM 732 CB ARG A 54 -12.319 6.938 -4.481 1.00 0.57 C ATOM 733 CG ARG A 54 -11.371 6.204 -5.414 1.00 1.11 C ATOM 734 CD ARG A 54 -10.305 7.120 -5.994 1.00 1.37 C ATOM 735 NE ARG A 54 -9.215 7.381 -5.051 1.00 2.13 N ATOM 736 CZ ARG A 54 -8.113 8.062 -5.361 1.00 3.01 C ATOM 737 NH1 ARG A 54 -7.981 8.604 -6.566 1.00 3.33 N ATOM 738 NH2 ARG A 54 -7.150 8.223 -4.463 1.00 4.04 N ATOM 0 H ARG A 54 -11.414 5.564 -2.605 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.785 8.127 -3.561 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -13.094 6.245 -4.154 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -12.816 7.731 -5.040 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -10.891 5.389 -4.872 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -11.941 5.754 -6.227 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -9.898 6.670 -6.899 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.763 8.065 -6.286 1.00 1.37 H new ATOM 0 HE ARG A 54 -9.305 7.020 -4.101 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -8.724 8.499 -7.257 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -7.136 9.125 -6.801 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -7.251 7.824 -3.530 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -6.308 8.745 -4.706 1.00 4.04 H new ATOM 746 N LEU A 55 -13.530 7.886 -1.748 1.00 0.50 N ATOM 747 CA LEU A 55 -14.528 8.654 -1.009 1.00 0.55 C ATOM 748 C LEU A 55 -13.843 9.624 -0.056 1.00 0.55 C ATOM 749 O LEU A 55 -14.195 10.803 0.017 1.00 0.61 O ATOM 750 CB LEU A 55 -15.452 7.719 -0.224 1.00 0.61 C ATOM 751 CG LEU A 55 -16.169 6.659 -1.061 1.00 0.86 C ATOM 752 CD1 LEU A 55 -16.968 5.725 -0.167 1.00 1.31 C ATOM 753 CD2 LEU A 55 -17.075 7.310 -2.097 1.00 1.37 C ATOM 0 H LEU A 55 -13.575 6.879 -1.592 1.00 0.50 H new ATOM 0 HA LEU A 55 -15.127 9.219 -1.724 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -14.866 7.216 0.545 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.201 8.322 0.289 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.415 6.074 -1.587 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.472 4.977 -0.780 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.296 5.228 0.533 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.710 6.299 0.388 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.575 6.537 -2.681 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.822 7.924 -1.593 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.478 7.936 -2.760 1.00 1.37 H new ATOM 763 N SER A 56 -12.814 9.134 0.617 1.00 0.52 N ATOM 764 CA SER A 56 -12.004 9.964 1.492 1.00 0.58 C ATOM 765 C SER A 56 -10.942 10.703 0.666 1.00 0.62 C ATOM 766 O SER A 56 -11.208 11.144 -0.456 1.00 1.17 O ATOM 767 CB SER A 56 -11.355 9.088 2.576 1.00 0.56 C ATOM 768 OG SER A 56 -10.717 9.869 3.575 1.00 1.28 O ATOM 0 H SER A 56 -12.519 8.159 0.573 1.00 0.52 H new ATOM 0 HA SER A 56 -12.631 10.708 1.983 1.00 0.58 H new ATOM 0 HB2 SER A 56 -12.116 8.459 3.038 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.626 8.421 2.116 1.00 0.56 H new ATOM 0 HG SER A 56 -10.318 9.278 4.247 1.00 1.28 H new ATOM 772 N GLY A 57 -9.737 10.808 1.198 1.00 0.48 N ATOM 773 CA GLY A 57 -8.658 11.452 0.479 1.00 0.45 C ATOM 774 C GLY A 57 -7.394 10.625 0.510 1.00 0.35 C ATOM 775 O GLY A 57 -6.313 11.136 0.802 1.00 0.47 O ATOM 0 H GLY A 57 -9.484 10.457 2.122 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -8.959 11.619 -0.555 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -8.463 12.431 0.916 1.00 0.45 H new ATOM 779 N ILE A 58 -7.537 9.331 0.267 1.00 0.36 N ATOM 780 CA ILE A 58 -6.402 8.424 0.322 1.00 0.31 C ATOM 781 C ILE A 58 -6.005 7.961 -1.076 1.00 0.32 C ATOM 782 O ILE A 58 -6.810 7.366 -1.797 1.00 0.33 O ATOM 783 CB ILE A 58 -6.708 7.185 1.190 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.290 7.608 2.541 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.444 6.359 1.393 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.721 6.443 3.406 1.00 0.35 C ATOM 0 H ILE A 58 -8.424 8.887 0.031 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.578 8.977 0.772 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.447 6.573 0.673 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.546 8.194 3.080 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.147 8.260 2.370 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.673 5.488 2.007 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.064 6.031 0.425 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.689 6.966 1.892 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -8.123 6.818 4.347 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.488 5.869 2.887 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.862 5.802 3.608 1.00 0.35 H new ATOM 796 N PRO