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 83 LYS NZ :NH3+ -157:sc= 0.241! (180deg=0.00979) USER MOD Set 1.2: A 84 TYR OH : rot 30:sc= 0.555 USER MOD Set 2.1: A 65 SER OG : rot -112:sc= 0.627 USER MOD Set 2.2: A 66 LYS NZ :NH3+ 141:sc= -2.48! (180deg=-7.25!) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0.564 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -140:sc= 1.96 (180deg=1.12) USER MOD Set 4.1: A 29 SER OG : rot -44:sc= -0.768 USER MOD Set 4.2: A 30 HIS : no HD1:sc= -2.27 X(o=-3,f=-3.2!) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= -1.49 (180deg=-1.61) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0961 (180deg=-0.83) USER MOD Single : A 14 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc=-0.00813 (180deg=-0.34) 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 -173:sc= -0.369 (180deg=-0.45) USER MOD Single : A 31 TYR OH : rot -14:sc= 0.903 USER MOD Single : A 33 GLN : amide:sc= -4.53 K(o=-4.5,f=-7.3!) USER MOD Single : A 35 THR OG1 : rot -84:sc= -0.0845 USER MOD Single : A 52 LYS NZ :NH3+ -120:sc= 0.833 (180deg=-0.00561) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.97) USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= -0.158 (180deg=-1.07) USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.744 USER MOD Single : A 70 MET CE :methyl -121:sc= 0 (180deg=-0.747) USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= 0.268 (180deg=-2.89!) USER MOD Single : A 73 TYR OH : rot 87:sc= -0.856 USER MOD Single : A 76 LYS NZ :NH3+ 144:sc= -1.45! (180deg=-4.15!) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.17) USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= 0.888 (180deg=-0.278) USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 2.034 7.327 11.271 1.00 1.26 N ATOM 32 CA ALA A 3 3.508 7.156 11.423 1.00 1.21 C ATOM 33 C ALA A 3 4.093 8.086 12.513 1.00 0.88 C ATOM 34 O ALA A 3 3.616 9.177 12.798 1.00 1.23 O ATOM 35 CB ALA A 3 4.138 7.432 10.022 1.00 3.67 C ATOM 0 HA ALA A 3 3.742 6.145 11.757 1.00 1.21 H new ATOM 0 HB1 ALA A 3 5.221 7.319 10.081 1.00 3.67 H new ATOM 0 HB2 ALA A 3 3.738 6.723 9.297 1.00 3.67 H new ATOM 0 HB3 ALA A 3 3.896 8.447 9.708 1.00 3.67 H new ATOM 41 N GLU A 4 5.170 7.631 13.082 1.00 0.38 N ATOM 42 CA GLU A 4 5.794 8.454 14.159 1.00 0.63 C ATOM 43 C GLU A 4 6.381 9.767 13.665 1.00 0.48 C ATOM 44 O GLU A 4 6.800 10.588 14.447 1.00 0.65 O ATOM 45 CB GLU A 4 6.830 7.558 14.848 1.00 1.16 C ATOM 46 CG GLU A 4 6.124 6.192 15.242 1.00 1.97 C ATOM 47 CD GLU A 4 4.743 6.327 15.941 1.00 4.90 C ATOM 48 OE1 GLU A 4 3.809 6.748 15.277 1.00 6.15 O ATOM 49 OE2 GLU A 4 4.668 6.007 17.111 1.00 6.47 O ATOM 0 H GLU A 4 5.637 6.752 12.860 1.00 0.38 H new ATOM 0 HA GLU A 4 5.031 8.777 14.867 1.00 0.63 H new ATOM 0 HB2 GLU A 4 7.673 7.372 14.183 1.00 1.16 H new ATOM 0 HB3 GLU A 4 7.227 8.050 15.736 1.00 1.16 H new ATOM 0 HG2 GLU A 4 5.997 5.596 14.338 1.00 1.97 H new ATOM 0 HG3 GLU A 4 6.791 5.635 15.900 1.00 1.97 H new ATOM 56 N PHE A 5 6.401 9.950 12.380 1.00 0.45 N ATOM 57 CA PHE A 5 6.948 11.217 11.802 1.00 0.57 C ATOM 58 C PHE A 5 5.928 12.318 12.082 1.00 0.66 C ATOM 59 O PHE A 5 6.237 13.314 12.708 1.00 0.73 O ATOM 60 CB PHE A 5 7.111 11.037 10.335 1.00 0.57 C ATOM 61 CG PHE A 5 7.355 12.418 9.731 1.00 0.59 C ATOM 62 CD1 PHE A 5 8.559 13.059 9.886 1.00 2.24 C ATOM 63 CD2 PHE A 5 6.345 13.038 9.038 1.00 2.64 C ATOM 64 CE1 PHE A 5 8.752 14.317 9.350 1.00 2.26 C ATOM 65 CE2 PHE A 5 6.525 14.282 8.507 1.00 2.63 C ATOM 66 CZ PHE A 5 7.729 14.929 8.656 1.00 0.59 C ATOM 0 H PHE A 5 6.061 9.276 11.694 1.00 0.45 H new ATOM 0 HA PHE A 5 7.913 11.475 12.238 1.00 0.57 H new ATOM 0 HB2 PHE A 5 7.947 10.371 10.120 1.00 0.57 H new ATOM 0 HB3 PHE A 5 6.220 10.581 9.903 1.00 0.57 H new ATOM 0 HD1 PHE A 5 9.359 12.577 10.429 1.00 2.24 H new ATOM 0 HD2 PHE A 5 5.397 12.536 8.912 1.00 2.64 H new ATOM 0 HE1 PHE A 5 9.700 14.820 9.474 1.00 2.26 H new ATOM 0 HE2 PHE A 5 5.720 14.760 7.968 1.00 2.63 H new ATOM 0 HZ PHE A 5 7.873 15.912 8.232 1.00 0.59 H new ATOM 76 N ASP A 6 4.735 12.112 11.610 1.00 0.70 N ATOM 77 CA ASP A 6 3.715 13.130 11.858 1.00 0.90 C ATOM 78 C ASP A 6 3.494 13.061 13.365 1.00 0.70 C ATOM 79 O ASP A 6 3.191 14.066 13.962 1.00 0.57 O ATOM 80 CB ASP A 6 2.608 12.715 10.928 1.00 1.34 C ATOM 81 CG ASP A 6 2.971 13.333 9.573 1.00 1.85 C ATOM 82 OD1 ASP A 6 3.168 14.538 9.515 1.00 3.57 O ATOM 83 OD2 ASP A 6 3.037 12.550 8.652 1.00 1.70 O ATOM 0 H ASP A 6 4.436 11.296 11.075 1.00 0.70 H new ATOM 0 HA ASP A 6 3.905 14.183 11.650 1.00 0.90 H new ATOM 0 HB2 ASP A 6 2.537 11.629 10.860 1.00 1.34 H new ATOM 0 HB3 ASP A 6 1.642 13.076 11.280 1.00 1.34 H new ATOM 88 N LYS A 7 3.642 11.901 13.965 1.00 0.72 N ATOM 89 CA LYS A 7 3.458 11.879 15.443 1.00 0.66 C ATOM 90 C LYS A 7 4.470 12.919 15.972 1.00 0.55 C ATOM 91 O LYS A 7 4.113 13.781 16.745 1.00 0.52 O ATOM 92 CB LYS A 7 3.820 10.537 16.020 1.00 0.66 C ATOM 93 CG LYS A 7 3.301 10.517 17.487 1.00 0.66 C ATOM 94 CD LYS A 7 2.958 9.069 17.906 1.00 1.08 C ATOM 95 CE LYS A 7 1.480 8.765 17.613 1.00 1.96 C ATOM 96 NZ LYS A 7 1.143 9.170 16.205 1.00 3.64 N ATOM 0 H LYS A 7 3.871 11.013 13.518 1.00 0.72 H new ATOM 0 HA LYS A 7 2.423 12.086 15.714 1.00 0.66 H new ATOM 0 HB2 LYS A 7 3.367 9.733 15.440 1.00 0.66 H new ATOM 0 HB3 LYS A 7 4.899 10.383 15.990 1.00 0.66 H new ATOM 0 HG2 LYS A 7 4.058 10.928 18.155 1.00 0.66 H new ATOM 0 HG3 LYS A 7 2.418 11.150 17.578 1.00 0.66 H new ATOM 0 HD2 LYS A 7 3.594 8.367 17.367 1.00 1.08 H new ATOM 0 HD3 LYS A 7 3.161 8.933 18.968 1.00 1.08 H new ATOM 0 HE2 LYS A 7 1.284 7.702 17.751 1.00 1.96 H new ATOM 0 HE3 LYS A 7 0.843 9.301 18.317 1.00 1.96 H new ATOM 0 HZ1 LYS A 7 0.167 8.885 15.986 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 1.232 10.202 16.110 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 1.797 8.704 15.544 1.00 3.64 H new ATOM 110 N ALA A 8 5.716 12.840 15.542 1.00 0.52 N ATOM 111 CA ALA A 8 6.686 13.853 16.057 1.00 0.44 C ATOM 112 C ALA A 8 6.145 15.272 15.774 1.00 0.47 C ATOM 113 O ALA A 8 6.122 16.128 16.625 1.00 0.51 O ATOM 114 CB ALA A 8 8.028 13.569 15.367 1.00 0.37 C ATOM 0 H ALA A 8 6.084 12.150 14.888 1.00 0.52 H new ATOM 0 HA ALA A 8 6.825 13.792 17.136 1.00 0.44 H new ATOM 0 HB1 ALA A 8 8.773 14.286 15.712 1.00 0.37 H new ATOM 0 HB2 ALA A 8 8.356 12.559 15.611 1.00 0.37 H new ATOM 0 HB3 ALA A 8 7.909 13.660 14.287 1.00 0.37 H new ATOM 120 N ALA A 9 5.714 15.459 14.575 1.00 0.45 N ATOM 121 CA ALA A 9 5.161 16.793 14.172 1.00 0.38 C ATOM 122 C ALA A 9 3.966 17.283 15.035 1.00 0.32 C ATOM 123 O ALA A 9 3.958 18.408 15.511 1.00 0.32 O ATOM 124 CB ALA A 9 4.726 16.705 12.702 1.00 0.48 C ATOM 0 H ALA A 9 5.714 14.751 13.841 1.00 0.45 H new ATOM 0 HA ALA A 9 5.954 17.525 14.326 1.00 0.38 H new ATOM 0 HB1 ALA A 9 4.319 17.665 12.385 1.00 0.48 H new ATOM 0 HB2 ALA A 9 5.587 16.453 12.082 1.00 0.48 H new ATOM 0 HB3 ALA A 9 3.963 15.934 12.594 1.00 0.48 H new ATOM 130 N GLU A 10 3.018 16.415 15.254 1.00 0.29 N ATOM 131 CA GLU A 10 1.802 16.737 16.037 1.00 0.26 C ATOM 132 C GLU A 10 2.236 16.913 17.505 1.00 0.23 C ATOM 133 O GLU A 10 1.773 17.814 18.177 1.00 0.20 O ATOM 134 CB GLU A 10 0.855 15.545 15.686 1.00 0.53 C ATOM 135 CG GLU A 10 -0.595 15.782 16.216 1.00 1.06 C ATOM 136 CD GLU A 10 -1.643 14.992 15.402 1.00 1.68 C ATOM 137 OE1 GLU A 10 -1.522 13.785 15.250 1.00 2.13 O ATOM 138 OE2 GLU A 10 -2.542 15.686 14.961 1.00 3.41 O ATOM 0 H GLU A 10 3.043 15.457 14.905 1.00 0.29 H new ATOM 0 HA GLU A 10 1.271 17.664 15.823 1.00 0.26 H new ATOM 0 HB2 GLU A 10 0.829 15.407 14.605 1.00 0.53 H new ATOM 0 HB3 GLU A 10 1.253 14.626 16.115 1.00 0.53 H new ATOM 0 HG2 GLU A 10 -0.651 15.486 17.264 1.00 1.06 H new ATOM 0 HG3 GLU A 10 -0.828 16.846 16.172 1.00 1.06 H new ATOM 145 N GLU A 11 3.104 16.070 17.990 1.00 0.25 N ATOM 146 CA GLU A 11 3.579 16.192 19.387 1.00 0.24 C ATOM 147 C GLU A 11 4.417 17.487 19.542 1.00 0.19 C ATOM 148 O GLU A 11 4.219 18.219 20.494 1.00 0.28 O ATOM 149 CB GLU A 11 4.374 14.910 19.659 1.00 0.31 C ATOM 150 CG GLU A 11 3.465 13.774 20.230 1.00 0.10 C ATOM 151 CD GLU A 11 2.249 13.283 19.413 1.00 2.66 