USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 41 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Set 1.2: A 69 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.0407 USER MOD Set 2.2: A 24 ASN : amide:sc= -0.391 K(o=-0.35,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.546 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.0241 (180deg=-0.22) USER MOD Single : A 19 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.57) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0844 USER MOD Single : A 30 SER OG : rot -105:sc= -0.0322 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= -0.173 (180deg=-1.36) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00744 K(o=-0.0074,f=-1) USER MOD Single : A 60 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.028) USER MOD Single : A 62 THR OG1 : rot -170:sc= -1.1 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0383) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.19 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.117 8.633 6.780 1.00 0.00 N ATOM 2 CA GLY A 1 -6.228 8.423 5.348 1.00 0.00 C ATOM 3 C GLY A 1 -5.024 8.947 4.591 1.00 0.00 C ATOM 4 O GLY A 1 -5.129 9.914 3.836 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.964 8.258 7.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.274 8.141 7.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.033 9.651 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.344 7.358 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.128 8.916 4.980 1.00 0.00 H new ATOM 8 N SER A 2 -3.876 8.308 4.792 1.00 0.00 N ATOM 9 CA SER A 2 -2.645 8.719 4.126 1.00 0.00 C ATOM 10 C SER A 2 -1.646 7.567 4.073 1.00 0.00 C ATOM 11 O SER A 2 -1.454 6.851 5.056 1.00 0.00 O ATOM 12 CB SER A 2 -2.024 9.915 4.849 1.00 0.00 C ATOM 13 OG SER A 2 -3.024 10.799 5.326 1.00 0.00 O ATOM 0 H SER A 2 -3.772 7.504 5.411 1.00 0.00 H new ATOM 0 HA SER A 2 -2.893 9.010 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.417 9.564 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.357 10.447 4.171 1.00 0.00 H new ATOM 0 HG SER A 2 -2.601 11.554 5.786 1.00 0.00 H new ATOM 19 N SER A 3 -1.011 7.396 2.918 1.00 0.00 N ATOM 20 CA SER A 3 -0.034 6.329 2.734 1.00 0.00 C ATOM 21 C SER A 3 1.318 6.724 3.320 1.00 0.00 C ATOM 22 O SER A 3 2.018 7.577 2.776 1.00 0.00 O ATOM 23 CB SER A 3 0.119 6.000 1.248 1.00 0.00 C ATOM 24 OG SER A 3 1.365 5.375 0.989 1.00 0.00 O ATOM 0 H SER A 3 -1.155 7.982 2.096 1.00 0.00 H new ATOM 0 HA SER A 3 -0.395 5.445 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.693 5.345 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.038 6.914 0.660 1.00 0.00 H new ATOM 0 HG SER A 3 1.437 5.174 0.033 1.00 0.00 H new ATOM 30 N GLY A 4 1.678 6.097 4.436 1.00 0.00 N ATOM 31 CA GLY A 4 2.945 6.395 5.079 1.00 0.00 C ATOM 32 C GLY A 4 2.909 7.699 5.852 1.00 0.00 C ATOM 33 O GLY A 4 2.149 8.607 5.516 1.00 0.00 O ATOM 0 H GLY A 4 1.115 5.388 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.206 5.582 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.730 6.445 4.324 1.00 0.00 H new ATOM 37 N SER A 5 3.732 7.791 6.892 1.00 0.00 N ATOM 38 CA SER A 5 3.788 8.991 7.718 1.00 0.00 C ATOM 39 C SER A 5 4.790 9.994 7.153 1.00 0.00 C ATOM 40 O SER A 5 5.999 9.850 7.337 1.00 0.00 O ATOM 41 CB SER A 5 4.167 8.629 9.155 1.00 0.00 C ATOM 42 OG SER A 5 3.288 7.650 9.683 1.00 0.00 O ATOM 0 H SER A 5 4.369 7.049 7.182 1.00 0.00 H new ATOM 0 HA SER A 5 2.800 9.451 7.715 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.191 8.255 9.