A 59 -4.760 8.231 -1.486 1.00 0.35 N ATOM 797 CA PRO A 59 -4.244 7.801 -2.778 1.00 0.39 C ATOM 798 C PRO A 59 -3.942 6.305 -2.791 1.00 0.36 C ATOM 799 O PRO A 59 -3.124 5.816 -2.002 1.00 0.37 O ATOM 800 CB PRO A 59 -2.944 8.607 -2.950 1.00 0.45 C ATOM 801 CG PRO A 59 -2.885 9.547 -1.787 1.00 0.46 C ATOM 802 CD PRO A 59 -3.744 8.947 -0.714 1.00 0.41 C ATOM 0 HA PRO A 59 -4.963 7.970 -3.580 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.076 7.948 -2.964 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -2.945 9.153 -3.893 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -1.859 9.671 -1.439 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.248 10.536 -2.068 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.177 8.276 -0.068 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.185 9.710 -0.073 1.00 0.41 H new ATOM 804 N VAL A 60 -4.574 5.588 -3.707 1.00 0.36 N ATOM 805 CA VAL A 60 -4.316 4.165 -3.862 1.00 0.33 C ATOM 806 C VAL A 60 -3.424 3.929 -5.071 1.00 0.39 C ATOM 807 O VAL A 60 -3.783 4.274 -6.196 1.00 0.50 O ATOM 808 CB VAL A 60 -5.618 3.351 -4.018 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.309 1.877 -4.246 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.504 3.522 -2.797 1.00 0.39 C ATOM 0 H VAL A 60 -5.267 5.967 -4.352 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.817 3.825 -2.955 1.00 0.33 H new ATOM 0 HB VAL A 60 -6.152 3.729 -4.890 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.241 1.322 -4.353 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.714 1.766 -5.153 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.750 1.487 -3.395 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.417 2.941 -2.926 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -5.974 3.173 -1.911 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.758 4.575 -2.677 1.00 0.39 H new ATOM 820 N TYR A 61 -2.261 3.358 -4.829 1.00 0.35 N ATOM 821 CA TYR A 61 -1.317 3.073 -5.891 1.00 0.41 C ATOM 822 C TYR A 61 -1.477 1.638 -6.375 1.00 0.39 C ATOM 823 O TYR A 61 -1.371 0.692 -5.591 1.00 0.32 O ATOM 824 CB TYR A 61 0.114 3.308 -5.401 1.00 0.46 C ATOM 825 CG TYR A 61 1.166 3.085 -6.464 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.055 3.679 -7.714 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.261 2.267 -6.222 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.007 3.467 -8.689 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.221 2.055 -7.192 1.00 0.65 C ATOM 830 CZ TYR A 61 3.087 2.654 -8.425 1.00 0.72 C ATOM 831 OH TYR A 61 4.033 2.438 -9.400 1.00 0.83 O ATOM 0 H TYR A 61 -1.946 3.081 -3.900 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.519 3.745 -6.725 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.198 4.329 -5.028 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.314 2.644 -4.560 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.210 4.317 -7.926 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.364 1.788 -5.259 1.00 0.56 H new ATOM 0 HE1 TYR A 61 1.906 3.937 -9.656 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.072 1.423 -6.985 1.00 0.65 H new ATOM 0 HH TYR A 61 4.730 1.842 -9.053 1.00 0.83 H new ATOM 839 N GLU A 62 -1.672 1.483 -7.675 1.00 0.49 N ATOM 840 CA GLU A 62 -1.742 0.166 -8.281 1.00 0.52 C ATOM 841 C GLU A 62 -0.334 -0.368 -8.493 1.00 0.50 C ATOM 842 O GLU A 62 0.434 0.182 -9.286 1.00 0.59 O ATOM 843 CB GLU A 62 -2.496 0.225 -9.609 1.00 0.68 C ATOM 844 CG GLU A 62 -3.948 0.648 -9.466 1.00 1.24 C ATOM 845 CD GLU A 62 -4.641 0.815 -10.801 1.00 1.83 C ATOM 846 OE1 GLU A 62 -4.223 1.685 -11.592 1.00 2.35 O ATOM 847 OE2 GLU A 62 -5.610 0.075 -11.065 1.00 2.47 O ATOM 0 H GLU A 62 -1.785 2.256 -8.331 1.00 0.49 H new ATOM 0 HA GLU A 62 -2.284 -0.505 -7.615 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -1.987 0.922 -10.275 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -2.457 -0.756 -10.083 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -4.482 -0.095 -8.874 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -3.996 1.588 -8.916 1.00 1.24 H new ATOM 850 N PHE A 63 0.018 -1.393 -7.737 1.00 0.42 N ATOM 851 CA PHE A 63 1.358 -1.953 -7.784 1.00 0.41 C ATOM 852 C PHE A 63 1.616 -2.618 -9.131 1.00 0.44 C ATOM 853 O PHE A 63 0.865 -3.500 -9.556 1.00 0.42 O ATOM 854 CB PHE A 63 1.541 -2.958 -6.641 1.00 0.41 C ATOM 855 CG PHE A 63 2.962 -3.402 -6.423 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.016 -2.536 -6.650 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.239 -4.679 -5.969 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.319 -2.933 -6.433 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.544 -5.085 -5.753 1.00 0.47 C ATOM 860 CZ PHE A 63 5.586 -4.208 -5.984 1.00 0.53 C ATOM 0 H PHE A 63 -0.609 -1.857 -7.080 