C ATOM 152 OE1 GLU A 11 1.758 13.942 18.526 1.00 4.25 O ATOM 153 OE2 GLU A 11 1.852 12.190 19.770 1.00 3.23 O ATOM 0 H GLU A 11 3.507 15.293 17.467 1.00 0.25 H new ATOM 0 HA GLU A 11 2.772 16.283 20.115 1.00 0.24 H new ATOM 0 HB2 GLU A 11 4.843 14.570 18.736 1.00 0.31 H new ATOM 0 HB3 GLU A 11 5.177 15.123 20.365 1.00 0.31 H new ATOM 0 HG2 GLU A 11 4.102 12.910 20.416 1.00 0.10 H new ATOM 0 HG3 GLU A 11 3.093 14.110 21.198 1.00 0.10 H new ATOM 160 N VAL A 12 5.331 17.772 18.640 1.00 0.29 N ATOM 161 CA VAL A 12 6.159 19.028 18.757 1.00 0.18 C ATOM 162 C VAL A 12 5.162 20.166 18.820 1.00 0.15 C ATOM 163 O VAL A 12 5.282 21.030 19.664 1.00 0.23 O ATOM 164 CB VAL A 12 7.114 19.141 17.528 1.00 0.22 C ATOM 165 CG1 VAL A 12 6.651 20.111 16.417 1.00 0.25 C ATOM 166 CG2 VAL A 12 8.487 19.625 18.032 1.00 0.12 C ATOM 0 H VAL A 12 5.542 17.192 17.828 1.00 0.29 H new ATOM 0 HA VAL A 12 6.797 19.037 19.640 1.00 0.18 H new ATOM 0 HB VAL A 12 7.137 18.149 17.076 1.00 0.22 H new ATOM 0 HG11 VAL A 12 7.384 20.116 15.610 1.00 0.25 H new ATOM 0 HG12 VAL A 12 5.686 19.786 16.029 1.00 0.25 H new ATOM 0 HG13 VAL A 12 6.557 21.116 16.828 1.00 0.25 H new ATOM 0 HG21 VAL A 12 9.174 19.712 17.190 1.00 0.12 H new ATOM 0 HG22 VAL A 12 8.376 20.597 18.512 1.00 0.12 H new ATOM 0 HG23 VAL A 12 8.884 18.908 18.751 1.00 0.12 H new ATOM 176 N LYS A 13 4.193 20.162 17.937 1.00 0.21 N ATOM 177 CA LYS A 13 3.151 21.246 17.956 1.00 0.49 C ATOM 178 C LYS A 13 2.507 21.434 19.358 1.00 0.28 C ATOM 179 O LYS A 13 1.729 22.351 19.518 1.00 0.25 O ATOM 180 CB LYS A 13 1.996 20.917 16.999 1.00 0.93 C ATOM 181 CG LYS A 13 2.312 21.120 15.528 1.00 1.68 C ATOM 182 CD LYS A 13 0.919 20.985 14.826 1.00 1.60 C ATOM 183 CE LYS A 13 0.987 21.249 13.335 1.00 3.99 C ATOM 184 NZ LYS A 13 1.572 22.613 13.170 1.00 5.66 N ATOM 0 H LYS A 13 4.075 19.460 17.206 1.00 0.21 H new ATOM 0 HA LYS A 13 3.678 22.153 17.660 1.00 0.49 H new ATOM 0 HB2 LYS A 13 1.699 19.879 17.153 1.00 0.93 H new ATOM 0 HB3 LYS A 13 1.138 21.536 17.261 1.00 0.93 H new ATOM 0 HG2 LYS A 13 2.759 22.097 15.346 1.00 1.68 H new ATOM 0 HG3 LYS A 13 3.018 20.374 15.164 1.00 1.68 H new ATOM 0 HD2 LYS A 13 0.527 19.982 14.996 1.00 1.60 H new ATOM 0 HD3 LYS A 13 0.217 21.683 15.283 1.00 1.60 H new ATOM 0 HE2 LYS A 13 1.603 20.500 12.837 1.00 3.99 H new ATOM 0 HE3 LYS A 13 -0.005 21.196 12.886 1.00 3.99 H new ATOM 0 HZ1 LYS A 13 1.293 23.001 12.246 1.00 5.66 H new ATOM 0 HZ2 LYS A 13 1.222 23.235 13.926 1.00 5.66 H new ATOM 0 HZ3 LYS A 13 2.609 22.555 13.223 1.00 5.66 H new ATOM 198 N HIS A 14 2.843 20.585 20.291 1.00 0.19 N ATOM 199 CA HIS A 14 2.301 20.636 21.671 1.00 0.24 C ATOM 200 C HIS A 14 3.410 20.592 22.731 1.00 0.45 C ATOM 201 O HIS A 14 3.169 20.212 23.862 1.00 0.66 O ATOM 202 CB HIS A 14 1.329 19.453 21.817 1.00 0.46 C ATOM 203 CG HIS A 14 0.141 19.732 20.904 1.00 0.39 C ATOM 204 ND1 HIS A 14 0.016 19.323 19.684 1.00 0.26 N ATOM 205 CD2 HIS A 14 -1.008 20.454 21.155 1.00 0.59 C ATOM 206 CE1 HIS A 14 -1.115 19.752 19.206 1.00 0.48 C ATOM 207 NE2 HIS A 14 -1.779 20.459 20.087 1.00 0.63 N ATOM 0 H HIS A 14 3.504 19.823 20.139 1.00 0.19 H new ATOM 0 HA HIS A 14 1.783 21.581 21.835 1.00 0.24 H new ATOM 0 HB2 HIS A 14 1.816 18.518 21.540 1.00 0.46 H new ATOM 0 HB3 HIS A 14 1.003 19.348 22.852 1.00 0.46 H new ATOM 0 HD1 HIS A 14 0.695 18.755 19.178 1.00 0.26 H new ATOM 0 HD2 HIS A 14 -1.241 20.943 22.089 1.00 0.59 H new ATOM 0 HE1 HIS A 14 -1.465 19.550 18.204 1.00 0.48 H new ATOM 215 N LEU A 15 4.612 20.973 22.375 1.00 0.73 N ATOM 216 CA LEU A 15 5.662 20.934 23.431 1.00 1.19 C ATOM 217 C LEU A 15 5.309 21.877 24.587 1.00 1.14 C ATOM 218 O LEU A 15 4.782 22.963 24.433 1.00 1.10 O ATOM 219 CB LEU A 15 7.008 21.346 22.831 1.00 1.69 C ATOM 220 CG LEU A 15 7.609 20.167 22.088 1.00 1.79 C ATOM 221 CD1 LEU A 15 8.853 20.662 21.389 1.00 2.23 C ATOM 222 CD2 LEU A 15 8.032 19.052 23.066 1.00 2.35 C ATOM 0 H LEU A 15 4.900 21.293 21.450 1.00 0.73 H new ATOM 0 HA LEU A 15 5.724 19.917 23.818 1.00 1.19 H new ATOM 0 HB2 LEU A 15 6.874 22.188 22.152 1.00 1.69 H new ATOM 0 HB3 LEU A 15 7.684 21.677 23.619 1.00 1.69 H new ATOM 0 HG LEU A 15 6.871 19.766 21.393 1.00 1.79 H new ATOM 0 HD11 LEU A 15 9.315 19.840 20.842 1.00 2.23 H new ATOM 0 HD12 LEU A 15 8.587 21.457 20.692 1.00 2.23 H new ATOM 0 HD13 LEU A 15 9.556 21.047 22.127 1.00 2.23 H new ATOM 0 HD21 LEU A 15 8.459 18.220 22.506 1.00 2.35 H new ATOM 0 HD22 LEU A 15 8.775 19.441 23.762 1.00 2.35 H new ATOM 0 HD23 LEU A 15 7.161 18.706 23.622 1.00 2.35 H new ATOM 234 N LYS A 16 5.633 21.401 25.752 1.00 1.15 N ATOM 235 CA LYS A 16 5.364 22.177 26.999 1.00 1.12 C ATOM 236 C LYS A 16 6.106 23.526 26.991 1.00 0.94 C ATOM 237 O LYS A 16 5.715 24.491 27.616 1.00 1.04 O ATOM 238 CB LYS A 16 5.810 21.281 28.177 1.00 1.05 C ATOM 239 CG LYS A 16 5.055 21.694 29.450 1.00 1.48 C ATOM 240 CD LYS A 16 3.570 21.231 29.287 1.00 1.97 C ATOM 241 CE LYS A 16 2.723 21.613 30.475 1.00 2.43 C ATOM 242 NZ LYS A 16 2.630 23.108 30.495 1.00 1.97 N ATOM 0 H LYS A 16 6.079 20.496 25.900 1.00 1.15 H new ATOM 0 HA LYS A 16 4.306 22.425 27.086 1.00 1.12 H new ATOM 0 HB2 LYS A 16 5.611 20.234 27.947 1.00 1.05 H new ATOM 0 HB3 LYS A 16 6.885 21.375 28.332 1.00 1.05 H new ATOM 0 HG2 LYS A 16 5.506 21.234 30.329 1.00 1.48 H new ATOM 0 HG3 LYS A 16 5.107 22.773 29.593 1.00 1.48 H new ATOM 0 HD2 LYS A 16 3.149 21.675 28.385 1.00 1.97 H new ATOM 0 HD3 LYS A 16 3.540 20.150 29.154 1.00 1.97 H new ATOM 0 HE2 LYS A 16 1.731 21.167 30.399 1.00 2.43 H new ATOM 0 HE3 LYS A 16 3.168 21.243 31.399 1.00 2.43 H new ATOM 0 HZ1 LYS A 16 1.840 23.399 31.106 1.00 1.97 H new ATOM 0 HZ2 LYS A 16 3.517 23.506 30.864 1.00 1.97 H new ATOM 0 HZ3 LYS A 16 2.468 23.459 29.529 1.00 1.97 H new ATOM 256 N THR A 17 7.170 23.517 26.251 1.00 0.83 N ATOM 257 CA THR A 17 8.054 24.715 26.092 1.00 0.77 C ATOM 258 C THR A 17 8.276 24.997 24.594 1.00 1.10 C ATOM 259 O THR A 17 7.976 24.191 23.734 1.00 1.18 O ATOM 260 CB THR A 17 9.417 24.432 26.761 1.00 0.45 C ATOM 261 OG1 THR A 17 9.129 23.904 28.047 1.00 0.21 O ATOM 262 CG2 THR A 17 10.198 25.695 27.115 1.00 0.91 C ATOM 0 H THR A 17 7.482 22.700 25.726 1.00 0.83 H new ATOM 0 HA THR A 17 7.583 25.579 26.560 1.00 0.77 H new ATOM 0 HB THR A 17 9.980 23.805 26.070 1.00 0.45 H new ATOM 0 HG1 THR A 17 9.967 23.705 28.514 1.00 0.21 H new ATOM 0 HG21 THR A 17 11.144 25.419 27.581 1.00 0.91 H new ATOM 0 HG22 THR A 17 10.393 26.268 26.209 1.00 0.91 H new ATOM 0 HG23 THR A 17 9.615 26.301 27.809 1.00 0.91 H new ATOM 270 N LYS A 18 8.815 26.143 24.310 1.00 1.30 N ATOM 271 CA LYS A 18 9.079 26.504 22.884 1.00 1.58 C ATOM 272 C LYS A 18 10.555 26.111 22.697 1.00 1.51 C ATOM 273 O LYS A 18 11.411 26.666 23.363 1.00 1.51 O ATOM 274 CB LYS A 18 8.835 28.028 22.702 1.00 1.82 C ATOM 275 CG LYS A 18 9.860 28.890 23.490 1.00 4.28 C ATOM 276 CD LYS A 18 9.415 30.366 23.495 1.00 4.42 C ATOM 277 CE LYS A 18 8.119 30.537 24.287 1.00 2.17 C ATOM 278 NZ LYS A 18 7.786 31.994 24.282 1.00 2.46 N ATOM 0 H LYS A 18 9.086 26.848 24.996 1.00 1.30 H new ATOM 0 HA LYS A 18 8.440 26.010 22.153 1.00 1.58 H new ATOM 0 HB2 LYS A 18 8.892 28.278 21.643 1.00 1.82 H new ATOM 0 HB3 LYS A 18 7.826 28.274 23.034 1.00 1.82 H new ATOM 0 HG2 LYS A 18 9.945 28.524 24.513 1.00 4.28 H new ATOM 0 HG3 LYS A 18 10.847 28.801 23.037 1.00 4.28 H new ATOM 0 HD2 LYS A 18 10.198 30.986 23.932 1.00 4.42 H new ATOM 0 HD3 LYS A 18 9.270 30.711 22.471 1.00 4.42 H new ATOM 0 HE2 LYS A 18 7.314 29.957 23.837 1.00 2.17 H new ATOM 0 HE3 LYS A 18 8.241 30.174 25.307 1.00 2.17 H new ATOM 0 HZ1 LYS A 18 6.906 32.151 24.814 1.00 2.46 H new ATOM 0 HZ2 LYS A 18 8.559 32.528 24.727 1.00 2.46 H new ATOM 0 HZ3 LYS A 18 7.661 32.318 23.302 1.00 2.46 H new ATOM 292 N PRO A 19 10.846 25.160 21.833 1.00 1.49 N ATOM 293 CA PRO A 19 12.266 24.749 21.624 1.00 1.53 C ATOM 294 C PRO A 19 13.119 25.947 21.158 1.00 1.50 C ATOM 295 O PRO A 19 12.595 26.975 20.769 1.00 1.55 O ATOM 296 CB PRO A 19 12.140 23.581 20.619 1.00 1.64 C ATOM 297 CG PRO A 19 10.824 23.892 19.861 1.00 1.67 C ATOM 298 CD PRO A 19 9.890 24.399 20.972 1.00 1.50 C ATOM 0 HA PRO A 19 12.795 