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.138 9.523 9.778 1.00 0.00 H new ATOM 0 HG SER A 5 3.552 7.434 10.602 1.00 0.00 H new ATOM 48 N SER A 6 4.278 11.009 6.465 1.00 0.00 N ATOM 49 CA SER A 6 5.127 12.034 5.869 1.00 0.00 C ATOM 50 C SER A 6 5.070 13.325 6.680 1.00 0.00 C ATOM 51 O SER A 6 4.639 14.365 6.183 1.00 0.00 O ATOM 52 CB SER A 6 4.699 12.305 4.426 1.00 0.00 C ATOM 53 OG SER A 6 5.782 12.799 3.657 1.00 0.00 O ATOM 0 H SER A 6 3.279 11.144 6.306 1.00 0.00 H new ATOM 0 HA SER A 6 6.154 11.668 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.319 11.387 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.882 13.027 4.415 1.00 0.00 H new ATOM 0 HG SER A 6 5.483 12.963 2.738 1.00 0.00 H new ATOM 59 N GLY A 7 5.508 13.250 7.933 1.00 0.00 N ATOM 60 CA GLY A 7 5.499 14.418 8.793 1.00 0.00 C ATOM 61 C GLY A 7 6.177 14.163 10.125 1.00 0.00 C ATOM 62 O GLY A 7 7.030 13.282 10.237 1.00 0.00 O ATOM 0 H GLY A 7 5.869 12.401 8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.000 15.243 8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.469 14.729 8.967 1.00 0.00 H new ATOM 66 N LEU A 8 5.799 14.936 11.137 1.00 0.00 N ATOM 67 CA LEU A 8 6.377 14.791 12.468 1.00 0.00 C ATOM 68 C LEU A 8 5.968 13.463 13.098 1.00 0.00 C ATOM 69 O LEU A 8 4.935 12.891 12.748 1.00 0.00 O ATOM 70 CB LEU A 8 5.940 15.950 13.365 1.00 0.00 C ATOM 71 CG LEU A 8 6.191 17.355 12.817 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.363 18.381 13.576 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.671 17.700 12.892 1.00 0.00 C ATOM 0 H LEU A 8 5.095 15.670 11.061 1.00 0.00 H new ATOM 0 HA LEU A 8 7.462 14.806 12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.874 15.845 13.566 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.455 15.857 14.321 1.00 0.00 H new ATOM 0 HG LEU A 8 5.886 17.376 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.555 19.375 13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.304 18.145 13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.635 18.360 14.631 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.831 18.704 12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.002 17.661 13.930 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.242 16.983 12.302 1.00 0.00 H new ATOM 85 N ARG A 9 6.783 12.980 14.030 1.00 0.00 N ATOM 86 CA ARG A 9 6.505 11.721 14.709 1.00 0.00 C ATOM 87 C ARG A 9 6.863 11.811 16.190 1.00 0.00 C ATOM 88 O ARG A 9 7.348 12.840 16.660 1.00 0.00 O ATOM 89 CB ARG A 9 7.286 10.580 14.054 1.00 0.00 C ATOM 90 CG ARG A 9 6.656 10.070 12.768 1.00 0.00 C ATOM 91 CD ARG A 9 5.292 9.450 13.024 1.00 0.00 C ATOM 92 NE ARG A 9 5.338 8.445 14.082 1.00 0.00 N ATOM 93 CZ ARG A 9 4.256 7.873 14.600 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.051 8.206 14.159 1.00 0.00 N ATOM 95 NH2 ARG A 9 4.379 6.966 15.561 1.00 0.00 N ATOM 0 H ARG A 9 7.641 13.442 14.332 1.00 0.00 H new ATOM 0 HA ARG A 9 5.437 11.519 14.622 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.300 10.920 13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.368 9.754 14.761 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.556 10.892 12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.312 9.331 12.308 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.584 10.232 13.297 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.923 8.993 12.106 1.00 0.00 H new ATOM 0 HE ARG A 9 6.250 8.167 14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.953 8.903 13.420 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.222 7.766 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.305 6.707 15.903 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.548 6.528 15.958 1.00 0.00 H new ATOM 109 N ARG A 10 6.618 10.727 16.920 1.00 0.00 N ATOM 110 CA ARG A 10 6.912 10.685 18.347 1.00 0.00 C ATOM 111 C ARG A 10 7.352 9.287 18.770 1.00 0.00 C ATOM 112 O ARG A 10 6.623 8.313 18.585 1.00 0.00 O ATOM 113 CB ARG A 10 5.686 11.112 19.155 1.00 0.00 C ATOM 114 CG ARG A 10 5.592 12.613 19.373 1.00 0.00 C ATOM 115 CD ARG A 10 4.188 13.030 19.783 1.00 0.00 C ATOM 116 NE ARG A 10 3.225 12.849 18.700 1.00 0.00 N ATOM 117 CZ ARG A 10 3.179 13.621 17.620 1.00 0.00 C ATOM 118 NH1 ARG A 10 4.038 14.622 17.480 1.00 0.00 N ATOM 119 NH2 ARG A 10 2.274 13.393 16.678 1.00 0.00 N ATOM 0 H ARG A 10 6.217 9.867 16.546 1.00 0.00 H new ATOM 0 HA ARG A 10 7.728 11.380 18.545 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.787 10.771 18.642 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.709 10.614 20.124 