1.00 0.42 H new ATOM 0 HA PHE A 63 2.081 -1.146 -7.663 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.167 -2.513 -5.719 1.00 0.41 H new ATOM 0 HB3 PHE A 63 0.926 -3.835 -6.843 1.00 0.41 H new ATOM 0 HD1 PHE A 63 3.816 -1.535 -7.002 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.428 -5.367 -5.781 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.131 -2.244 -6.615 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.748 -6.087 -5.404 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.606 -4.520 -5.813 1.00 0.53 H new ATOM 868 N GLU A 64 2.703 -2.207 -9.778 1.00 0.61 N ATOM 869 CA GLU A 64 3.116 -2.788 -11.049 1.00 0.70 C ATOM 870 C GLU A 64 3.579 -4.223 -10.821 1.00 0.62 C ATOM 871 O GLU A 64 3.430 -5.090 -11.685 1.00 0.89 O ATOM 872 CB GLU A 64 4.239 -1.950 -11.676 1.00 0.97 C ATOM 873 CG GLU A 64 4.670 -2.415 -13.059 1.00 1.61 C ATOM 874 CD GLU A 64 3.555 -2.328 -14.084 1.00 1.90 C ATOM 875 OE1 GLU A 64 3.067 -1.208 -14.344 1.00 2.08 O ATOM 876 OE2 GLU A 64 3.155 -3.376 -14.632 1.00 2.46 O ATOM 0 H GLU A 64 3.317 -1.467 -9.438 1.00 0.61 H new ATOM 0 HA GLU A 64 2.271 -2.792 -11.738 1.00 0.70 H new ATOM 0 HB2 GLU A 64 3.910 -0.913 -11.740 1.00 0.97 H new ATOM 0 HB3 GLU A 64 5.104 -1.969 -11.013 1.00 0.97 H new ATOM 0 HG2 GLU A 64 5.513 -1.810 -13.394 1.00 1.61 H new ATOM 0 HG3 GLU A 64 5.021 -3.445 -12.998 1.00 1.61 H new ATOM 879 N GLY A 65 4.076 -4.469 -9.618 1.00 0.62 N ATOM 880 CA GLY A 65 4.471 -5.804 -9.228 1.00 0.64 C ATOM 881 C GLY A 65 3.289 -6.645 -8.786 1.00 0.62 C ATOM 882 O GLY A 65 2.197 -6.127 -8.545 1.00 0.82 O ATOM 0 H GLY A 65 4.213 -3.759 -8.899 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.970 -6.293 -10.065 1.00 0.64 H new ATOM 0 HA3 GLY A 65 5.196 -5.744 -8.416 1.00 0.64 H new ATOM 886 N THR A 66 3.516 -7.937 -8.653 1.00 0.63 N ATOM 887 CA THR A 66 2.487 -8.856 -8.201 1.00 0.67 C ATOM 888 C THR A 66 2.523 -8.991 -6.677 1.00 0.60 C ATOM 889 O THR A 66 3.449 -8.504 -6.022 1.00 0.56 O ATOM 890 CB THR A 66 2.635 -10.246 -8.868 1.00 0.83 C ATOM 891 OG1 THR A 66 1.557 -11.102 -8.473 1.00 1.53 O ATOM 892 CG2 THR A 66 3.957 -10.898 -8.501 1.00 1.42 C ATOM 0 H THR A 66 4.413 -8.379 -8.854 1.00 0.63 H new ATOM 0 HA THR A 66 1.522 -8.445 -8.497 1.00 0.67 H new ATOM 0 HB THR A 66 2.610 -10.099 -9.948 1.00 0.83 H new ATOM 0 HG1 THR A 66 1.660 -11.977 -8.902 1.00 1.53 H new ATOM 0 HG21 THR A 66 4.029 -11.872 -8.985 1.00 1.42 H new ATOM 0 HG22 THR A 66 4.780 -10.265 -8.834 1.00 1.42 H new ATOM 0 HG23 THR A 66 4.012 -11.026 -7.420 1.00 1.42 H new ATOM 900 N SER A 67 1.527 -9.674 -6.127 1.00 0.61 N ATOM 901 CA SER A 67 1.433 -9.892 -4.693 1.00 0.58 C ATOM 902 C SER A 67 2.617 -10.708 -4.183 1.00 0.56 C ATOM 903 O SER A 67 3.095 -10.493 -3.068 1.00 0.54 O ATOM 904 CB SER A 67 0.119 -10.597 -4.370 1.00 0.67 C ATOM 905 OG SER A 67 -0.112 -11.671 -5.265 1.00 1.25 O ATOM 0 H SER A 67 0.765 -10.090 -6.662 1.00 0.61 H new ATOM 0 HA SER A 67 1.456 -8.925 -4.190 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.144 -10.970 -3.346 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.704 -9.885 -4.430 1.00 0.67 H new ATOM 0 HG SER A 67 -0.959 -12.109 -5.038 1.00 1.25 H new ATOM 909 N VAL A 68 3.096 -11.632 -5.012 1.00 0.64 N ATOM 910 CA VAL A 68 4.241 -12.461 -4.653 1.00 0.67 C ATOM 911 C VAL A 68 5.467 -11.586 -4.400 1.00 0.58 C ATOM 912 O VAL A 68 6.103 -11.673 -3.347 1.00 0.59 O ATOM 913 CB VAL A 68 4.589 -13.479 -5.762 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.598 -14.497 -5.255 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.340 -14.171 -6.283 1.00 0.97 C ATOM 0 H VAL A 68 2.709 -11.825 -5.936 1.00 0.64 H new ATOM 0 HA VAL A 68 3.966 -13.007 -3.750 1.00 0.67 H new ATOM 0 HB VAL A 68 5.038 -12.933 -6.592 1.00 0.79 H new ATOM 0 HG11 VAL A 68 5.831 -15.206 -6.050 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.509 -13.984 -4.948 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.178 -15.032 -4.403 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.616 -14.881 -7.062 1.00 0.97 H new ATOM 0 HG22 VAL A 68 2.850 -14.701 -5.466 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.657 -13.428 -6.695 1.00 0.97 H new ATOM 925 N GLU A 69 5.745 -10.701 -5.355 1.00 0.57 N ATOM 926 CA GLU A 69 6.863 -9.767 -5.257 1.00 0.55 C ATOM 927 C GLU A 69 6.696 -8.848 -4.057 1.00 0.48 C ATOM 928 O GLU A 69 7.640 -8.624 -3.301 1.00 0.52 O ATOM 929 CB GLU A 69 6.963 -8.930 -6.533 1.00 0.65 C ATOM 930 CG GLU A 69 7.304 -9.743 -7.770 1.00 1.35 C ATOM 931 CD GLU A 69 7.170 -8.940 -9.045 1.00 1.73 C ATOM 932 OE1 GLU A 69 6.036 -8.551 -9.392 1.00 2.65 O ATOM 933 OE2 GLU A 69 8.198 -8.683 -9.705 1.00 1.82 O ATOM 0 H GLU A 69 5.204 -10.612 -6.215 1.00 0.57 H new ATOM 0 HA GLU A 69 7.778 -10.345 -5.130 1.00 