24.422 22.519 1.00 1.53 H new ATOM 0 HB2 PRO A 19 12.993 23.541 19.942 1.00 1.64 H new ATOM 0 HB3 PRO A 19 12.092 22.618 21.127 1.00 1.64 H new ATOM 0 HG2 PRO A 19 10.974 24.644 19.086 1.00 1.67 H new ATOM 0 HG3 PRO A 19 10.422 23.005 19.371 1.00 1.67 H new ATOM 0 HD2 PRO A 19 9.094 25.033 20.582 1.00 1.50 H new ATOM 0 HD3 PRO A 19 9.412 23.582 21.512 1.00 1.50 H new ATOM 306 N ALA A 20 14.415 25.793 21.189 1.00 1.45 N ATOM 307 CA ALA A 20 15.261 26.949 20.750 1.00 1.41 C ATOM 308 C ALA A 20 15.263 27.133 19.209 1.00 1.25 C ATOM 309 O ALA A 20 14.956 26.227 18.455 1.00 1.12 O ATOM 310 CB ALA A 20 16.675 26.676 21.307 1.00 1.47 C ATOM 0 H ALA A 20 14.913 24.954 21.486 1.00 1.45 H new ATOM 0 HA ALA A 20 14.862 27.888 21.134 1.00 1.41 H new ATOM 0 HB1 ALA A 20 17.343 27.488 21.019 1.00 1.47 H new ATOM 0 HB2 ALA A 20 16.631 26.610 22.394 1.00 1.47 H new ATOM 0 HB3 ALA A 20 17.051 25.737 20.901 1.00 1.47 H new ATOM 316 N ASP A 21 15.599 28.316 18.775 1.00 1.26 N ATOM 317 CA ASP A 21 15.649 28.644 17.316 1.00 1.12 C ATOM 318 C ASP A 21 16.148 27.482 16.455 1.00 1.05 C ATOM 319 O ASP A 21 15.397 26.942 15.667 1.00 0.95 O ATOM 320 CB ASP A 21 16.531 29.868 17.215 1.00 1.13 C ATOM 321 CG ASP A 21 15.862 30.959 18.030 1.00 1.85 C ATOM 322 OD1 ASP A 21 16.117 30.964 19.224 1.00 4.17 O ATOM 323 OD2 ASP A 21 15.128 31.697 17.400 1.00 1.84 O ATOM 0 H ASP A 21 15.849 29.093 19.387 1.00 1.26 H new ATOM 0 HA ASP A 21 14.651 28.837 16.922 1.00 1.12 H new ATOM 0 HB2 ASP A 21 17.530 29.657 17.597 1.00 1.13 H new ATOM 0 HB3 ASP A 21 16.646 30.177 16.176 1.00 1.13 H new ATOM 328 N GLU A 22 17.393 27.121 16.616 1.00 1.08 N ATOM 329 CA GLU A 22 17.919 25.983 15.799 1.00 0.96 C ATOM 330 C GLU A 22 17.047 24.714 15.954 1.00 0.85 C ATOM 331 O GLU A 22 16.877 23.989 14.988 1.00 0.60 O ATOM 332 CB GLU A 22 19.412 25.698 16.222 1.00 1.19 C ATOM 333 CG GLU A 22 20.407 26.694 15.502 1.00 1.74 C ATOM 334 CD GLU A 22 21.873 26.461 15.921 1.00 1.89 C ATOM 335 OE1 GLU A 22 22.308 25.350 15.672 1.00 3.46 O ATOM 336 OE2 GLU A 22 22.468 27.386 16.454 1.00 1.40 O ATOM 0 H GLU A 22 18.057 27.551 17.261 1.00 1.08 H new ATOM 0 HA GLU A 22 17.883 26.260 14.745 1.00 0.96 H new ATOM 0 HB2 GLU A 22 19.512 25.797 17.303 1.00 1.19 H new ATOM 0 HB3 GLU A 22 19.675 24.671 15.970 1.00 1.19 H new ATOM 0 HG2 GLU A 22 20.317 26.577 14.422 1.00 1.74 H new ATOM 0 HG3 GLU A 22 20.123 27.720 15.736 1.00 1.74 H new ATOM 343 N GLU A 23 16.489 24.459 17.117 1.00 1.09 N ATOM 344 CA GLU A 23 15.649 23.233 17.284 1.00 1.11 C ATOM 345 C GLU A 23 14.378 23.388 16.405 1.00 1.09 C ATOM 346 O GLU A 23 14.077 22.528 15.596 1.00 1.10 O ATOM 347 CB GLU A 23 15.331 23.093 18.826 1.00 1.14 C ATOM 348 CG GLU A 23 16.684 22.835 19.622 1.00 1.16 C ATOM 349 CD GLU A 23 16.520 22.502 21.123 1.00 1.10 C ATOM 350 OE1 GLU A 23 15.697 23.131 21.780 1.00 2.09 O ATOM 351 OE2 GLU A 23 17.253 21.618 21.554 1.00 2.73 O ATOM 0 H GLU A 23 16.579 25.043 17.949 1.00 1.09 H new ATOM 0 HA GLU A 23 16.151 22.322 16.957 1.00 1.11 H new ATOM 0 HB2 GLU A 23 14.847 23.998 19.193 1.00 1.14 H new ATOM 0 HB3 GLU A 23 14.636 22.270 18.992 1.00 1.14 H new ATOM 0 HG2 GLU A 23 17.217 22.014 19.142 1.00 1.16 H new ATOM 0 HG3 GLU A 23 17.313 23.720 19.531 1.00 1.16 H new ATOM 358 N MET A 24 13.677 24.485 16.575 1.00 1.04 N ATOM 359 CA MET A 24 12.437 24.680 15.747 1.00 1.08 C ATOM 360 C MET A 24 12.843 24.720 14.260 1.00 0.85 C ATOM 361 O MET A 24 12.190 24.093 13.447 1.00 0.84 O ATOM 362 CB MET A 24 11.705 26.001 16.174 1.00 1.09 C ATOM 363 CG MET A 24 12.593 27.239 16.116 1.00 2.07 C ATOM 364 SD MET A 24 11.797 28.810 16.520 1.00 2.02 S ATOM 365 CE MET A 24 12.008 28.726 18.317 1.00 4.15 C ATOM 0 H MET A 24 13.898 25.235 17.230 1.00 1.04 H new ATOM 0 HA MET A 24 11.742 23.855 15.905 1.00 1.08 H new ATOM 0 HB2 MET A 24 10.842 26.153 15.526 1.00 1.09 H new ATOM 0 HB3 MET A 24 11.325 25.884 17.189 1.00 1.09 H new ATOM 0 HG2 MET A 24 13.430 27.093 16.799 1.00 2.07 H new ATOM 0 HG3 MET A 24 13.011 27.315 15.112 1.00 2.07 H new ATOM 0 HE1 MET A 24 11.471 29.551 18.785 1.00 4.15 H new ATOM 0 HE2 MET A 24 11.612 27.780 18.686 1.00 4.15 H new ATOM 0 HE3 MET A 24 13.068 28.797 18.563 1.00 4.15 H new ATOM 375 N LEU A 25 13.900 25.433 13.949 1.00 0.66 N ATOM 376 CA LEU A 25 14.403 25.550 12.565 1.00 0.44 C ATOM 377 C LEU A 25 14.640 24.141 12.035 1.00 0.28 C ATOM 378 O LEU A 25 14.185 23.822 10.957 1.00 0.18 O ATOM 379 CB LEU A 25 15.681 26.404 12.660 1.00 0.50 C ATOM 380 CG LEU A 25 15.297 27.894 12.541 1.00 0.60 C ATOM 381 CD1 LEU A 25 16.475 28.787 12.902 1.00 0.61 C ATOM 382 CD2 LEU A 25 15.016 28.170 11.081 1.00 0.68 C ATOM 0 H LEU A 25 14.447 25.954 14.634 1.00 0.66 H new ATOM 0 HA LEU A 25 13.714 26.030 11.870 1.00 0.44 H new ATOM 0 HB2 LEU A 25 16.188 26.220 13.607 1.00 0.50 H new ATOM 0 HB3 LEU A 25 16.377 26.130 11.867 1.00 0.50 H new ATOM 0 HG LEU A 25 14.451 28.092 13.199 1.00 0.60 H new ATOM 0 HD11 LEU A 25 16.180 29.832 12.811 1.00 0.61 H new ATOM 0 HD12 LEU A 25 16.784 28.585 13.928 1.00 0.61 H new ATOM 0 HD13 LEU A 25 17.306 28.584 12.226 1.00 0.61 H new ATOM 0 HD21 LEU A 25 14.740 29.217 10.955 1.00 0.68 H new ATOM 0 HD22 LEU A 25 15.908 27.957 10.492 1.00 0.68 H new ATOM 0 HD23 LEU A 25 14.197 27.536 10.742 1.00 0.68 H new ATOM 394 N PHE A 26 15.326 23.352 12.820 1.00 0.43 N ATOM 395 CA PHE A 26 15.629 21.942 12.428 1.00 0.39 C ATOM 396 C PHE A 26 14.271 21.283 12.171 1.00 0.24 C ATOM 397 O PHE A 26 14.054 20.739 11.115 1.00 0.19 O ATOM 398 CB PHE A 26 16.374 21.313 13.585 1.00 0.57 C ATOM 399 CG PHE A 26 16.873 19.905 13.258 1.00 0.45 C ATOM 400 CD1 PHE A 26 15.999 18.857 13.043 1.00 0.43 C ATOM 401 CD2 PHE A 26 18.232 19.673 13.190 1.00 0.40 C ATOM 402 CE1 PHE A 26 16.480 17.596 12.768 1.00 0.32 C ATOM 403 CE2 PHE A 26 18.714 18.415 12.916 1.00 0.35 C ATOM 404 CZ PHE A 26 17.839 17.375 12.706 1.00 0.29 C ATOM 0 H PHE A 26 15.695 23.629 13.730 1.00 0.43 H new ATOM 0 HA PHE A 26 16.249 21.841 11.537 1.00 0.39 H new ATOM 0 HB2 PHE A 26 17.222 21.943 13.854 1.00 0.57 H new ATOM 0 HB3 PHE A 26 15.720 21.271 14.456 1.00 0.57 H new ATOM 0 HD1 PHE A 26 14.934 19.027 13.091 1.00 0.43 H new ATOM 0 HD2 PHE A 26 18.923 20.487 13.353 1.00 0.40 H new ATOM 0 HE1 PHE A 26 15.792 16.780 12.601 1.00 0.32 H new ATOM 0 HE2 PHE A 26 19.779 18.244 12.866 1.00 0.35 H new ATOM 0 HZ PHE A 26 18.216 16.386 12.493 1.00 0.29 H new ATOM 414 N ILE A 27 13.378 21.336 13.128 1.00 0.38 N ATOM 415 CA ILE A 27 12.019 20.710 12.906 1.00 0.39 C ATOM 416 C ILE A 27 11.481 21.299 11.570 1.00 0.27 C ATOM 417 O ILE A 27 11.477 20.604 10.581 1.00 0.25 O ATOM 418 CB ILE A 27 11.137 21.084 14.112 1.00 0.53 C ATOM 419 CG1 ILE A 27 11.720 20.476 15.427 1.00 1.07 C ATOM 420 CG2 ILE A 27 9.690 20.600 13.927 1.00 1.02 C ATOM 421 CD1 ILE A 27 11.791 18.927 15.380 1.00 1.04 C ATOM 0 H ILE A 27 13.517 21.774 14.039 1.00 0.38 H new ATOM 0 HA ILE A 27 12.040 19.623 12.831 1.00 0.39 H new ATOM 0 HB ILE A 27 11.132 22.172 14.182 1.00 0.53 H new ATOM 0 HG12 ILE A 27 12.719 20.878 15.599 1.00 1.07 H new ATOM 0 HG13 ILE A 27 11.103 20.784 16.271 1.00 1.07 H new ATOM 0 HG21 ILE A 27 9.098 20.882 14.798 1.00 1.02 H new ATOM 0 HG22 ILE A 27 9.264 21.059 13.035 1.00 1.02 H new ATOM 0 HG23 ILE A 27 9.680 19.516 13.817 1.00 1.02 H new ATOM 0 HD11 ILE A 27 12.203 18.553 16.317 1.00 1.04 H new ATOM 0 HD12 ILE A 27 10.790 18.521 15.236 1.00 1.04 H new ATOM 0 HD13 ILE A 27 12.430 18.617 14.553 1.00 1.04 H new ATOM 433 N TYR A 28 11.014 22.520 11.574 1.00 0.36 N ATOM 434 CA TYR A 28 10.503 23.162 10.307 1.00 0.34 C ATOM 435 C TYR A 28 11.229 22.635 9.042 1.00 0.27 C ATOM 436 O TYR A 28 10.640 22.067 8.141 1.00 0.33 O ATOM 437 CB TYR A 28 10.703 24.686 10.347 1.00 0.35 C ATOM 438 CG TYR A 28 10.053 25.341 9.108 1.00 0.41 C ATOM 439 CD1 TYR A 28 10.733 25.445 7.905 1.00 2.24 C ATOM 440 CD2 TYR A 28 8.763 25.831 9.178 1.00 2.59 C ATOM 441 CE1 TYR A 28 10.129 26.025 6.807 1.00 2.23 C ATOM 442 CE2 TYR A 28 8.165 26.411 8.074 1.00 2.64 C ATOM 443 CZ TYR A 28 8.843 26.509 6.888 1.00 0.64 C ATOM 444 OH TYR A 28 8.217 27.085 5.803 1.00 0.80 O ATOM 0 H TYR A 28 10.961 