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.302 12.915 20.143 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.874 13.133 18.458 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.875 12.446 20.648 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.196 14.076 20.090 1.00 0.00 H new ATOM 0 HE ARG A 10 2.551 12.088 18.777 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.736 14.800 18.202 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.001 15.214 16.650 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.612 12.624 16.782 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.240 13.987 15.849 1.00 0.00 H new ATOM 133 N ALA A 11 8.550 9.196 19.339 1.00 0.00 N ATOM 134 CA ALA A 11 9.086 7.918 19.790 1.00 0.00 C ATOM 135 C ALA A 11 10.083 8.111 20.928 1.00 0.00 C ATOM 136 O ALA A 11 10.628 9.200 21.112 1.00 0.00 O ATOM 137 CB ALA A 11 9.742 7.182 18.631 1.00 0.00 C ATOM 0 H ALA A 11 9.167 9.992 19.498 1.00 0.00 H new ATOM 0 HA ALA A 11 8.258 7.317 20.166 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.138 6.229 18.982 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.004 7.002 17.850 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.555 7.787 18.229 1.00 0.00 H new ATOM 143 N THR A 12 10.317 7.048 21.691 1.00 0.00 N ATOM 144 CA THR A 12 11.247 7.101 22.812 1.00 0.00 C ATOM 145 C THR A 12 12.647 6.675 22.386 1.00 0.00 C ATOM 146 O THR A 12 12.819 5.990 21.378 1.00 0.00 O ATOM 147 CB THR A 12 10.779 6.203 23.972 1.00 0.00 C ATOM 148 OG1 THR A 12 10.213 4.993 23.457 1.00 0.00 O ATOM 149 CG2 THR A 12 9.754 6.922 24.835 1.00 0.00 C ATOM 0 H THR A 12 9.875 6.139 21.553 1.00 0.00 H new ATOM 0 HA THR A 12 11.274 8.136 23.152 1.00 0.00 H new ATOM 0 HB THR A 12 11.645 5.964 24.589 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.919 4.427 24.201 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.439 6.267 25.647 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.198 7.827 25.250 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.889 7.188 24.227 1.00 0.00 H new ATOM 157 N VAL A 13 13.646 7.084 23.161 1.00 0.00 N ATOM 158 CA VAL A 13 15.033 6.743 22.865 1.00 0.00 C ATOM 159 C VAL A 13 15.483 5.527 23.667 1.00 0.00 C ATOM 160 O VAL A 13 15.150 5.390 24.844 1.00 0.00 O ATOM 161 CB VAL A 13 15.978 7.921 23.166 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.416 7.548 22.842 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.551 9.158 22.389 1.00 0.00 C ATOM 0 H VAL A 13 13.521 7.652 23.999 1.00 0.00 H new ATOM 0 HA VAL A 13 15.081 6.511 21.801 1.00 0.00 H new ATOM 0 HB VAL A 13 15.918 8.150 24.230 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.069 8.393 23.061 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.715 6.692 23.447 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.496 7.292 21.786 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.230 9.981 22.614 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.580 8.945 21.320 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.537 9.436 22.676 1.00 0.00 H new ATOM 173 N GLU A 14 16.242 4.647 23.022 1.00 0.00 N ATOM 174 CA GLU A 14 16.738 3.442 23.677 1.00 0.00 C ATOM 175 C GLU A 14 17.836 3.781 24.680 1.00 0.00 C ATOM 176 O GLU A 14 17.659 3.621 25.889 1.00 0.00 O ATOM 177 CB GLU A 14 17.268 2.452 22.638 1.00 0.00 C ATOM 178 CG GLU A 14 17.563 1.073 23.205 1.00 0.00 C ATOM 179 CD GLU A 14 17.636 0.004 22.133 1.00 0.00 C ATOM 180 OE1 GLU A 14 17.288 0.303 20.971 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.043 -1.132 22.455 1.00 0.00 O ATOM 0 H GLU A 14 16.527 4.746 22.048 1.00 0.00 H new ATOM 0 HA GLU A 14 15.908 2.983 24.215 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.538 2.356 21.834 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.178 2.856 22.195 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.508 1.102 23.748 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.789 0.807 23.925 1.00 0.00 H new ATOM 188 N CYS A 15 18.971 4.247 24.171 1.00 0.00 N ATOM 189 CA CYS A 15 20.100 4.608 25.022 1.00 0.00 C ATOM 190 