0.55 H new ATOM 0 HB2 GLU A 69 6.015 -8.417 -6.696 1.00 0.65 H new ATOM 0 HB3 GLU A 69 7.722 -8.160 -6.394 1.00 0.65 H new ATOM 0 HG2 GLU A 69 8.324 -10.117 -7.685 1.00 1.35 H new ATOM 0 HG3 GLU A 69 6.649 -10.613 -7.821 1.00 1.35 H new ATOM 936 N LEU A 70 5.485 -8.334 -3.883 1.00 0.44 N ATOM 937 CA LEU A 70 5.178 -7.444 -2.772 1.00 0.41 C ATOM 938 C LEU A 70 5.431 -8.148 -1.441 1.00 0.48 C ATOM 939 O LEU A 70 6.024 -7.576 -0.526 1.00 0.56 O ATOM 940 CB LEU A 70 3.723 -6.975 -2.862 1.00 0.41 C ATOM 941 CG LEU A 70 3.345 -5.829 -1.923 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.207 -4.606 -2.200 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.869 -5.486 -2.068 1.00 0.43 C ATOM 0 H LEU A 70 4.696 -8.520 -4.501 1.00 0.44 H new ATOM 0 HA LEU A 70 5.830 -6.573 -2.829 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.522 -6.664 -3.887 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.072 -7.824 -2.653 1.00 0.41 H new ATOM 0 HG LEU A 70 3.524 -6.151 -0.897 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.924 -3.800 -1.522 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.256 -4.858 -2.046 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.059 -4.282 -3.230 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.617 -4.668 -1.392 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.665 -5.184 -3.095 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.266 -6.360 -1.820 1.00 0.43 H new ATOM 953 N GLY A 71 5.029 -9.415 -1.366 1.00 0.54 N ATOM 954 CA GLY A 71 5.256 -10.203 -0.171 1.00 0.68 C ATOM 955 C GLY A 71 6.729 -10.384 0.125 1.00 0.71 C ATOM 956 O GLY A 71 7.174 -10.157 1.251 1.00 0.84 O ATOM 0 H GLY A 71 4.548 -9.910 -2.117 1.00 0.54 H new ATOM 0 HA2 GLY A 71 4.774 -9.719 0.678 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.788 -11.181 -0.288 1.00 0.68 H new ATOM 960 N THR A 72 7.495 -10.715 -0.907 1.00 0.65 N ATOM 961 CA THR A 72 8.937 -10.870 -0.776 1.00 0.75 C ATOM 962 C THR A 72 9.584 -9.560 -0.330 1.00 0.75 C ATOM 963 O THR A 72 10.478 -9.550 0.519 1.00 0.88 O ATOM 964 CB THR A 72 9.565 -11.327 -2.108 1.00 0.80 C ATOM 965 OG1 THR A 72 8.901 -12.508 -2.580 1.00 1.46 O ATOM 966 CG2 THR A 72 11.051 -11.611 -1.945 1.00 1.12 C ATOM 0 H THR A 72 7.139 -10.882 -1.848 1.00 0.65 H new ATOM 0 HA THR A 72 9.119 -11.633 -0.019 1.00 0.75 H new ATOM 0 HB THR A 72 9.445 -10.522 -2.833 1.00 0.80 H new ATOM 0 HG1 THR A 72 7.999 -12.276 -2.885 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.467 -11.931 -2.900 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.560 -10.706 -1.613 1.00 1.12 H new ATOM 0 HG23 THR A 72 11.192 -12.399 -1.205 1.00 1.12 H new ATOM 974 N LEU A 73 9.100 -8.456 -0.887 1.00 0.65 N ATOM 975 CA LEU A 73 9.604 -7.135 -0.544 1.00 0.73 C ATOM 976 C LEU A 73 9.375 -6.838 0.938 1.00 0.84 C ATOM 977 O LEU A 73 10.279 -6.363 1.629 1.00 0.97 O ATOM 978 CB LEU A 73 8.929 -6.072 -1.418 1.00 0.71 C ATOM 979 CG LEU A 73 9.422 -4.639 -1.214 1.00 0.91 C ATOM 980 CD1 LEU A 73 10.932 -4.565 -1.368 1.00 1.51 C ATOM 981 CD2 LEU A 73 8.743 -3.703 -2.198 1.00 1.47 C ATOM 0 H LEU A 73 8.354 -8.452 -1.583 1.00 0.65 H new ATOM 0 HA LEU A 73 10.678 -7.112 -0.731 1.00 0.73 H new ATOM 0 HB2 LEU A 73 9.074 -6.342 -2.464 1.00 0.71 H new ATOM 0 HB3 LEU A 73 7.856 -6.099 -1.228 1.00 0.71 H new ATOM 0 HG LEU A 73 9.165 -4.327 -0.202 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.263 -3.537 -1.219 1.00 1.51 H new ATOM 0 HD12 LEU A 73 11.405 -5.209 -0.627 1.00 1.51 H new ATOM 0 HD13 LEU A 73 11.212 -4.895 -2.368 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.104 -2.686 -2.041 1.00 1.47 H new ATOM 0 HD22 LEU A 73 8.973 -4.017 -3.216 1.00 1.47 H new ATOM 0 HD23 LEU A 73 7.664 -3.733 -2.044 1.00 1.47 H new ATOM 991 N LEU A 74 8.180 -7.157 1.425 1.00 0.84 N ATOM 992 CA LEU A 74 7.846 -6.962 2.832 1.00 1.03 C ATOM 993 C LEU A 74 8.644 -7.917 3.719 1.00 1.24 C ATOM 994 O LEU A 74 9.240 -7.505 4.715 1.00 1.47 O ATOM 995 CB LEU A 74 6.344 -7.165 3.058 1.00 1.01 C ATOM 996 CG LEU A 74 5.435 -6.155 2.352 1.00 0.93 C ATOM 997 CD1 LEU A 74 3.977 -6.507 2.583 1.00 1.79 C ATOM 998 CD2 LEU A 74 5.722 -4.745 2.843 1.00 1.14 C ATOM 0 H LEU A 74 7.425 -7.553 0.865 1.00 0.84 H new ATOM 0 HA LEU A 74 8.109 -5.940 3.103 1.00 1.03 H new ATOM 0 HB2 LEU A 74 6.075 -8.167 2.724 1.00 1.01 H new ATOM 0 HB3 LEU A 74 6.145 -7.122 4.129 1.00 1.01 H new ATOM 0 HG LEU A 74 5.639 -6.196 1.282 1.00 0.93 H new ATOM 0 HD11 LEU A 74 3.342 -5.781 2.075 1.00 1.79 H new ATOM 0 HD12 LEU A 74 3.776 -7.503 2.188 1.00 1.79 H new ATOM 0 HD13 LEU A 74 3.764 -6.491 3.652 1.00 1.79 H new ATOM 0 HD21 LEU A 74 5.067 -4.041 2.330 1.00 1.14 H new ATOM 0 HD22 LEU A 74 5.544 -4.690 3.917 1.00 1.14 H new ATOM 0 HD23 LEU A 74 6.761 -4.492 2.634 1.00 1.14 