23.112 12.403 1.00 0.36 H new ATOM 0 HA TYR A 28 9.445 22.907 10.251 1.00 0.34 H new ATOM 0 HB2 TYR A 28 10.263 25.094 11.257 1.00 0.35 H new ATOM 0 HB3 TYR A 28 11.767 24.920 10.375 1.00 0.35 H new ATOM 0 HD1 TYR A 28 11.743 25.070 7.826 1.00 2.24 H new ATOM 0 HD2 TYR A 28 8.215 25.760 10.106 1.00 2.59 H new ATOM 0 HE1 TYR A 28 10.671 26.100 5.876 1.00 2.23 H new ATOM 0 HE2 TYR A 28 7.156 26.789 8.148 1.00 2.64 H new ATOM 0 HH TYR A 28 7.313 27.364 6.057 1.00 0.80 H new ATOM 454 N SER A 29 12.520 22.814 8.997 1.00 0.16 N ATOM 455 CA SER A 29 13.347 22.370 7.829 1.00 0.18 C ATOM 456 C SER A 29 13.145 20.891 7.501 1.00 0.17 C ATOM 457 O SER A 29 12.724 20.529 6.418 1.00 0.25 O ATOM 458 CB SER A 29 14.842 22.721 8.197 1.00 0.19 C ATOM 459 OG SER A 29 15.158 21.997 9.385 1.00 0.21 O ATOM 0 H SER A 29 13.055 23.262 9.741 1.00 0.16 H new ATOM 0 HA SER A 29 13.046 22.884 6.916 1.00 0.18 H new ATOM 0 HB2 SER A 29 15.515 22.444 7.385 1.00 0.19 H new ATOM 0 HB3 SER A 29 14.959 23.793 8.356 1.00 0.19 H new ATOM 0 HG SER A 29 14.412 22.063 10.017 1.00 0.21 H new ATOM 465 N HIS A 30 13.453 20.073 8.457 1.00 0.09 N ATOM 466 CA HIS A 30 13.305 18.605 8.290 1.00 0.10 C ATOM 467 C HIS A 30 11.861 18.224 7.941 1.00 0.16 C ATOM 468 O HIS A 30 11.646 17.389 7.089 1.00 0.23 O ATOM 469 CB HIS A 30 13.793 17.977 9.613 1.00 0.10 C ATOM 470 CG HIS A 30 15.312 17.982 9.582 1.00 0.18 C ATOM 471 ND1 HIS A 30 16.000 16.958 9.235 1.00 2.37 N ATOM 472 CD2 HIS A 30 16.256 18.951 9.855 1.00 1.79 C ATOM 473 CE1 HIS A 30 17.268 17.236 9.276 1.00 1.91 C ATOM 474 NE2 HIS A 30 17.469 18.472 9.660 1.00 0.70 N ATOM 0 H HIS A 30 13.809 20.364 9.368 1.00 0.09 H new ATOM 0 HA HIS A 30 13.897 18.230 7.455 1.00 0.10 H new ATOM 0 HB2 HIS A 30 13.424 18.545 10.467 1.00 0.10 H new ATOM 0 HB3 HIS A 30 13.414 16.960 9.719 1.00 0.10 H new ATOM 0 HD2 HIS A 30 16.033 19.956 10.181 1.00 1.79 H new ATOM 0 HE1 HIS A 30 18.054 16.539 9.026 1.00 1.91 H new ATOM 0 HE2 HIS A 30 18.360 18.954 9.781 1.00 0.70 H new ATOM 482 N TYR A 31 10.885 18.828 8.562 1.00 0.14 N ATOM 483 CA TYR A 31 9.464 18.476 8.250 1.00 0.23 C ATOM 484 C TYR A 31 9.234 18.743 6.769 1.00 0.24 C ATOM 485 O TYR A 31 8.698 17.919 6.048 1.00 0.29 O ATOM 486 CB TYR A 31 8.488 19.353 9.059 1.00 0.30 C ATOM 487 CG TYR A 31 7.057 18.780 8.913 1.00 0.39 C ATOM 488 CD1 TYR A 31 6.674 17.634 9.592 1.00 0.53 C ATOM 489 CD2 TYR A 31 6.133 19.388 8.087 1.00 0.46 C ATOM 490 CE1 TYR A 31 5.398 17.113 9.449 1.00 0.71 C ATOM 491 CE2 TYR A 31 4.857 18.862 7.950 1.00 0.62 C ATOM 492 CZ TYR A 31 4.486 17.723 8.629 1.00 0.75 C ATOM 493 OH TYR A 31 3.221 17.201 8.479 1.00 0.99 O ATOM 0 H TYR A 31 11.007 19.550 9.272 1.00 0.14 H new ATOM 0 HA TYR A 31 9.288 17.431 8.506 1.00 0.23 H new ATOM 0 HB2 TYR A 31 8.781 19.372 10.109 1.00 0.30 H new ATOM 0 HB3 TYR A 31 8.520 20.382 8.700 1.00 0.30 H new ATOM 0 HD1 TYR A 31 7.381 17.140 10.242 1.00 0.53 H new ATOM 0 HD2 TYR A 31 6.406 20.280 7.543 1.00 0.46 H new ATOM 0 HE1 TYR A 31 5.120 16.219 9.988 1.00 0.71 H new ATOM 0 HE2 TYR A 31 4.145 19.352 7.302 1.00 0.62 H new ATOM 0 HH TYR A 31 3.200 16.287 8.833 1.00 0.99 H new ATOM 503 N LYS A 32 9.678 19.894 6.348 1.00 0.25 N ATOM 504 CA LYS A 32 9.475 20.216 4.915 1.00 0.27 C ATOM 505 C LYS A 32 10.265 19.195 4.058 1.00 0.27 C ATOM 506 O LYS A 32 9.707 18.610 3.151 1.00 0.43 O ATOM 507 CB LYS A 32 9.925 21.671 4.739 1.00 0.30 C ATOM 508 CG LYS A 32 9.044 22.683 5.546 1.00 0.35 C ATOM 509 CD LYS A 32 7.545 22.538 5.092 1.00 0.53 C ATOM 510 CE LYS A 32 7.010 23.824 4.501 1.00 0.52 C ATOM 511 NZ LYS A 32 6.714 24.765 5.617 1.00 2.33 N ATOM 0 H LYS A 32 10.154 20.599 6.911 1.00 0.25 H new ATOM 0 HA LYS A 32 8.439 20.136 4.586 1.00 0.27 H new ATOM 0 HB2 LYS A 32 10.963 21.766 5.058 1.00 0.30 H new ATOM 0 HB3 LYS A 32 9.891 21.931 3.681 1.00 0.30 H new ATOM 0 HG2 LYS A 32 9.133 22.490 6.615 1.00 0.35 H new ATOM 0 HG3 LYS A 32 9.391 23.702 5.376 1.00 0.35 H new ATOM 0 HD2 LYS A 32 7.464 21.738 4.356 1.00 0.53 H new ATOM 0 HD3 LYS A 32 6.933 22.248 5.946 1.00 0.53 H new ATOM 0 HE2 LYS A 32 7.740 24.261 3.820 1.00 0.52 H new ATOM 0 HE3 LYS A 32 6.109 23.629 3.920 1.00 0.52 H new ATOM 0 HZ1 LYS A 32 5.828 25.272 5.418 1.00 2.33 H new ATOM 0 HZ2 LYS A 32 6.616 24.231 6.504 1.00 2.33 H new ATOM 0 HZ3 LYS A 32 7.491 25.450 5.709 1.00 2.33 H new ATOM 525 N GLN A 33 11.527 18.978 4.345 1.00 0.19 N ATOM 526 CA GLN A 33 12.342 17.983 3.544 1.00 0.32 C ATOM 527 C GLN A 33 11.964 16.497 3.832 1.00 0.56 C ATOM 528 O GLN A 33 12.463 15.587 3.197 1.00 1.26 O ATOM 529 CB GLN A 33 13.822 18.236 3.873 1.00 0.63 C ATOM 530 CG GLN A 33 14.777 17.708 2.744 1.00 0.41 C ATOM 531 CD GLN A 33 14.706 18.512 1.433 1.00 2.03 C ATOM 532 OE1 GLN A 33 14.628 19.719 1.386 1.00 4.38 O ATOM 533 NE2 GLN A 33 14.743 17.839 0.329 1.00 1.28 N ATOM 0 H GLN A 33 12.036 19.442 5.097 1.00 0.19 H new ATOM 0 HA GLN A 33 12.133 18.133 2.485 1.00 0.32 H new ATOM 0 HB2 GLN A 33 13.984 19.305 4.014 1.00 0.63 H new ATOM 0 HB3 GLN A 33 14.072 17.749 4.816 1.00 0.63 H new ATOM 0 HG2 GLN A 33 15.802 17.725 3.113 1.00 0.41 H new ATOM 0 HG3 GLN A 33 14.532 16.667 2.533 1.00 0.41 H new ATOM 0 HE21 GLN A 33 14.809 16.821 0.354 1.00 1.28 H new ATOM 0 HE22 GLN A 33 14.707 18.326 -0.567 1.00 1.28 H new ATOM 542 N ALA A 34 11.087 16.266 4.772 1.00 0.22 N ATOM 543 CA ALA A 34 10.623 14.885 5.158 1.00 0.32 C ATOM 544 C ALA A 34 9.281 14.553 4.447 1.00 0.39 C ATOM 545 O ALA A 34 9.007 13.440 4.043 1.00 0.46 O ATOM 546 CB ALA A 34 10.434 14.854 6.678 1.00 0.26 C ATOM 0 H ALA A 34 10.649 17.009 5.317 1.00 0.22 H new ATOM 0 HA ALA A 34 11.361 14.143 4.855 1.00 0.32 H new ATOM 0 HB1 ALA A 34 10.098 13.863 6.983 1.00 0.26 H new ATOM 0 HB2 ALA A 34 11.381 15.082 7.167 1.00 0.26 H new ATOM 0 HB3 ALA A 34 9.689 15.595 6.967 1.00 0.26 H new ATOM 552 N THR A 35 8.473 15.572 4.334 1.00 0.46 N ATOM 553 CA THR A 35 7.116 15.448 3.674 1.00 0.57 C ATOM 554 C THR A 35 7.037 15.864 2.219 1.00 0.94 C ATOM 555 O THR A 35 6.559 15.127 1.381 1.00 1.47 O ATOM 556 CB THR A 35 6.081 16.301 4.395 1.00 0.69 C ATOM 557 OG1 THR A 35 6.623 17.609 4.298 1.00 1.02 O ATOM 558 CG2 THR A 35 6.064 16.026 5.871 1.00 0.63 C ATOM 0 H THR A 35 8.690 16.509 4.674 1.00 0.46 H new ATOM 0 HA THR A 35 6.924 14.377 3.733 1.00 0.57 H new ATOM 0 HB THR A 35 5.088 16.132 3.978 1.00 0.69 H new ATOM 0 HG1 THR A 35 7.276 17.747 5.016 1.00 1.02 H new ATOM 0 HG21 THR A 35 5.313 16.654 6.350 1.00 0.63 H new ATOM 0 HG22 THR A 35 5.823 14.977 6.043 1.00 0.63 H new ATOM 0 HG23 THR A 35 7.044 16.247 6.294 1.00 0.63 H new ATOM 566 N VAL A 36 7.517 17.040 1.985 1.00 0.71 N ATOM 567 CA VAL A 36 7.523 17.632 0.610 1.00 0.99 C ATOM 568 C VAL A 36 8.813 17.274 -0.147 1.00 0.97 C ATOM 569 O VAL A 36 8.786 16.834 -1.281 1.00 1.30 O ATOM 570 CB VAL A 36 7.392 19.187 0.738 1.00 1.09 C ATOM 571 CG1 VAL A 36 7.156 19.796 -0.656 1.00 1.35 C ATOM 572 CG2 VAL A 36 6.230 19.607 1.670 1.00 0.93 C ATOM 0 H VAL A 36 7.920 17.642 2.703 1.00 0.71 H new ATOM 0 HA VAL A 36 6.685 17.225 0.043 1.00 0.99 H new ATOM 0 HB VAL A 36 8.320 19.556 1.174 1.00 1.09 H new ATOM 0 HG11 VAL A 36 7.064 20.879 -0.569 1.00 1.35 H new ATOM 0 HG12 VAL A 36 7.997 19.554 -1.306 1.00 1.35 H new ATOM 0 HG13 VAL A 36 6.239 19.387 -1.081 1.00 1.35 H new ATOM 0 HG21 VAL A 36 6.182 20.695 1.725 1.00 0.93 H new ATOM 0 HG22 VAL A 36 5.290 19.222 1.275 1.00 0.93 H new ATOM 0 HG23 VAL A 36 6.398 19.201 2.667 1.00 0.93 H new ATOM 582 N GLY A 37 9.902 17.466 0.542 1.00 0.64 N ATOM 583 CA GLY A 37 11.270 17.193 -0.004 1.00 0.63 C ATOM 584 C GLY A 37 11.958 18.550 -0.143 1.00 0.27 C ATOM 585 O GLY A 37 11.957 19.350 0.775 1.00 0.23 O ATOM 0 H GLY A 37 9.904 17.815 1.500 1.00 0.64 H new ATOM 0 HA2 GLY A 37 11.831 16.540 0.664 1.00 0.63 H new ATOM 0 HA3 GLY A 37 11.210 16.688 -0.968 1.00 0.63 H new ATOM 589 N ASP A 38 12.547 18.759 -1.292 1.00 0.30 N ATOM 590 CA ASP A 38 13.245 20.030 -1.583 1.00 0.61 C ATOM 591 C ASP A 38 12.380 21.252 -1.277 1.00 0.71 C ATOM 592 O ASP A 38 11.174 21.174 -1.155 1.00 1.69 O ATOM 593 CB ASP A 38 13.635 19.943 -3.067 1.00 1.16 C ATOM 594 CG ASP A 38 14.800 19.004 -3.327 1.00 