C CYS A 15 20.848 5.808 24.452 1.00 0.00 C ATOM 191 O CYS A 15 20.986 5.948 23.237 1.00 0.00 O ATOM 192 CB CYS A 15 21.053 3.420 25.170 1.00 0.00 C ATOM 193 SG CYS A 15 21.596 2.710 23.598 1.00 0.00 S ATOM 0 H CYS A 15 19.134 4.384 23.173 1.00 0.00 H new ATOM 0 HA CYS A 15 19.712 4.878 26.004 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.929 3.739 25.734 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.561 2.644 25.756 1.00 0.00 H new ATOM 0 HG CYS A 15 22.400 1.714 23.826 1.00 0.00 H new ATOM 199 N VAL A 16 21.329 6.674 25.339 1.00 0.00 N ATOM 200 CA VAL A 16 22.063 7.864 24.925 1.00 0.00 C ATOM 201 C VAL A 16 23.368 8.003 25.701 1.00 0.00 C ATOM 202 O VAL A 16 23.465 8.797 26.637 1.00 0.00 O ATOM 203 CB VAL A 16 21.223 9.139 25.123 1.00 0.00 C ATOM 204 CG1 VAL A 16 21.927 10.343 24.515 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.837 8.963 24.521 1.00 0.00 C ATOM 0 H VAL A 16 21.223 6.574 26.349 1.00 0.00 H new ATOM 0 HA VAL A 16 22.285 7.745 23.865 1.00 0.00 H new ATOM 0 HB VAL A 16 21.110 9.316 26.193 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.318 11.235 24.665 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.895 10.480 24.996 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.073 10.178 23.447 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.257 9.874 24.670 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.927 8.761 23.454 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.332 8.128 25.007 1.00 0.00 H new ATOM 215 N LYS A 17 24.370 7.224 25.307 1.00 0.00 N ATOM 216 CA LYS A 17 25.671 7.260 25.964 1.00 0.00 C ATOM 217 C LYS A 17 26.675 8.059 25.140 1.00 0.00 C ATOM 218 O LYS A 17 27.350 8.949 25.659 1.00 0.00 O ATOM 219 CB LYS A 17 26.193 5.838 26.185 1.00 0.00 C ATOM 220 CG LYS A 17 27.527 5.786 26.909 1.00 0.00 C ATOM 221 CD LYS A 17 28.218 4.448 26.709 1.00 0.00 C ATOM 222 CE LYS A 17 29.173 4.137 27.851 1.00 0.00 C ATOM 223 NZ LYS A 17 28.446 3.820 29.112 1.00 0.00 N ATOM 0 H LYS A 17 24.306 6.560 24.536 1.00 0.00 H new ATOM 0 HA LYS A 17 25.549 7.750 26.930 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.456 5.274 26.757 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.294 5.343 25.219 1.00 0.00 H new ATOM 0 HG2 LYS A 17 28.171 6.587 26.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 27.371 5.961 27.974 1.00 0.00 H new ATOM 0 HD2 LYS A 17 27.470 3.659 26.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 28.767 4.458 25.767 1.00 0.00 H new ATOM 0 HE2 LYS A 17 29.806 3.294 27.575 1.00 0.00 H new ATOM 0 HE3 LYS A 17 29.832 4.990 28.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 29.076 3.297 29.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 28.142 4.703 29.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.612 3.238 28.895 1.00 0.00 H new ATOM 237 N ASP A 18 26.767 7.738 23.854 1.00 0.00 N ATOM 238 CA ASP A 18 27.687 8.428 22.958 1.00 0.00 C ATOM 239 C ASP A 18 26.975 9.548 22.206 1.00 0.00 C ATOM 240 O ASP A 18 25.754 9.682 22.284 1.00 0.00 O ATOM 241 CB ASP A 18 28.302 7.441 21.964 1.00 0.00 C ATOM 242 CG ASP A 18 28.954 6.258 22.652 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.028 6.445 23.263 1.00 0.00 O ATOM 244 OD2 ASP A 18 28.391 5.146 22.581 1.00 0.00 O ATOM 0 H ASP A 18 26.216 7.004 23.409 1.00 0.00 H new ATOM 0 HA ASP A 18 28.482 8.867 23.561 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.527 7.082 21.286 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.044 7.958 21.355 1.00 0.00 H new ATOM 249 N GLN A 19 27.747 10.350 21.480 1.00 0.00 N ATOM 250 CA GLN A 19 27.189 11.460 20.716 1.00 0.00 C ATOM 251 C GLN A 19 26.045 10.987 19.824 1.00 0.00 C ATOM 252 O GLN A 19 25.115 11.741 19.539 1.00 0.00 O ATOM 253 CB GLN A 19 28.276 12.118 19.864 1.00 0.00 C ATOM 254 CG GLN A 19 29.191 13.042 20.653 1.00 0.00 C ATOM 255 CD GLN A 19 30.243 12.287 21.441 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.026 11.921 22.597 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.392 12.049 20.819 1.00 0.00 N ATOM 0 H GLN A 19 