H new ATOM 1008 N GLY A 75 8.667 -9.188 3.345 1.00 1.24 N ATOM 1009 CA GLY A 75 9.417 -10.167 4.104 1.00 1.50 C ATOM 1010 C GLY A 75 8.700 -11.496 4.190 1.00 1.63 C ATOM 1011 O GLY A 75 9.319 -12.558 4.099 1.00 2.22 O ATOM 0 H GLY A 75 8.180 -9.559 2.529 1.00 1.24 H new ATOM 0 HA2 GLY A 75 10.393 -10.312 3.642 1.00 1.50 H new ATOM 0 HA3 GLY A 75 9.594 -9.786 5.110 1.00 1.50 H new ATOM 1015 N ARG A 76 7.394 -11.435 4.391 1.00 1.47 N ATOM 1016 CA ARG A 76 6.581 -12.638 4.520 1.00 1.63 C ATOM 1017 C ARG A 76 6.493 -13.387 3.191 1.00 1.48 C ATOM 1018 O ARG A 76 6.188 -12.798 2.156 1.00 1.41 O ATOM 1019 CB ARG A 76 5.179 -12.281 5.031 1.00 1.84 C ATOM 1020 CG ARG A 76 4.486 -11.185 4.232 1.00 1.98 C ATOM 1021 CD ARG A 76 3.127 -10.844 4.826 1.00 2.35 C ATOM 1022 NE ARG A 76 3.237 -10.382 6.211 1.00 3.01 N ATOM 1023 CZ ARG A 76 2.193 -10.124 7.001 1.00 3.50 C ATOM 1024 NH1 ARG A 76 0.955 -10.292 6.553 1.00 3.60 N ATOM 1025 NH2 ARG A 76 2.391 -9.715 8.248 1.00 4.36 N ATOM 0 H ARG A 76 6.871 -10.563 4.469 1.00 1.47 H new ATOM 0 HA ARG A 76 7.060 -13.296 5.245 1.00 1.63 H new ATOM 0 HB2 ARG A 76 4.558 -13.177 5.013 1.00 1.84 H new ATOM 0 HB3 ARG A 76 5.253 -11.966 6.072 1.00 1.84 H new ATOM 0 HG2 ARG A 76 5.112 -10.293 4.215 1.00 1.98 H new ATOM 0 HG3 ARG A 76 4.363 -11.508 3.198 1.00 1.98 H new ATOM 0 HD2 ARG A 76 2.650 -10.072 4.222 1.00 2.35 H new ATOM 0 HD3 ARG A 76 2.483 -11.722 4.786 1.00 2.35 H new ATOM 0 HE ARG A 76 4.172 -10.249 6.597 1.00 3.01 H new ATOM 0 HH11 ARG A 76 0.798 -10.620 5.600 1.00 3.60 H new ATOM 0 HH12 ARG A 76 0.161 -10.093 7.162 1.00 3.60 H new ATOM 0 HH21 ARG A 76 3.341 -9.598 8.602 1.00 4.36 H new ATOM 0 HH22 ARG A 76 1.594 -9.518 8.853 1.00 4.36 H new ATOM 1033 N PRO A 77 6.743 -14.706 3.208 1.00 1.57 N ATOM 1034 CA PRO A 77 6.688 -15.545 2.006 1.00 1.60 C ATOM 1035 C PRO A 77 5.253 -15.881 1.609 1.00 1.55 C ATOM 1036 O PRO A 77 4.922 -17.029 1.299 1.00 1.73 O ATOM 1037 CB PRO A 77 7.445 -16.800 2.428 1.00 1.89 C ATOM 1038 CG PRO A 77 7.226 -16.899 3.899 1.00 1.91 C ATOM 1039 CD PRO A 77 7.092 -15.486 4.408 1.00 1.81 C ATOM 0 HA PRO A 77 7.113 -15.052 1.132 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.067 -17.682 1.911 1.00 1.89 H new ATOM 0 HB3 PRO A 77 8.506 -16.721 2.190 1.00 1.89 H new ATOM 0 HG2 PRO A 77 6.329 -17.477 4.120 1.00 1.91 H new ATOM 0 HG3 PRO A 77 8.060 -17.408 4.382 1.00 1.91 H new ATOM 0 HD2 PRO A 77 6.319 -15.409 5.173 1.00 1.81 H new ATOM 0 HD3 PRO A 77 8.021 -15.134 4.857 1.00 1.81 H new ATOM 1041 N HIS A 78 4.405 -14.869 1.631 1.00 1.55 N ATOM 1042 CA HIS A 78 3.004 -15.021 1.279 1.00 1.56 C ATOM 1043 C HIS A 78 2.563 -13.856 0.410 1.00 1.37 C ATOM 1044 O HIS A 78 3.050 -12.735 0.572 1.00 1.90 O ATOM 1045 CB HIS A 78 2.130 -15.096 2.534 1.00 1.86 C ATOM 1046 CG HIS A 78 2.310 -16.354 3.328 1.00 1.97 C ATOM 1047 ND1 HIS A 78 1.972 -17.603 2.850 1.00 2.84 N ATOM 1048 CD2 HIS A 78 2.801 -16.551 4.573 1.00 1.78 C ATOM 1049 CE1 HIS A 78 2.247 -18.511 3.768 1.00 3.13 C ATOM 1050 NE2 HIS A 78 2.750 -17.897 4.820 1.00 2.47 N ATOM 0 H HIS A 78 4.667 -13.919 1.893 1.00 1.55 H new ATOM 0 HA HIS A 78 2.887 -15.952 0.725 1.00 1.56 H new ATOM 0 HB2 HIS A 78 2.354 -14.241 3.172 1.00 1.86 H new ATOM 0 HB3 HIS A 78 1.084 -15.010 2.241 1.00 1.86 H new ATOM 0 HD2 HIS A 78 3.165 -15.789 5.246 1.00 1.78 H new ATOM 0 HE1 HIS A 78 2.087 -19.575 3.673 1.00 3.13 H new ATOM 0 HE2 HIS A 78 3.053 -18.352 5.681 1.00 2.47 H new ATOM 1057 N THR A 79 1.704 -14.145 -0.553 1.00 1.02 N ATOM 1058 CA THR A 79 1.231 -13.145 -1.495 1.00 0.90 C ATOM 1059 C THR A 79 0.349 -12.099 -0.808 1.00 0.80 C ATOM 1060 O THR A 79 -0.866 -12.269 -0.701 1.00 1.06 O ATOM 1061 CB THR A 79 0.449 -13.820 -2.637 1.00 1.08 C ATOM 1062 OG1 THR A 79 -0.538 -14.710 -2.098 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.381 -14.601 -3.545 1.00 1.21 C ATOM 0 H THR A 79 1.316 -15.076 -0.704 1.00 1.02 H new ATOM 0 HA THR A 79 2.103 -12.635 -1.904 1.00 0.90 H new ATOM 0 HB THR A 79 -0.038 -13.038 -3.220 1.00 1.08 H new ATOM 0 HG1 THR A 79 -1.051 -14.247 -1.403 1.00 1.25 H new ATOM 0 HG21 THR A 79 0.804 -15.068 -4.343 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.118 -13.925 -3.978 1.00 1.21 H new ATOM 0 HG23 THR A 79 1.891 -15.372 -2.967 1.00 1.21 H new ATOM 1071 N VAL A 80 0.972 -11.041 -0.305 1.00 0.65 N ATOM 1072 CA VAL A 80 0.249 -9.973 0.374 1.00 0.55 C ATOM 1073 C VAL A 80 -0.568 -9.161 -0.630 1.00 0.48 C ATOM 1074 O VAL A 80 -0.112 -8.888 -1.742 1.00 0.56 O ATOM 1075 CB VAL A 80 1.212 -9.047 1.156 1.00 0.62 C ATOM 1076 CG1 VAL A 80 2.236 -8.424 0.226 1.00 1.16 C ATOM 1077 CG2 VAL A 80 0.448 -7.971 1.911 1.00 1.24 C ATOM 0 H VAL A 80 1.981 -10.899 -0.355 1.00 0.65 H new ATOM 0 HA VAL A 80 -0.429 -10.434 1.092 1.00 0.55 H new ATOM 