1.69 C ATOM 595 OD1 ASP A 38 15.115 18.225 -2.437 1.00 1.52 O ATOM 596 OD2 ASP A 38 15.295 19.155 -4.427 1.00 3.64 O ATOM 0 H ASP A 38 12.569 18.081 -2.053 1.00 0.30 H new ATOM 0 HA ASP A 38 14.121 20.160 -0.948 1.00 0.61 H new ATOM 0 HB2 ASP A 38 12.772 19.609 -3.643 1.00 1.16 H new ATOM 0 HB3 ASP A 38 13.893 20.939 -3.427 1.00 1.16 H new ATOM 601 N ILE A 39 13.028 22.374 -1.195 1.00 0.67 N ATOM 602 CA ILE A 39 12.277 23.609 -0.896 1.00 0.45 C ATOM 603 C ILE A 39 11.757 24.058 -2.257 1.00 0.41 C ATOM 604 O ILE A 39 12.484 24.459 -3.141 1.00 0.89 O ATOM 605 CB ILE A 39 13.292 24.520 -0.188 1.00 0.61 C ATOM 606 CG1 ILE A 39 12.472 25.675 0.366 1.00 0.71 C ATOM 607 CG2 ILE A 39 14.509 24.944 -1.068 1.00 0.76 C ATOM 608 CD1 ILE A 39 13.333 26.381 1.425 1.00 0.91 C ATOM 0 H ILE A 39 14.034 22.486 -1.321 1.00 0.67 H new ATOM 0 HA ILE A 39 11.413 23.556 -0.234 1.00 0.45 H new ATOM 0 HB ILE A 39 13.802 23.987 0.615 1.00 0.61 H new ATOM 0 HG12 ILE A 39 12.197 26.367 -0.430 1.00 0.71 H new ATOM 0 HG13 ILE A 39 11.544 25.311 0.806 1.00 0.71 H new ATOM 0 HG21 ILE A 39 15.172 25.585 -0.487 1.00 0.76 H new ATOM 0 HG22 ILE A 39 15.053 24.056 -1.389 1.00 0.76 H new ATOM 0 HG23 ILE A 39 14.153 25.488 -1.943 1.00 0.76 H new ATOM 0 HD11 ILE A 39 12.777 27.218 1.847 1.00 0.91 H new ATOM 0 HD12 ILE A 39 13.585 25.677 2.218 1.00 0.91 H new ATOM 0 HD13 ILE A 39 14.249 26.750 0.963 1.00 0.91 H new ATOM 805 N LYS A 52 12.711 33.602 6.903 1.00 1.72 N ATOM 806 CA LYS A 52 13.913 33.388 6.024 1.00 1.63 C ATOM 807 C LYS A 52 14.788 32.290 6.619 1.00 1.15 C ATOM 808 O LYS A 52 15.239 31.424 5.901 1.00 1.20 O ATOM 809 CB LYS A 52 14.649 34.777 5.893 1.00 1.92 C ATOM 810 CG LYS A 52 15.835 34.984 6.874 1.00 1.63 C ATOM 811 CD LYS A 52 17.029 34.223 6.320 1.00 2.07 C ATOM 812 CE LYS A 52 18.104 34.100 7.348 1.00 2.61 C ATOM 813 NZ LYS A 52 19.012 33.070 6.783 1.00 1.46 N ATOM 0 HA LYS A 52 13.642 33.048 5.024 1.00 1.63 H new ATOM 0 HB2 LYS A 52 15.018 34.881 4.873 1.00 1.92 H new ATOM 0 HB3 LYS A 52 13.922 35.573 6.052 1.00 1.92 H new ATOM 0 HG2 LYS A 52 16.069 36.044 6.973 1.00 1.63 H new ATOM 0 HG3 LYS A 52 15.577 34.620 7.869 1.00 1.63 H new ATOM 0 HD2 LYS A 52 16.715 33.231 5.996 1.00 2.07 H new ATOM 0 HD3 LYS A 52 17.418 34.737 5.441 1.00 2.07 H new ATOM 0 HE2 LYS A 52 18.620 35.047 7.504 1.00 2.61 H new ATOM 0 HE3 LYS A 52 17.702 33.794 8.314 1.00 2.61 H new ATOM 0 HZ1 LYS A 52 19.070 32.263 7.436 1.00 1.46 H new ATOM 0 HZ2 LYS A 52 18.643 32.748 5.866 1.00 1.46 H new ATOM 0 HZ3 LYS A 52 19.960 33.477 6.651 1.00 1.46 H new ATOM 827 N ALA A 53 14.989 32.368 7.909 1.00 0.77 N ATOM 828 CA ALA A 53 15.821 31.349 8.603 1.00 0.39 C ATOM 829 C ALA A 53 15.196 29.968 8.305 1.00 0.31 C ATOM 830 O ALA A 53 15.872 29.082 7.847 1.00 0.22 O ATOM 831 CB ALA A 53 15.803 31.699 10.088 1.00 0.04 C ATOM 0 H ALA A 53 14.609 33.098 8.511 1.00 0.77 H new ATOM 0 HA ALA A 53 16.858 31.327 8.269 1.00 0.39 H new ATOM 0 HB1 ALA A 53 16.403 30.975 10.640 1.00 0.04 H new ATOM 0 HB2 ALA A 53 16.216 32.697 10.232 1.00 0.04 H new ATOM 0 HB3 ALA A 53 14.777 31.675 10.455 1.00 0.04 H new ATOM 837 N LYS A 54 13.919 29.829 8.556 1.00 0.52 N ATOM 838 CA LYS A 54 13.217 28.522 8.293 1.00 0.75 C ATOM 839 C LYS A 54 13.334 28.100 6.814 1.00 0.69 C ATOM 840 O LYS A 54 13.537 26.934 6.511 1.00 0.66 O ATOM 841 CB LYS A 54 11.712 28.642 8.666 1.00 1.41 C ATOM 842 CG LYS A 54 11.449 28.592 10.180 1.00 2.97 C ATOM 843 CD LYS A 54 11.956 29.904 10.803 1.00 5.25 C ATOM 844 CE LYS A 54 11.689 29.953 12.286 1.00 7.24 C ATOM 845 NZ LYS A 54 12.318 31.213 12.778 1.00 9.19 N ATOM 0 H LYS A 54 13.323 30.566 8.934 1.00 0.52 H new ATOM 0 HA LYS A 54 13.699 27.763 8.909 1.00 0.75 H new ATOM 0 HB2 LYS A 54 11.321 29.578 8.268 1.00 1.41 H new ATOM 0 HB3 LYS A 54 11.161 27.835 8.183 1.00 1.41 H new ATOM 0 HG2 LYS A 54 10.384 28.465 10.376 1.00 2.97 H new ATOM 0 HG3 LYS A 54 11.959 27.738 10.626 1.00 2.97 H new ATOM 0 HD2 LYS A 54 13.026 30.004 10.622 1.00 5.25 H new ATOM 0 HD3 LYS A 54 11.470 30.750 10.317 1.00 5.25 H new ATOM 0 HE2 LYS A 54 10.618 29.947 12.490 1.00 7.24 H new ATOM 0 HE3 LYS A 54 12.114 29.084 12.787 1.00 7.24 H new ATOM 0 HZ1 LYS A 54 12.164 31.300 13.803 1.00 9.19 H new ATOM 0 HZ2 LYS A 54 13.339 31.191 12.582 1.00 9.19 H new ATOM 0 HZ3 LYS A 54 11.890 32.027 12.293 1.00 9.19 H new ATOM 859 N TRP A 55 13.213 29.061 5.931 1.00 0.80 N ATOM 860 CA TRP A 55 13.305 28.761 4.474 1.00 0.94 C ATOM 861 C TRP A 55 14.694 28.270 4.185 1.00 0.79 C ATOM 862 O TRP A 55 14.889 27.154 3.769 1.00 0.71 O ATOM 863 CB TRP A 55 13.030 30.024 3.613 1.00 1.16 C ATOM 864 CG TRP A 55 12.918 29.617 2.107 1.00 1.15 C ATOM 865 CD1 TRP A 55 11.771 29.262 1.425 1.00 1.18 C ATOM 866 CD2 TRP A 55 13.965 29.524 1.241 1.00 1.14 C ATOM 867 NE1 TRP A 55 12.219 28.979 0.212 1.00 1.15 N ATOM 868 CE2 TRP A 55 13.501 29.108 0.007 1.00 1.15 C ATOM 869 CE3 TRP A 55 15.326 29.743 1.377 1.00 1.18 C ATOM 870 CZ2 TRP A 55 14.328 28.915 -1.084 1.00 1.21 C ATOM 871 CZ3 TRP A 55 16.191 29.552 0.305 1.00 1.26 C ATOM 872 CH2 TRP A 55 15.702 29.141 -0.934 1.00 1.29 C ATOM 0 H TRP A 55 13.054 30.042 6.160 1.00 0.80 H new ATOM 0 HA TRP A 55 12.556 28.011 4.222 1.00 0.94 H new ATOM 0 HB2 TRP A 55 12.108 30.506 3.940 1.00 1.16 H new ATOM 0 HB3 TRP A 55 13.833 30.749 3.746 1.00 1.16 H new ATOM 0 HD1 TRP A 55 10.756 29.224 1.792 1.00 1.18 H new ATOM 0 HE1 TRP A 55 11.589 28.673 -0.530 1.00 1.15 H new ATOM 0 HE3 TRP A 55 15.721 30.067 2.329 1.00 1.18 H new ATOM 0 HZ2 TRP A 55 13.923 28.596 -2.033 1.00 1.21 H new ATOM 0 HZ3 TRP A 55 17.250 29.723 0.433 1.00 1.26 H new ATOM 0 HH2 TRP A 55 16.374 28.999 -1.767 1.00 1.29 H new ATOM 883 N ASP A 56 15.640 29.112 4.430 1.00 0.78 N ATOM 884 CA ASP A 56 17.057 28.706 4.168 1.00 0.79 C ATOM 885 C ASP A 56 17.368 27.383 4.892 1.00 0.62 C ATOM 886 O ASP A 56 17.903 26.452 4.329 1.00 0.66 O ATOM 887 CB ASP A 56 17.971 29.844 4.641 1.00 0.79 C ATOM 888 CG ASP A 56 17.927 31.023 3.692 1.00 0.96 C ATOM 889 OD1 ASP A 56 17.909 30.849 2.488 1.00 2.44 O ATOM 890 OD2 ASP A 56 17.928 32.103 4.244 1.00 0.96 O ATOM 0 H ASP A 56 15.510 30.055 4.796 1.00 0.78 H new ATOM 0 HA ASP A 56 17.223 28.535 3.104 1.00 0.79 H new ATOM 0 HB2 ASP A 56 17.667 30.166 5.637 1.00 0.79 H new ATOM 0 HB3 ASP A 56 18.995 29.479 4.723 1.00 0.79 H new ATOM 895 N ALA A 57 17.009 27.325 6.142 1.00 0.42 N ATOM 896 CA ALA A 57 17.238 26.109 6.973 1.00 0.25 C ATOM 897 C ALA A 57 16.638 24.893 6.240 1.00 0.22 C ATOM 898 O ALA A 57 17.179 23.808 6.271 1.00 0.25 O ATOM 899 CB ALA A 57 16.569 26.325 8.330 1.00 0.05 C ATOM 0 H ALA A 57 16.553 28.091 6.637 1.00 0.42 H new ATOM 0 HA ALA A 57 18.301 25.927 7.130 1.00 0.25 H new ATOM 0 HB1 ALA A 57 16.724 25.446 8.956 1.00 0.05 H new ATOM 0 HB2 ALA A 57 17.005 27.198 8.816 1.00 0.05 H new ATOM 0 HB3 ALA A 57 15.500 26.485 8.187 1.00 0.05 H new ATOM 905 N TRP A 58 15.519 25.085 5.586 1.00 0.26 N ATOM 906 CA TRP A 58 14.936 23.918 4.861 1.00 0.27 C ATOM 907 C TRP A 58 15.792 23.777 3.594 1.00 0.34 C ATOM 908 O TRP A 58 16.220 22.685 3.291 1.00 0.34 O ATOM 909 CB TRP A 58 13.511 24.208 4.505 1.00 0.34 C ATOM 910 CG TRP A 58 12.952 23.105 3.569 1.00 0.28 C ATOM 911 CD1 TRP A 58 13.511 21.888 3.234 1.00 0.21 C ATOM 912 CD2 TRP A 58 11.782 23.227 2.919 1.00 0.31 C ATOM 913 NE1 TRP A 58 12.621 21.384 2.404 1.00 0.16 N ATOM 914 CE2 TRP A 58 11.549 22.103 2.146 1.00 0.21 C ATOM 915 CE3 TRP A 58 10.859 24.265 2.939 1.00 0.44 C ATOM 916 CZ2 TRP A 58 10.389 22.006 1.383 1.00 0.24 C ATOM 917 CZ3 TRP A 58 9.702 24.174 2.181 1.00 0.45 C ATOM 918 CH2 TRP A 58 9.463 23.048 1.397 1.00 0.36 C ATOM 0 H TRP A 58 15.002 25.962 5.523 1.00 0.26 H new ATOM 0 HA TRP A 58 14.940 23.005 5.457 1.00 0.27 H new ATOM 0 HB2 TRP A 58 12.908 24.265 5.411 1.00 0.34 H new ATOM 0 HB3 TRP A 58 13.442 25.179 4.015 1.00 0.34 H new ATOM 0 HD1 TRP A 58 14.443 21.458 3.568 1.00 0.21 H new ATOM 0 HE1 TRP A 58 12.758 20.468 1.976 1.00 0.16 H new ATOM 0 HE3 TRP A 58 11.042 25.141 3.544 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 10.207 21.127 0.782 1.00 0.24 H new ATOM 0 HZ3 TRP A 58 8.983 24.980 2.198 1.00 0.45 H