0 HB VAL A 80 1.741 -9.659 1.887 1.00 0.62 H new ATOM 0 HG11 VAL A 80 2.901 -7.778 0.798 1.00 1.16 H new ATOM 0 HG12 VAL A 80 2.818 -9.211 -0.253 1.00 1.16 H new ATOM 0 HG13 VAL A 80 1.725 -7.835 -0.536 1.00 1.16 H new ATOM 0 HG21 VAL A 80 1.151 -7.336 2.451 1.00 1.24 H new ATOM 0 HG22 VAL A 80 -0.120 -7.365 1.205 1.00 1.24 H new ATOM 0 HG23 VAL A 80 -0.235 -8.439 2.619 1.00 1.24 H new ATOM 1087 N SER A 81 -1.821 -8.902 -0.286 1.00 0.42 N ATOM 1088 CA SER A 81 -2.743 -8.243 -1.198 1.00 0.47 C ATOM 1089 C SER A 81 -2.492 -6.736 -1.261 1.00 0.38 C ATOM 1090 O SER A 81 -2.543 -6.135 -2.338 1.00 0.39 O ATOM 1091 CB SER A 81 -4.181 -8.507 -0.757 1.00 0.55 C ATOM 1092 OG SER A 81 -4.382 -9.883 -0.466 1.00 1.18 O ATOM 0 H SER A 81 -2.223 -9.139 0.621 1.00 0.42 H new ATOM 0 HA SER A 81 -2.579 -8.653 -2.195 1.00 0.47 H new ATOM 0 HB2 SER A 81 -4.410 -7.908 0.125 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.869 -8.194 -1.542 1.00 0.55 H new ATOM 0 HG SER A 81 -5.310 -10.026 -0.184 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.311 -6.117 -0.099 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.186 -4.669 -0.025 1.00 0.30 C ATOM 1098 C ALA A 82 -1.423 -4.238 1.220 1.00 0.30 C ATOM 1099 O ALA A 82 -1.244 -5.019 2.156 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.568 -4.031 -0.031 1.00 0.33 C ATOM 0 H ALA A 82 -2.248 -6.595 0.800 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.623 -4.335 -0.897 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.469 -2.947 0.025 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.089 -4.301 -0.949 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.137 -4.388 0.828 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.017 -2.979 1.240 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.327 -2.420 2.385 1.00 0.31 C ATOM 1108 C LEU A 83 -0.677 -0.946 2.545 1.00 0.28 C ATOM 1109 O LEU A 83 -0.821 -0.217 1.558 1.00 0.30 O ATOM 1110 CB LEU A 83 1.193 -2.620 2.261 1.00 0.37 C ATOM 1111 CG LEU A 83 1.845 -2.090 0.978 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.227 -0.624 1.119 1.00 0.88 C ATOM 1113 CD2 LEU A 83 3.065 -2.922 0.633 1.00 0.83 C ATOM 0 H LEU A 83 -1.156 -2.324 0.471 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.657 -2.948 3.280 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.672 -2.138 3.113 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.405 -3.686 2.337 1.00 0.37 H new ATOM 0 HG LEU A 83 1.118 -2.170 0.169 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.687 -0.277 0.194 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.334 -0.033 1.324 1.00 0.88 H new ATOM 0 HD13 LEU A 83 2.934 -0.510 1.941 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.521 -2.538 -0.279 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.785 -2.868 1.449 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.767 -3.959 0.481 1.00 0.83 H new ATOM 1123 N ALA A 84 -0.881 -0.534 3.782 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.251 0.836 4.076 1.00 0.29 C ATOM 1125 C ALA A 84 -0.077 1.595 4.677 1.00 0.30 C ATOM 1126 O ALA A 84 0.417 1.252 5.755 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.447 0.869 5.013 1.00 0.35 C ATOM 0 H ALA A 84 -0.796 -1.133 4.603 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.528 1.326 3.143 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.714 1.904 5.226 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.292 0.365 4.543 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.194 0.361 5.944 1.00 0.35 H new ATOM 1133 N VAL A 85 0.335 2.649 4.001 1.00 0.35 N ATOM 1134 CA VAL A 85 1.397 3.510 4.490 1.00 0.42 C ATOM 1135 C VAL A 85 0.815 4.581 5.402 1.00 0.41 C ATOM 1136 O VAL A 85 0.158 5.520 4.936 1.00 0.46 O ATOM 1137 CB VAL A 85 2.158 4.196 3.332 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.314 5.032 3.867 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.654 3.168 2.326 1.00 1.05 C ATOM 0 H VAL A 85 -0.054 2.933 3.102 1.00 0.35 H new ATOM 0 HA VAL A 85 2.099 2.884 5.040 1.00 0.42 H new ATOM 0 HB VAL A 85 1.465 4.863 2.819 1.00 0.53 H new ATOM 0 HG11 VAL A 85 3.836 5.506 3.035 1.00 0.69 H new ATOM 0 HG12 VAL A 85 2.928 5.800 4.538 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.006 4.390 4.411 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.186 3.674 1.521 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.327 2.469 2.822 1.00 1.05 H new ATOM 0 HG23 VAL A 85 1.805 2.623 1.913 1.00 1.05 H new ATOM 1149 N VAL A 86 1.029 4.425 6.701 1.00 0.44 N ATOM 1150 CA VAL A 86 0.520 5.380 7.672 1.00 0.46 C ATOM 1151 C VAL A 86 1.428 6.599 7.733 1.00 0.47 C ATOM 1152 O VAL A 86 0.985 7.730 7.536 1.00 0.54 O ATOM 1153 CB VAL A 86 0.408 4.762 9.080 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.296 