new ATOM 0 HH2 TRP A 58 8.564 22.982 0.802 1.00 0.36 H new ATOM 929 N ASN A 59 16.025 24.841 2.877 1.00 0.42 N ATOM 930 CA ASN A 59 16.854 24.803 1.635 1.00 0.50 C ATOM 931 C ASN A 59 18.107 23.913 1.910 1.00 0.49 C ATOM 932 O ASN A 59 18.428 23.072 1.097 1.00 0.56 O ATOM 933 CB ASN A 59 17.104 26.281 1.381 1.00 0.66 C ATOM 934 CG ASN A 59 17.814 26.642 0.114 1.00 1.50 C ATOM 935 OD1 ASN A 59 17.654 26.065 -0.942 1.00 1.76 O ATOM 936 ND2 ASN A 59 18.617 27.645 0.214 1.00 2.16 N ATOM 0 H ASN A 59 15.663 25.767 3.107 1.00 0.42 H new ATOM 0 HA ASN A 59 16.418 24.350 0.745 1.00 0.50 H new ATOM 0 HB2 ASN A 59 16.142 26.793 1.388 1.00 0.66 H new ATOM 0 HB3 ASN A 59 17.681 26.676 2.217 1.00 0.66 H new ATOM 0 HD21 ASN A 59 19.133 27.969 -0.604 1.00 2.16 H new ATOM 0 HD22 ASN A 59 18.736 28.115 1.111 1.00 2.16 H new ATOM 943 N GLU A 60 18.741 24.132 3.038 1.00 0.40 N ATOM 944 CA GLU A 60 19.957 23.373 3.494 1.00 0.40 C ATOM 945 C GLU A 60 19.785 21.837 3.345 1.00 0.40 C ATOM 946 O GLU A 60 20.700 21.096 3.045 1.00 0.46 O ATOM 947 CB GLU A 60 20.251 23.663 4.999 1.00 0.22 C ATOM 948 CG GLU A 60 20.964 25.025 5.271 1.00 2.25 C ATOM 949 CD GLU A 60 21.185 25.261 6.784 1.00 1.99 C ATOM 950 OE1 GLU A 60 21.748 24.366 7.393 1.00 1.26 O ATOM 951 OE2 GLU A 60 20.798 26.320 7.261 1.00 3.08 O ATOM 0 H GLU A 60 18.447 24.849 3.701 1.00 0.40 H new ATOM 0 HA GLU A 60 20.777 23.708 2.859 1.00 0.40 H new ATOM 0 HB2 GLU A 60 19.311 23.644 5.550 1.00 0.22 H new ATOM 0 HB3 GLU A 60 20.870 22.858 5.396 1.00 0.22 H new ATOM 0 HG2 GLU A 60 21.924 25.043 4.756 1.00 2.25 H new ATOM 0 HG3 GLU A 60 20.366 25.838 4.859 1.00 2.25 H new ATOM 958 N LEU A 61 18.572 21.412 3.562 1.00 0.34 N ATOM 959 CA LEU A 61 18.223 19.972 3.484 1.00 0.27 C ATOM 960 C LEU A 61 17.922 19.462 2.073 1.00 0.09 C ATOM 961 O LEU A 61 18.022 18.263 1.879 1.00 0.29 O ATOM 962 CB LEU A 61 17.012 19.725 4.402 1.00 0.36 C ATOM 963 CG LEU A 61 17.235 20.258 5.835 1.00 0.40 C ATOM 964 CD1 LEU A 61 15.989 19.923 6.636 1.00 0.41 C ATOM 965 CD2 LEU A 61 18.438 19.590 6.533 1.00 0.44 C ATOM 0 H LEU A 61 17.789 22.022 3.796 1.00 0.34 H new ATOM 0 HA LEU A 61 19.101 19.412 3.805 1.00 0.27 H new ATOM 0 HB2 LEU A 61 16.132 20.204 3.973 1.00 0.36 H new ATOM 0 HB3 LEU A 61 16.805 18.656 4.444 1.00 0.36 H new ATOM 0 HG LEU A 61 17.433 21.328 5.779 1.00 0.40 H new ATOM 0 HD11 LEU A 61 16.106 20.284 7.658 1.00 0.41 H new ATOM 0 HD12 LEU A 61 15.123 20.402 6.179 1.00 0.41 H new ATOM 0 HD13 LEU A 61 15.843 18.843 6.647 1.00 0.41 H new ATOM 0 HD21 LEU A 61 18.550 20.000 7.537 1.00 0.44 H new ATOM 0 HD22 LEU A 61 18.270 18.515 6.597 1.00 0.44 H new ATOM 0 HD23 LEU A 61 19.344 19.782 5.959 1.00 0.44 H new ATOM 977 N LYS A 62 17.580 20.325 1.144 1.00 0.28 N ATOM 978 CA LYS A 62 17.269 19.898 -0.261 1.00 0.51 C ATOM 979 C LYS A 62 18.233 18.774 -0.696 1.00 1.00 C ATOM 980 O LYS A 62 19.437 18.935 -0.651 1.00 3.21 O ATOM 981 CB LYS A 62 17.375 21.174 -1.128 1.00 0.53 C ATOM 982 CG LYS A 62 17.210 20.766 -2.609 1.00 0.95 C ATOM 983 CD LYS A 62 18.514 21.021 -3.391 1.00 1.24 C ATOM 984 CE LYS A 62 18.828 22.502 -3.431 1.00 2.14 C ATOM 985 NZ LYS A 62 17.671 23.174 -4.103 1.00 2.36 N ATOM 0 H LYS A 62 17.502 21.329 1.304 1.00 0.28 H new ATOM 0 HA LYS A 62 16.270 19.475 -0.365 1.00 0.51 H new ATOM 0 HB2 LYS A 62 16.606 21.892 -0.843 1.00 0.53 H new ATOM 0 HB3 LYS A 62 18.338 21.660 -0.973 1.00 0.53 H new ATOM 0 HG2 LYS A 62 16.941 19.712 -2.673 1.00 0.95 H new ATOM 0 HG3 LYS A 62 16.394 21.331 -3.059 1.00 0.95 H new ATOM 0 HD2 LYS A 62 19.337 20.481 -2.923 1.00 1.24 H new ATOM 0 HD3 LYS A 62 18.417 20.636 -4.406 1.00 1.24 H new ATOM 0 HE2 LYS A 62 18.970 22.894 -2.424 1.00 2.14 H new ATOM 0 HE3 LYS A 62 19.752 22.686 -3.978 1.00 2.14 H new ATOM 0 HZ1 LYS A 62 17.989 24.068 -4.530 1.00 2.36 H new ATOM 0 HZ2 LYS A 62 17.291 22.552 -4.845 1.00 2.36 H new ATOM 0 HZ3 LYS A 62 16.928 23.370 -3.402 1.00 2.36 H new ATOM 999 N GLY A 63 17.672 17.671 -1.121 1.00 1.07 N ATOM 1000 CA GLY A 63 18.498 16.493 -1.549 1.00 0.68 C ATOM 1001 C GLY A 63 18.338 15.371 -0.510 1.00 0.63 C ATOM 1002 O GLY A 63 18.452 14.204 -0.836 1.00 0.82 O ATOM 0 H GLY A 63 16.664 17.531 -1.192 1.00 1.07 H new ATOM 0 HA2 GLY A 63 18.179 16.146 -2.532 1.00 0.68 H new ATOM 0 HA3 GLY A 63 19.546 16.779 -1.637 1.00 0.68 H new ATOM 1006 N THR A 64 18.081 15.742 0.724 1.00 0.51 N ATOM 1007 CA THR A 64 17.912 14.703 1.802 1.00 0.57 C ATOM 1008 C THR A 64 16.600 13.986 1.583 1.00 0.89 C ATOM 1009 O THR A 64 15.592 14.660 1.470 1.00 1.82 O ATOM 1010 CB THR A 64 17.843 15.334 3.189 1.00 0.66 C ATOM 1011 OG1 THR A 64 19.058 16.042 3.309 1.00 0.52 O ATOM 1012 CG2 THR A 64 17.987 14.314 4.295 1.00 0.86 C ATOM 0 H THR A 64 17.981 16.709 1.033 1.00 0.51 H new ATOM 0 HA THR A 64 18.769 14.031 1.750 1.00 0.57 H new ATOM 0 HB THR A 64 16.906 15.883 3.276 1.00 0.66 H new ATOM 0 HG1 THR A 64 18.974 16.913 2.867 1.00 0.52 H new ATOM 0 HG21 THR A 64 17.931 14.815 5.261 1.00 0.86 H new ATOM 0 HG22 THR A 64 17.185 13.580 4.220 1.00 0.86 H new ATOM 0 HG23 THR A 64 18.949 13.811 4.203 1.00 0.86 H new ATOM 1020 N SER A 65 16.592 12.678 1.543 1.00 0.37 N ATOM 1021 CA SER A 65 15.264 12.024 1.313 1.00 0.84 C ATOM 1022 C SER A 65 14.362 12.081 2.550 1.00 0.72 C ATOM 1023 O SER A 65 14.779 12.242 3.687 1.00 0.80 O ATOM 1024 CB SER A 65 15.456 10.560 0.921 1.00 1.38 C ATOM 1025 OG SER A 65 14.138 10.196 0.499 1.00 3.69 O ATOM 0 H SER A 65 17.397 12.061 1.652 1.00 0.37 H new ATOM 0 HA SER A 65 14.780 12.578 0.508 1.00 0.84 H new ATOM 0 HB2 SER A 65 16.188 10.443 0.122 1.00 1.38 H new ATOM 0 HB3 SER A 65 15.799 9.954 1.759 1.00 1.38 H new ATOM 0 HG SER A 65 13.759 9.550 1.131 1.00 3.69 H new ATOM 1031 N LYS A 66 13.111 11.914 2.236 1.00 0.80 N ATOM 1032 CA LYS A 66 12.029 11.938 3.252 1.00 0.91 C ATOM 1033 C LYS A 66 12.398 11.205 4.552 1.00 0.70 C ATOM 1034 O LYS A 66 12.321 11.756 5.620 1.00 0.52 O ATOM 1035 CB LYS A 66 10.810 11.308 2.615 1.00 1.09 C ATOM 1036 CG LYS A 66 10.303 12.151 1.417 1.00 1.53 C ATOM 1037 CD LYS A 66 9.502 11.279 0.402 1.00 1.15 C ATOM 1038 CE LYS A 66 10.430 10.370 -0.421 1.00 1.76 C ATOM 1039 NZ LYS A 66 10.814 9.190 0.403 1.00 2.35 N ATOM 0 H LYS A 66 12.784 11.756 1.283 1.00 0.80 H new ATOM 0 HA LYS A 66 11.844 12.971 3.547 1.00 0.91 H new ATOM 0 HB2 LYS A 66 11.053 10.301 2.277 1.00 1.09 H new ATOM 0 HB3 LYS A 66 10.017 11.213 3.357 1.00 1.09 H new ATOM 0 HG2 LYS A 66 9.670 12.960 1.782 1.00 1.53 H new ATOM 0 HG3 LYS A 66 11.151 12.613 0.911 1.00 1.53 H new ATOM 0 HD2 LYS A 66 8.777 10.668 0.940 1.00 1.15 H new ATOM 0 HD3 LYS A 66 8.938 11.927 -0.269 1.00 1.15 H new ATOM 0 HE2 LYS A 66 9.927 10.045 -1.332 1.00 1.76 H new ATOM 0 HE3 LYS A 66 11.320 10.920 -0.728 1.00 1.76 H new ATOM 0 HZ1 LYS A 66 10.832 8.340 -0.195 1.00 2.35 H new ATOM 0 HZ2 LYS A 66 11.757 9.345 0.813 1.00 2.35 H new ATOM 0 HZ3 LYS A 66 10.121 9.061 1.168 1.00 2.35 H new ATOM 1053 N GLU A 67 12.814 9.984 4.405 1.00 0.74 N ATOM 1054 CA GLU A 67 13.198 9.107 5.527 1.00 0.67 C ATOM 1055 C GLU A 67 14.279 9.667 6.477 1.00 0.47 C ATOM 1056 O GLU A 67 14.096 9.675 7.689 1.00 0.50 O ATOM 1057 CB GLU A 67 13.586 7.782 4.828 1.00 0.86 C ATOM 1058 CG GLU A 67 12.331 7.137 4.063 1.00 1.30 C ATOM 1059 CD GLU A 67 11.847 7.910 2.831 1.00 2.17 C ATOM 1060 OE1 GLU A 67 12.675 8.391 2.066 1.00 3.10 O ATOM 1061 OE2 GLU A 67 10.641 8.010 2.681 1.00 2.94 O ATOM 0 H GLU A 67 12.907 9.538 3.493 1.00 0.74 H new ATOM 0 HA GLU A 67 12.379 8.987 6.236 1.00 0.67 H new ATOM 0 HB2 GLU A 67 14.392 7.966 4.118 1.00 0.86 H new ATOM 0 HB3 GLU A 67 13.966 7.076 5.567 1.00 0.86 H new ATOM 0 HG2 GLU A 67 12.595 6.125 3.756 1.00 1.30 H new ATOM 0 HG3 GLU A 67 11.503 7.051 4.766 1.00 1.30 H new ATOM 1068 N ASP A 68 15.376 10.141 5.950 1.00 0.34 N ATOM 1069 CA ASP A 68 16.448 10.688 6.813 1.00 0.22 C ATOM 1070 C ASP A 68 15.869 11.846 7.603 1.00 0.28 C ATOM 1071 O ASP A 68 16.018 11.952 8.801 1.00 0.33 O ATOM 1072 CB ASP A 68 17.537 11.067 5.859 1.00 0.28 C ATOM 1073 CG ASP A 68 18.069 9.791 5.234 1.00 0.85 C ATOM 1074 OD1 ASP A 68 17.373 9.291 4.362 1.00 1.08 O ATOM 1075 OD2 ASP A 68 19.129 9.390 5.668 1.00 1.46 O ATOM 0 H ASP A 68 15.572 10.170 4.949 1.00 0.34 H new ATOM 0 HA ASP A 68 16.850 10.000 7.557 1.00 0.22 H new ATOM 0 HB2 ASP A 68 17.155 11.739 5.090 1.00 0.28 H new ATOM 0 HB3 ASP A 68 18.334 11.599 6.380 1.00 0.28 H new ATOM 1080 N ALA A 69 15.204 12.690 6.882 1.00 0.27 N ATOM 1081 CA ALA A 69 14.564 13.878 7.526 1.00 0.30 C ATOM 1082 C ALA A 69 13.569 13.325 8.590 1.00 0.27 C ATOM 1083 O ALA A 69 13.632 13.715 9.738 1.00 0.36 O ATOM 1084 CB ALA A 69 13.895 14.653 6.408 1.00 0.33 C ATOM 0 H ALA A 69 15.070 12.617 5.873 1.00 0.27 H new ATOM 0 HA ALA A 69 15.252 14.551 8.038 1.00 0.30 H new ATOM 0 HB1 ALA A 69 13.408 15.537 6.819 1.00 0.33 H new ATOM 0 HB2 ALA A 69 14.644 14.958 5.678 1.00 0.33 H new ATOM 0 HB3 ALA A 69 13.151 14.022 5.922 1.00 0.33 H new ATOM 1090 N MET A 70 12.681 12.446 8.202 1.00 0.22 N ATOM 1091 CA MET A 70 11.693 11.825 9.105 1.00 0.27 C ATOM 1092 C MET A 70 12.317 11.403 10.434 1.00 0.36 C ATOM 1093 O MET A 70 11.874 11.807 11.481 1.00 0.36 O ATOM 1094 CB MET A 70 11.135 10.624 8.374 1.00 0.41 C ATOM 1095 CG MET A 70 10.061 11.015 7.369 1.00 0.46 C ATOM 1096 SD MET A 70 9.292 9.685 6.412 1.00 0.72 S ATOM 1097 CE MET A 70 7.986 10.678 5.645 1.00 0.70 C ATOM 0 H MET A 70 12.607 12.123 7.237 1.00 0.22 H new ATOM 0 HA MET A 70 10.910 12.542 9.354 1.00 0.27 H new ATOM 0 HB2 MET A 70 11.943 10.107 7.857 1.00 0.41 H new ATOM 0 HB3 MET A 70 10.717 9.922 9.096 1.00 0.41 H new ATOM 0 HG2 MET A 70 9.273 11.542 7.906 1.00 0.46 H new ATOM 0 HG3 MET A 70 10.499 11.725 6.667 1.00 0.46 H new ATOM 0 HE1 MET A 70 7.012 10.269 5.915 1.00 0.70 H new ATOM 0 HE2 MET A 70 8.058 11.707 5.996 1.00 0.70 H new ATOM 0 HE3 MET A 70 8.101 10.656 4.561 1.00 0.70 H new ATOM 1107 N LYS A 71 13.332 10.597 10.312 1.00 0.46 N ATOM 1108 CA LYS A 71 14.032 10.104 11.466 1.00 0.55 C ATOM 1109 C LYS A 71 14.749 11.244 12.189 1.00 0.44 C ATOM 1110 O LYS A 71 14.552 11.366 13.376 1.00 0.55 O ATOM 1111 CB LYS A 71 15.019 9.057 11.010 1.00 0.61 C ATOM 1112 CG LYS A 71 15.085 8.187 12.214 1.00 2.59 C ATOM 1113 CD LYS A 71 16.288 7.245 12.165 1.00 2.77 C ATOM 1114 CE LYS A 71 16.359 6.455 13.475 1.00 5.18 C ATOM 1115 NZ LYS A 71 16.558 7.430 14.589 1.00 5.65 N ATOM 0 H LYS A 71 13.696 10.265 9.419 1.00 0.46 H new ATOM 0 HA LYS A 71 13.325 9.664 12.169 1.00 0.55 H new ATOM 0 HB2 LYS A 71 14.670 8.517 10.130 1.00 0.61 H new ATOM 0 HB3 LYS A 71 15.989 9.486 10.758 1.00 0.61 H new ATOM 0 HG2 LYS A 71 15.145 8.807 13.108 1.00 2.59 H new ATOM 0 HG3 LYS A 71 14.168 7.603 12.292 1.00 2.59 H new ATOM 0 HD2 LYS A 71 16.198 6.563 11.319 1.00 2.77 H new ATOM 0 HD3 LYS A 71 17.206 7.814 12.019 1.00 2.77 H new ATOM 0 HE2 LYS A 71 15.443 5.884 13.627 1.00 5.18 H new ATOM 0 HE3 LYS A 71 17.180 5.738 13.444 1.00 5.18 H new ATOM 0 HZ1 LYS A 71 17.110 6.982 15.348 1.00 5.65 H new ATOM 0 HZ2 LYS A 71 17.070 8.263 14.234 1.00 5.65 H new ATOM 0 HZ3 LYS A 71 15.633 7.725 14.961 1.00 5.65 H new ATOM 1129 N ALA A 72 15.527 12.050 11.507 1.00 0.35 N ATOM 1130 CA ALA A 72 16.253 13.179 12.163 1.00 0.36 C ATOM 1131 C ALA A 72 15.282 13.982 13.029 1.00 0.51 C ATOM 1132 O ALA A 72 15.570 14.373 14.140 1.00 0.80 O ATOM 1133 CB ALA A 72 16.852 14.026 11.033 1.00 0.28 C ATOM 0 H ALA A 72 15.691 11.969 10.504 1.00 0.35 H new ATOM 0 HA ALA A 72 17.046 12.830 12.824 1.00 0.36 H new ATOM 0 HB1 ALA A 72 17.396 14.869 11.459 1.00 0.28 H new ATOM 0 HB2 ALA A 72 17.535 13.415 10.443 1.00 0.28 H new ATOM 0 HB3 ALA A 72 16.052 14.397 10.393 1.00 0.28 H new ATOM 1139 N TYR A 73 14.148 14.173 12.413 1.00 0.32 N ATOM 1140 CA TYR A 73 12.988 14.916 12.980 1.00 0.30 C ATOM 1141 C TYR A 73 12.475 14.099 14.181 1.00 0.28 C ATOM 1142 O TYR A 73 12.702 14.475 15.312 1.00 0.39 O ATOM 1143 CB TYR A 73 12.002 15.024 11.790 1.00 0.28 C ATOM 1144 CG TYR A 73 10.731 15.829 12.038 1.00 0.25 C ATOM 1145 CD1 TYR A 73 10.736 17.186 11.827 1.00 0.21 C ATOM 1146 CD2 TYR A 73 9.569 15.221 12.463 1.00 0.38 C ATOM 1147 CE1 TYR A 73 9.606 17.931 12.034 1.00 0.28 C ATOM 1148 CE2 TYR A 73 8.429 15.977 12.673 1.00 0.51 C ATOM 1149 CZ TYR A 73 8.440 17.338 12.461 1.00 0.47 C ATOM 1150 OH TYR A 73 7.311 18.106 12.675 1.00 0.65 O ATOM 0 H TYR A 73 13.971 13.817 11.474 1.00 0.32 H new ATOM 0 HA TYR A 73 13.187 15.916 13.365 1.00 0.30 H new ATOM 0 HB2 TYR A 73 12.530 15.469 10.947 1.00 0.28 H new ATOM 0 HB3 TYR A 73 11.716 14.016 11.490 1.00 0.28 H new ATOM 0 HD1 TYR A 73 11.642 17.671 11.494 1.00 0.21 H new ATOM 0 HD2 TYR A 73 9.548 14.155 12.632 1.00 0.38 H new ATOM 0 HE1 TYR A 73 9.630 18.997 11.860 1.00 0.28 H new ATOM 0 HE2 TYR A 73 7.522 15.495 13.006 1.00 0.51 H new ATOM 0 HH TYR A 73 6.815 18.200 11.835 1.00 0.65 H new ATOM 1160 N ILE A 74 11.817 12.999 13.901 1.00 0.45 N ATOM 1161 CA ILE A 74 11.260 12.105 14.974 1.00 0.49 C ATOM 1162 C ILE A 74 12.219 12.061 16.148 1.00 0.44 C ATOM 1163 O ILE A 74 11.802 12.319 17.252 1.00 0.42 O ATOM 1164 CB ILE A 74 11.046 10.668 14.442 1.00 0.54 C ATOM 1165 CG1 ILE A 74 9.959 10.663 13.337 1.00 0.41 C ATOM 1166 CG2 ILE A 74 10.484 9.826 15.627 1.00 0.92 C ATOM 1167 CD1 ILE A 74 10.076 9.364 12.525 1.00 0.34 C ATOM 0 H ILE A 74 11.637 12.674 12.951 1.00 0.45 H new ATOM 0 HA ILE A 74 10.298 12.509 15.289 1.00 0.49 H new ATOM 0 HB ILE A 74 11.983 10.277 14.045 1.00 0.54 H new ATOM 0 HG12 ILE A 74 8.968 10.739 13.784 1.00 0.41 H new ATOM 0 HG13 ILE A 74 10.082 11.527 12.684 1.00 0.41 H new ATOM 0 HG21 ILE A 74 10.317 8.801 15.298 1.00 0.92 H new ATOM 0 HG22 ILE A 74 11.200 9.831 16.449 1.00 0.92 H new ATOM 0 HG23 ILE A 74 9.541 10.257 15.965 1.00 0.92 H new ATOM 0 HD11 ILE A 74 9.314 9.353 11.745 1.00 0.34 H new ATOM 0 HD12 ILE A 74 11.064 9.308 12.068 1.00 0.34 H new ATOM 0 HD13 ILE A 74 9.933 8.508 13.185 1.00 0.34 H new ATOM 1179 N ASP A 75 13.463 11.743 15.892 1.00 0.44 N ATOM 1180 CA ASP A 75 14.497 11.674 16.942 1.00 0.40 C ATOM 1181 C ASP A 75 14.522 13.033 17.645 1.00 0.40 C ATOM 1182 O ASP A 75 14.166 13.139 18.792 1.00 0.52 O ATOM 1183 CB ASP A 75 15.797 11.400 16.247 1.00 0.44 C ATOM 1184 CG ASP A 75 15.915 10.076 15.562 1.00 0.52 C ATOM 1185 OD1 ASP A 75 15.035 9.229 15.586 1.00 1.47 O ATOM 1186 OD2 ASP A 75 16.980 9.956 14.990 1.00 2.03 O ATOM 0 H ASP A 75 13.806 11.522 14.957 1.00 0.44 H new ATOM 0 HA ASP A 75 14.308 10.896 17.682 1.00 0.40 H new ATOM 0 HB2 ASP A 75 15.962 12.184 15.508 1.00 0.44 H new ATOM 0 HB3 ASP A 75 16.600 11.479 16.980 1.00 0.44 H new ATOM 1191 N LYS A 76 14.956 14.035 16.909 1.00 0.26 N ATOM 1192 CA LYS A 76 15.031 15.431 17.449 1.00 0.26 C ATOM 1193 C LYS A 76 13.868 15.668 18.395 1.00 0.21 C ATOM 1194 O LYS A 76 14.053 16.192 19.472 1.00 0.22 O ATOM 1195 CB LYS A 76 14.958 16.454 16.305 1.00 0.48 C ATOM 1196 CG LYS A 76 16.234 17.325 16.293 1.00 0.57 C ATOM 1197 CD LYS A 76 16.032 18.480 17.321 1.00 0.77 C ATOM 1198 CE LYS A 76 17.210 19.462 17.396 1.00 0.97 C ATOM 1199 NZ LYS A 76 17.670 19.816 16.008 1.00 0.41 N ATOM 0 H LYS A 76 15.266 13.940 15.942 1.00 0.26 H new ATOM 0 HA LYS A 76 15.977 15.551 17.977 1.00 0.26 H new ATOM 0 HB2 LYS A 76 14.851 15.938 15.351 1.00 0.48 H new ATOM 0 HB3 LYS A 76 14.078 17.085 16.426 1.00 0.48 H new ATOM 0 HG2 LYS A 76 17.107 16.728 16.556 1.00 0.57 H new ATOM 0 HG3 LYS A 76 16.412 17.728 15.296 1.00 0.57 H new ATOM 0 HD2 LYS A 76 15.129 19.031 17.060 1.00 0.77 H new ATOM 0 HD3 LYS A 76 15.868 18.049 18.309 1.00 0.77 H new ATOM 0 HE2 LYS A 76 16.910 20.364 17.930 1.00 0.97 H new ATOM 0 HE3 LYS A 76 18.031 19.017 17.958 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 17.967 20.812 15.984 1.00 0.41 H new ATOM 0 HZ2 LYS A 76 18.472 19.209 15.743 1.00 0.41 H new ATOM 0 HZ3 LYS A 76 16.889 19.671 15.336 1.00 0.41 H new ATOM 1213 N VAL A 77 12.702 15.264 17.964 1.00 0.27 N ATOM 1214 CA VAL A 77 11.508 15.455 18.818 1.00 0.41 C ATOM 1215 C VAL A 77 11.650 14.519 20.015 1.00 0.43 C ATOM 1216 O VAL A 77 11.528 15.016 21.107 1.00 0.61 O ATOM 1217 CB VAL A 77 10.260 15.156 17.967 1.00 0.43 C ATOM 1218 CG1 VAL A 77 9.019 15.304 18.870 1.00 0.47 C ATOM 1219 CG2 VAL A 77 10.187 16.245 16.861 1.00 0.47 C ATOM 0 H VAL A 77 12.532 14.814 17.064 1.00 0.27 H new ATOM 0 