5.720 10.025 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.321 3.426 9.029 1.00 0.53 C ATOM 0 H VAL A 86 1.551 3.647 7.105 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.478 5.673 7.346 1.00 0.46 H new ATOM 0 HB VAL A 86 1.415 4.583 9.456 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.367 5.269 11.015 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.270 6.649 10.090 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.297 5.931 9.650 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.388 3.009 10.034 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.325 3.574 8.630 1.00 0.53 H new ATOM 0 HG23 VAL A 86 0.227 2.737 8.386 1.00 0.53 H new ATOM 1165 N ASP A 87 2.712 6.351 7.932 1.00 0.49 N ATOM 1166 CA ASP A 87 3.698 7.419 7.973 1.00 0.60 C ATOM 1167 C ASP A 87 4.821 7.120 6.996 1.00 0.47 C ATOM 1168 O ASP A 87 5.449 6.064 7.072 1.00 0.62 O ATOM 1169 CB ASP A 87 4.270 7.574 9.386 1.00 0.83 C ATOM 1170 CG ASP A 87 3.242 8.037 10.397 1.00 1.50 C ATOM 1171 OD1 ASP A 87 2.744 9.176 10.276 1.00 1.94 O ATOM 1172 OD2 ASP A 87 2.921 7.263 11.323 1.00 2.15 O ATOM 0 H ASP A 87 3.097 5.416 8.068 1.00 0.49 H new ATOM 0 HA ASP A 87 3.209 8.352 7.692 1.00 0.60 H new ATOM 0 HB2 ASP A 87 4.685 6.620 9.710 1.00 0.83 H new ATOM 0 HB3 ASP A 87 5.094 8.288 9.362 1.00 0.83 H new ATOM 1175 N PRO A 88 5.030 8.008 6.015 1.00 0.45 N ATOM 1176 CA PRO A 88 6.048 7.819 4.976 1.00 0.54 C ATOM 1177 C PRO A 88 7.463 8.096 5.480 1.00 0.93 C ATOM 1178 O PRO A 88 8.432 7.524 4.977 1.00 1.68 O ATOM 1179 CB PRO A 88 5.650 8.840 3.908 1.00 0.69 C ATOM 1180 CG PRO A 88 4.946 9.918 4.656 1.00 0.99 C ATOM 1181 CD PRO A 88 4.249 9.243 5.807 1.00 0.66 C ATOM 0 HA PRO A 88 6.077 6.790 4.618 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.525 9.227 3.386 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.001 8.392 3.155 1.00 0.69 H new ATOM 0 HG2 PRO A 88 5.651 10.668 5.014 1.00 0.99 H new ATOM 0 HG3 PRO A 88 4.230 10.433 4.015 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.248 9.871 6.698 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.208 9.023 5.571 1.00 0.66 H new ATOM 1183 N GLY A 89 7.579 9.036 6.411 1.00 0.73 N ATOM 1184 CA GLY A 89 8.880 9.446 6.895 1.00 1.09 C ATOM 1185 C GLY A 89 9.638 10.241 5.849 1.00 0.99 C ATOM 1186 O GLY A 89 9.054 11.076 5.156 1.00 1.49 O ATOM 0 H GLY A 89 6.791 9.522 6.839 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.761 10.049 7.795 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.459 8.566 7.175 1.00 1.09 H new ATOM 1190 N GLU A 90 10.918 9.943 5.694 1.00 0.73 N ATOM 1191 CA GLU A 90 11.740 10.584 4.674 1.00 0.70 C ATOM 1192 C GLU A 90 11.434 10.006 3.301 1.00 0.68 C ATOM 1193 O GLU A 90 11.642 10.654 2.274 1.00 1.07 O ATOM 1194 CB GLU A 90 13.219 10.363 4.973 1.00 0.95 C ATOM 1195 CG GLU A 90 13.708 11.032 6.242 1.00 1.45 C ATOM 1196 CD GLU A 90 15.154 10.693 6.523 1.00 2.32 C ATOM 1197 OE1 GLU A 90 16.012 10.967 5.660 1.00 2.82 O ATOM 1198 OE2 GLU A 90 15.444 10.182 7.627 1.00 3.03 O ATOM 0 H GLU A 90 11.415 9.258 6.264 1.00 0.73 H new ATOM 0 HA GLU A 90 11.513 11.650 4.682 1.00 0.70 H new ATOM 0 HB2 GLU A 90 13.406 9.292 5.046 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.806 10.733 4.132 1.00 0.95 H new ATOM 0 HG2 GLU A 90 13.597 12.113 6.151 1.00 1.45 H new ATOM 0 HG3 GLU A 90 13.089 10.718 7.082 1.00 1.45 H new ATOM 1201 N SER A 91 11.110 8.724 3.306 1.00 0.54 N ATOM 1202 CA SER A 91 10.946 7.941 2.095 1.00 0.53 C ATOM 1203 C SER A 91 9.934 8.558 1.134 1.00 0.49 C ATOM 1204 O SER A 91 8.787 8.824 1.503 1.00 0.57 O ATOM 1205 CB SER A 91 10.496 6.541 2.494 1.00 0.65 C ATOM 1206 OG SER A 91 10.726 6.332 3.880 1.00 1.65 O ATOM 0 H SER A 91 10.952 8.192 4.162 1.00 0.54 H new ATOM 0 HA SER A 91 11.900 7.913 1.569 1.00 0.53 H new ATOM 0 HB2 SER A 91 9.437 6.413 2.270 1.00 0.65 H new ATOM 0 HB3 SER A 91 11.038 5.796 1.911 1.00 0.65 H new ATOM 0 HG SER A 91 9.948 6.638 4.391 1.00 1.65 H new ATOM 1210 N ARG A 92 10.340 8.674 -0.124 1.00 0.50 N ATOM 1211 CA ARG A 92 9.464 9.146 -1.195 1.00 0.55 C ATOM 1212 C ARG A 92 8.514 8.028 -1.638 1.00 0.53 C ATOM 1213 O ARG A 92 8.379 7.737 -2.827 1.00 0.68 O ATOM 1214 CB ARG A 92 10.301 9.630 -2.386 1.00 0.72 C ATOM 1215 CG ARG A 92 11.298 8.592 -2.880 1.00 1.39 C ATOM 1216 CD ARG A 92 11.865 8.945 -4.243 1.00 2.08 C ATOM 1217 NE ARG A 92 12.652 7.846 -4.803 1.00 2.69 N ATOM 1218 CZ ARG A 92 13.185 7.864 -6.024 1.00 3.57 C ATOM 1219 NH1 ARG A 92 13.068 8.943 -6.785 1.00 4.00 N ATOM 1220 NH2 ARG A 92 13.847 6.806 -6.478 1.00 4.45 N ATOM 0 H ARG A 92 11.285 8.444 -0.433 1.00 0.50 H new ATOM 0 HA ARG A 92 8.870 9.979 -0.819 1.00 0.55 H new ATOM 0 HB2 ARG A 92 9.634 9.902 -3.204 1.00 0.72 H new ATOM 0 HB3 ARG A 92 10.839 