HA VAL A 77 11.411 16.474 19.193 1.00 0.41 H new ATOM 0 HB VAL A 77 10.302 14.156 17.536 1.00 0.43 H new ATOM 0 HG11 VAL A 77 8.120 15.097 18.290 1.00 0.47 H new ATOM 0 HG12 VAL A 77 9.086 14.599 19.699 1.00 0.47 H new ATOM 0 HG13 VAL A 77 8.972 16.320 19.261 1.00 0.47 H new ATOM 0 HG21 VAL A 77 9.313 16.069 16.234 1.00 0.47 H new ATOM 0 HG22 VAL A 77 10.109 17.229 17.324 1.00 0.47 H new ATOM 0 HG23 VAL A 77 11.088 16.203 16.249 1.00 0.47 H new ATOM 1229 N GLU A 78 11.886 13.243 19.851 1.00 0.37 N ATOM 1230 CA GLU A 78 12.033 12.374 21.054 1.00 0.42 C ATOM 1231 C GLU A 78 13.017 13.078 22.016 1.00 0.35 C ATOM 1232 O GLU A 78 12.702 13.183 23.187 1.00 0.32 O ATOM 1233 CB GLU A 78 12.587 10.979 20.679 1.00 0.47 C ATOM 1234 CG GLU A 78 12.675 10.160 22.037 1.00 0.67 C ATOM 1235 CD GLU A 78 12.693 8.628 21.895 1.00 0.60 C ATOM 1236 OE1 GLU A 78 12.505 8.107 20.810 1.00 1.80 O ATOM 1237 OE2 GLU A 78 12.886 8.055 22.963 1.00 2.56 O ATOM 0 H GLU A 78 11.982 12.772 18.951 1.00 0.37 H new ATOM 0 HA GLU A 78 11.058 12.226 21.518 1.00 0.42 H new ATOM 0 HB2 GLU A 78 11.933 10.479 19.964 1.00 0.47 H new ATOM 0 HB3 GLU A 78 13.567 11.062 20.210 1.00 0.47 H new ATOM 0 HG2 GLU A 78 13.576 10.467 22.567 1.00 0.67 H new ATOM 0 HG3 GLU A 78 11.827 10.438 22.663 1.00 0.67 H new ATOM 1244 N GLU A 79 14.139 13.574 21.537 1.00 0.31 N ATOM 1245 CA GLU A 79 15.078 14.254 22.496 1.00 0.29 C ATOM 1246 C GLU A 79 14.294 15.454 23.083 1.00 0.25 C ATOM 1247 O GLU A 79 14.048 15.489 24.270 1.00 0.19 O ATOM 1248 CB GLU A 79 16.363 14.745 21.744 1.00 0.38 C ATOM 1249 CG GLU A 79 17.324 13.541 21.427 1.00 0.66 C ATOM 1250 CD GLU A 79 16.832 12.647 20.289 1.00 2.07 C ATOM 1251 OE1 GLU A 79 16.884 13.157 19.184 1.00 2.50 O ATOM 1252 OE2 GLU A 79 16.450 11.532 20.604 1.00 4.24 O ATOM 0 H GLU A 79 14.438 13.541 20.562 1.00 0.31 H new ATOM 0 HA GLU A 79 15.409 13.576 23.283 1.00 0.29 H new ATOM 0 HB2 GLU A 79 16.079 15.242 20.817 1.00 0.38 H new ATOM 0 HB3 GLU A 79 16.886 15.482 22.353 1.00 0.38 H new ATOM 0 HG2 GLU A 79 18.309 13.931 21.171 1.00 0.66 H new ATOM 0 HG3 GLU A 79 17.444 12.937 22.326 1.00 0.66 H new ATOM 1259 N LEU A 80 13.896 16.391 22.268 1.00 0.30 N ATOM 1260 CA LEU A 80 13.130 17.571 22.782 1.00 0.32 C ATOM 1261 C LEU A 80 11.963 17.214 23.703 1.00 0.06 C ATOM 1262 O LEU A 80 11.613 17.958 24.588 1.00 0.50 O ATOM 1263 CB LEU A 80 12.625 18.341 21.574 1.00 0.66 C ATOM 1264 CG LEU A 80 13.796 18.859 20.734 1.00 1.11 C ATOM 1265 CD1 LEU A 80 13.188 19.540 19.528 1.00 1.47 C ATOM 1266 CD2 LEU A 80 14.615 19.878 21.506 1.00 1.17 C ATOM 0 H LEU A 80 14.067 16.394 21.262 1.00 0.30 H new ATOM 0 HA LEU A 80 13.804 18.164 23.400 1.00 0.32 H new ATOM 0 HB2 LEU A 80 11.991 17.697 20.965 1.00 0.66 H new ATOM 0 HB3 LEU A 80 12.008 19.178 21.902 1.00 0.66 H new ATOM 0 HG LEU A 80 14.456 18.035 20.461 1.00 1.11 H new ATOM 0 HD11 LEU A 80 13.982 19.930 18.891 1.00 1.47 H new ATOM 0 HD12 LEU A 80 12.593 18.821 18.966 1.00 1.47 H new ATOM 0 HD13 LEU A 80 12.550 20.361 19.857 1.00 1.47 H new ATOM 0 HD21 LEU A 80 15.439 20.228 20.885 1.00 1.17 H new ATOM 0 HD22 LEU A 80 13.982 20.722 21.779 1.00 1.17 H new ATOM 0 HD23 LEU A 80 15.013 19.416 22.410 1.00 1.17 H new ATOM 1278 N LYS A 81 11.378 16.082 23.506 1.00 0.28 N ATOM 1279 CA LYS A 81 10.218 15.633 24.342 1.00 0.17 C ATOM 1280 C LYS A 81 10.781 15.155 25.675 1.00 0.24 C ATOM 1281 O LYS A 81 10.263 15.534 26.704 1.00 0.32 O ATOM 1282 CB LYS A 81 9.500 14.532 23.543 1.00 0.28 C ATOM 1283 CG LYS A 81 8.331 13.900 24.340 1.00 0.51 C ATOM 1284 CD LYS A 81 7.521 12.973 23.363 1.00 0.66 C ATOM 1285 CE LYS A 81 6.730 11.886 24.129 1.00 1.67 C ATOM 1286 NZ LYS A 81 5.816 12.579 25.093 1.00 3.10 N ATOM 0 H LYS A 81 11.654 15.419 22.781 1.00 0.28 H new ATOM 0 HA LYS A 81 9.492 16.416 24.559 1.00 0.17 H new ATOM 0 HB2 LYS A 81 9.118 14.951 22.612 1.00 0.28 H new ATOM 0 HB3 LYS A 81 10.216 13.755 23.273 1.00 0.28 H new ATOM 0 HG2 LYS A 81 8.712 13.324 25.183 1.00 0.51 H new ATOM 0 HG3 LYS A 81 7.686 14.677 24.750 1.00 0.51 H new ATOM 0 HD2 LYS A 81 6.831 13.579 22.775 1.00 0.66 H new ATOM 0 HD3 LYS A 81 8.206 12.498 22.661 1.00 0.66 H new ATOM 0 HE2 LYS A 81 6.158 11.270 23.435 1.00 1.67 H new ATOM 0 HE3 LYS A 81 7.411 11.220 24.659 1.00 1.67 H new ATOM 0 HZ1 LYS A 81 5.100 11.908 25.436 1.00 3.10 H new ATOM 0 HZ2 LYS A 81 6.368 12.938 25.898 1.00 3.10 H new ATOM 0 HZ3 LYS A 81 5.345 13.373 24.615 1.00 3.10 H new ATOM 1300 N LYS A 82 11.813 14.359 25.610 1.00 0.34 N ATOM 1301 CA LYS A 82 12.477 13.822 26.844 1.00 0.52 C ATOM 1302 C LYS A 82 12.990 15.047 27.658 1.00 0.54 C ATOM 1303 O LYS A 82 12.948 15.088 28.869 1.00 0.62 O ATOM 1304 CB LYS A 82 13.645 12.919 26.379 1.00 0.63 C ATOM 1305 CG LYS A 82 13.100 11.723 25.575 1.00 1.08 C ATOM 1306 CD LYS A 82 12.824 10.511 26.501 1.00 1.51 C ATOM 1307 CE LYS A 82 12.021 9.453 25.724 1.00 0.66 C ATOM 1308 NZ LYS A 82 12.748 8.149 25.753 1.00 2.04 N ATOM 0 H LYS A 82 12.237 14.048 24.736 1.00 0.34 H new ATOM 0 HA LYS A 82 11.806 13.235 27.472 1.00 0.52 H new ATOM 0 HB2 LYS A 82 14.338 13.494 25.765 1.00 0.63 H new ATOM 0 HB3 LYS A 82 14.205 12.562 27.243 1.00 0.63 H new ATOM 0 HG2 LYS A 82 12.181 12.012 25.064 1.00 1.08 H new ATOM 0 HG3 LYS A 82 13.818 11.441 24.805 1.00 1.08 H new ATOM 0 HD2 LYS A 82 13.764 10.086 26.853 1.00 1.51 H new ATOM 0 HD3 LYS A 82 12.269 10.831 27.383 1.00 1.51 H new ATOM 0 HE2 LYS A 82 11.031 9.338 26.164 1.00 0.66 H new ATOM 0 HE3 LYS A 82 11.876 9.777 24.693 1.00 0.66 H new ATOM 0 HZ1 LYS A 82 12.940 7.837 24.780 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 13.647 8.264 26.263 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 12.164 7.437 26.236 1.00 2.04 H new ATOM 1322 N LYS A 83 13.455 15.996 26.890 1.00 0.58 N ATOM 1323 CA LYS A 83 14.036 17.320 27.331 1.00 0.58 C ATOM 1324 C LYS A 83 13.095 18.383 27.912 1.00 0.47 C ATOM 1325 O LYS A 83 13.291 18.924 28.978 1.00 0.54 O ATOM 1326 CB LYS A 83 14.727 17.919 26.122 1.00 0.52 C ATOM 1327 CG LYS A 83 15.658 19.121 26.439 1.00 0.65 C ATOM 1328 CD LYS A 83 15.943 19.784 25.062 1.00 0.61 C ATOM 1329 CE LYS A 83 16.857 21.006 25.185 1.00 0.85 C ATOM 1330 NZ LYS A 83 16.732 21.810 23.934 1.00 0.82 N ATOM 0 H LYS A 83 13.457 15.900 25.875 1.00 0.58 H new ATOM 0 HA LYS A 83 14.679 17.068 28.174 1.00 0.58 H new ATOM 0 HB2 LYS A 83 15.313 17.141 25.633 1.00 0.52 H new ATOM 0 HB3 LYS A 83 13.968 18.242 25.409 1.00 0.52 H new ATOM 0 HG2 LYS A 83 15.179 19.822 27.123 1.00 0.65 H new ATOM 0 HG3 LYS A 83 16.581 18.790 26.916 1.00 0.65 H new ATOM 0 HD2 LYS A 83 16.404 19.053 24.398 1.00 0.61 H new ATOM 0 HD3 LYS A 83 15.001 20.082 24.603 1.00 0.61 H new ATOM 0 HE2 LYS A 83 16.576 21.605 26.051 1.00 0.85 H new ATOM 0 HE3 LYS A 83 17.891 20.694 25.335 1.00 0.85 H new ATOM 0 HZ1 LYS A 83 17.582 22.396 23.812 1.00 0.82 H new ATOM 0 HZ2 LYS A 83 16.632 21.171 23.119 1.00 0.82 H new ATOM 0 HZ3 LYS A 83 15.895 22.424 23.998 1.00 0.82 H new ATOM 1344 N TYR A 84 12.091 18.642 27.150 1.00 0.39 N ATOM 1345 CA TYR A 84 11.035 19.659 27.501 1.00 0.50 C ATOM 1346 C TYR A 84 9.680 19.127 28.051 1.00 1.32 C ATOM 1347 O TYR A 84 9.054 19.820 28.832 1.00 2.20 O ATOM 1348 CB TYR A 84 10.760 20.521 26.232 1.00 0.75 C ATOM 1349 CG TYR A 84 11.960 21.425 25.873 1.00 0.88 C ATOM 1350 CD1 TYR A 84 12.413 22.361 26.781 1.00 3.02 C ATOM 1351 CD2 TYR A 84 12.600 21.334 24.648 1.00 2.08 C ATOM 1352 CE1 TYR A 84 13.482 23.185 26.478 1.00 3.56 C ATOM 1353 CE2 TYR A 84 13.667 22.164 24.356 1.00 1.95 C ATOM 1354 CZ TYR A 84 14.115 23.091 25.263 1.00 2.00 C ATOM 1355 OH TYR A 84 15.185 23.906 24.950 1.00 2.62 O ATOM 0 H TYR A 84 11.935 18.180 26.254 1.00 0.39 H new ATOM 0 HA TYR A 84 11.453 20.218 28.338 1.00 0.50 H new ATOM 0 HB2 TYR A 84 10.536 19.865 25.390 1.00 0.75 H new ATOM 0 HB3 TYR A 84 9.878 21.139 26.398 1.00 0.75 H new ATOM 0 HD1 TYR A 84 11.926 22.451 27.741 1.00 3.02 H new ATOM 0 HD2 TYR A 84 12.265 20.612 23.918 1.00 2.08 H new ATOM 0 HE1 TYR A 84 13.822 23.909 27.204 1.00 3.56 H new ATOM 0 HE2 TYR A 84 14.156 22.081 23.397 1.00 1.95 H new ATOM 0 HH TYR A 84 15.672 24.136 25.769 1.00 2.62 H new