10.534 -2.100 1.00 0.72 H new ATOM 0 HG2 ARG A 92 12.113 8.502 -2.162 1.00 1.39 H new ATOM 0 HG3 ARG A 92 10.811 7.618 -2.932 1.00 1.39 H new ATOM 0 HD2 ARG A 92 11.050 9.192 -4.923 1.00 2.08 H new ATOM 0 HD3 ARG A 92 12.490 9.834 -4.158 1.00 2.08 H new ATOM 0 HE ARG A 92 12.801 7.019 -4.226 1.00 2.69 H new ATOM 0 HH11 ARG A 92 12.569 9.761 -6.436 1.00 4.00 H new ATOM 0 HH12 ARG A 92 13.477 8.955 -7.719 1.00 4.00 H new ATOM 0 HH21 ARG A 92 13.948 5.978 -5.892 1.00 4.45 H new ATOM 0 HH22 ARG A 92 14.254 6.822 -7.413 1.00 4.45 H new ATOM 1228 N ILE A 93 7.925 7.350 -0.664 1.00 0.46 N ATOM 1229 CA ILE A 93 7.089 6.189 -0.926 1.00 0.57 C ATOM 1230 C ILE A 93 5.737 6.604 -1.525 1.00 0.61 C ATOM 1231 O ILE A 93 5.229 5.949 -2.433 1.00 0.70 O ATOM 1232 CB ILE A 93 6.912 5.344 0.371 1.00 0.65 C ATOM 1233 CG1 ILE A 93 6.720 3.852 0.050 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.766 5.862 1.232 1.00 0.61 C ATOM 1235 CD1 ILE A 93 5.379 3.494 -0.552 1.00 0.97 C ATOM 0 H ILE A 93 8.012 7.588 0.324 1.00 0.46 H new ATOM 0 HA ILE A 93 7.587 5.563 -1.666 1.00 0.57 H new ATOM 0 HB ILE A 93 7.832 5.450 0.945 1.00 0.65 H new ATOM 0 HG12 ILE A 93 7.505 3.540 -0.639 1.00 0.89 H new ATOM 0 HG13 ILE A 93 6.854 3.278 0.967 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.676 5.246 2.127 1.00 0.61 H new ATOM 0 HG22 ILE A 93 5.966 6.894 1.521 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.836 5.817 0.665 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.340 2.421 -0.742 1.00 0.97 H new ATOM 0 HD12 ILE A 93 4.584 3.768 0.141 1.00 0.97 H new ATOM 0 HD13 ILE A 93 5.245 4.034 -1.489 1.00 0.97 H new ATOM 1245 N LEU A 94 5.192 7.731 -1.077 1.00 0.60 N ATOM 1246 CA LEU A 94 3.925 8.208 -1.612 1.00 0.70 C ATOM 1247 C LEU A 94 4.135 8.984 -2.904 1.00 0.70 C ATOM 1248 O LEU A 94 3.187 9.232 -3.642 1.00 0.78 O ATOM 1249 CB LEU A 94 3.155 9.041 -0.575 1.00 0.85 C ATOM 1250 CG LEU A 94 3.850 10.308 -0.083 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.508 11.499 -0.970 1.00 1.63 C ATOM 1252 CD2 LEU A 94 3.476 10.593 1.364 1.00 1.15 C ATOM 0 H LEU A 94 5.602 8.323 -0.355 1.00 0.60 H new ATOM 0 HA LEU A 94 3.314 7.336 -1.845 1.00 0.70 H new ATOM 0 HB2 LEU A 94 2.194 9.322 -1.005 1.00 0.85 H new ATOM 0 HB3 LEU A 94 2.945 8.408 0.287 1.00 0.85 H new ATOM 0 HG LEU A 94 4.927 10.146 -0.137 1.00 0.81 H new ATOM 0 HD11 LEU A 94 4.016 12.388 -0.597 1.00 1.63 H new ATOM 0 HD12 LEU A 94 3.832 11.297 -1.991 1.00 1.63 H new ATOM 0 HD13 LEU A 94 2.431 11.665 -0.957 1.00 1.63 H new ATOM 0 HD21 LEU A 94 3.980 11.500 1.698 1.00 1.15 H new ATOM 0 HD22 LEU A 94 2.397 10.728 1.441 1.00 1.15 H new ATOM 0 HD23 LEU A 94 3.782 9.755 1.991 1.00 1.15 H new ATOM 1262 N ALA A 95 5.383 9.375 -3.156 1.00 0.66 N ATOM 1263 CA ALA A 95 5.730 10.151 -4.343 1.00 0.75 C ATOM 1264 C ALA A 95 5.261 9.463 -5.619 1.00 0.69 C ATOM 1265 O ALA A 95 4.548 10.057 -6.426 1.00 0.78 O ATOM 1266 CB ALA A 95 7.232 10.384 -4.396 1.00 0.86 C ATOM 0 H ALA A 95 6.175 9.165 -2.549 1.00 0.66 H new ATOM 0 HA ALA A 95 5.219 11.111 -4.274 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.479 10.964 -5.285 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.547 10.931 -3.507 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.748 9.425 -4.433 1.00 0.86 H new ATOM 1272 N LEU A 96 5.618 8.196 -5.773 1.00 0.65 N ATOM 1273 CA LEU A 96 5.193 7.425 -6.937 1.00 0.75 C ATOM 1274 C LEU A 96 3.835 6.778 -6.691 1.00 0.80 C ATOM 1275 O LEU A 96 3.190 6.296 -7.622 1.00 0.98 O ATOM 1276 CB LEU A 96 6.237 6.365 -7.325 1.00 1.12 C ATOM 1277 CG LEU A 96 6.400 5.174 -6.374 1.00 0.80 C ATOM 1278 CD1 LEU A 96 7.206 4.082 -7.053 1.00 1.50 C ATOM 1279 CD2 LEU A 96 7.084 5.591 -5.080 1.00 1.57 C ATOM 0 H LEU A 96 6.198 7.680 -5.111 1.00 0.65 H new ATOM 0 HA LEU A 96 5.099 8.118 -7.773 1.00 0.75 H new ATOM 0 HB2 LEU A 96 5.979 5.979 -8.311 1.00 1.12 H new ATOM 0 HB3 LEU A 96 7.204 6.859 -7.419 1.00 1.12 H new ATOM 0 HG LEU A 96 5.407 4.798 -6.127 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.319 3.237 -6.373 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.688 3.755 -7.955 1.00 1.50 H new ATOM 0 HD13 LEU A 96 8.190 4.468 -7.319 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.185 4.725 -4.426 1.00 1.57 H new ATOM 0 HD22 LEU A 96 8.072 5.994 -5.304 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.486 6.354 -4.582 1.00 1.57 H new ATOM 1289 N GLY A 97 3.378 6.833 -5.446 1.00 0.85 N ATOM 1290 CA GLY A 97 2.059 6.326 -5.116 1.00 1.14 C ATOM 1291 C GLY A 97 0.959 7.249 -5.602 1.00 1.15 C ATOM 1292 O GLY A 97 -0.023 6.804 -6.198 1.00 1.79 O ATOM 0 H GLY A 97 3.897 7.220 -4.658 1.00 0.85 H new ATOM 0 HA2 GLY A 97 1.928 5.340 -5.561 1.00 1.14 H new ATOM 0 HA3 GLY A 97 1.978 6.202 -4.036 1.00 1.14 H new