28.760 10.252 21.405 1.00 0.00 H new ATOM 0 HA GLN A 19 26.797 12.192 21.422 1.00 0.00 H new ATOM 0 HB2 GLN A 19 28.877 11.340 19.393 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.804 12.686 19.062 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.682 13.733 19.968 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.592 13.643 21.337 1.00 0.00 H new ATOM 0 HE21 GLN A 19 31.529 12.370 19.861 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.137 11.545 21.300 1.00 0.00 H new ATOM 266 N PHE A 20 26.121 9.734 19.388 1.00 0.00 N ATOM 267 CA PHE A 20 25.093 9.161 18.528 1.00 0.00 C ATOM 268 C PHE A 20 24.285 8.104 19.276 1.00 0.00 C ATOM 269 O PHE A 20 24.845 7.247 19.957 1.00 0.00 O ATOM 270 CB PHE A 20 25.727 8.545 17.279 1.00 0.00 C ATOM 271 CG PHE A 20 26.683 7.426 17.582 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.016 7.689 17.851 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.247 6.111 17.598 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.898 6.662 18.131 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.124 5.080 17.877 1.00 0.00 C ATOM 276 CZ PHE A 20 28.451 5.355 18.143 1.00 0.00 C ATOM 0 H PHE A 20 26.884 9.096 19.616 1.00 0.00 H new ATOM 0 HA PHE A 20 24.419 9.963 18.227 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.937 8.171 16.627 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.254 9.323 16.727 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.371 8.709 17.842 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.211 5.889 17.390 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.935 6.881 18.340 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.772 4.059 17.887 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.138 4.550 18.360 1.00 0.00 H new ATOM 286 N GLY A 21 22.964 8.174 19.143 1.00 0.00 N ATOM 287 CA GLY A 21 22.100 7.219 19.812 1.00 0.00 C ATOM 288 C GLY A 21 21.098 6.584 18.868 1.00 0.00 C ATOM 289 O GLY A 21 21.083 6.883 17.674 1.00 0.00 O ATOM 0 H GLY A 21 22.477 8.875 18.584 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.710 6.439 20.268 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.567 7.720 20.620 1.00 0.00 H new ATOM 293 N PHE A 22 20.259 5.704 19.404 1.00 0.00 N ATOM 294 CA PHE A 22 19.250 5.022 18.601 1.00 0.00 C ATOM 295 C PHE A 22 17.856 5.238 19.181 1.00 0.00 C ATOM 296 O PHE A 22 17.660 5.171 20.395 1.00 0.00 O ATOM 297 CB PHE A 22 19.556 3.525 18.523 1.00 0.00 C ATOM 298 CG PHE A 22 20.931 3.221 18.001 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.194 3.253 16.641 1.00 0.00 C ATOM 300 CD2 PHE A 22 21.962 2.903 18.871 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.458 2.973 16.158 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.228 2.623 18.393 1.00 0.00 C ATOM 303 CZ PHE A 22 23.477 2.657 17.035 1.00 0.00 C ATOM 0 H PHE A 22 20.258 5.446 20.391 1.00 0.00 H new ATOM 0 HA PHE A 22 19.275 5.444 17.596 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.448 3.088 19.516 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.818 3.044 17.881 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.401 3.500 15.950 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.774 2.874 19.934 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.649 3.001 15.095 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.023 2.378 19.082 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.466 2.437 16.660 1.00 0.00 H new ATOM 313 N ILE A 23 16.891 5.498 18.306 1.00 0.00 N ATOM 314 CA ILE A 23 15.515 5.723 18.730 1.00 0.00 C ATOM 315 C ILE A 23 14.633 4.525 18.395 1.00 0.00 C ATOM 316 O ILE A 23 14.766 3.922 17.331 1.00 0.00 O ATOM 317 CB ILE A 23 14.921 6.983 18.072 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.836 8.187 18.307 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.527 7.257 18.615 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.334 9.462 17.668 1.00 0.00 C ATOM 0 H ILE A 23 17.037 5.558 17.298 1.00 0.00 H new ATOM 0 HA ILE A 23 15.538 5.864 19.811 1.00 0.00 H new ATOM 0 HB ILE A 23 14.844 6.812 16.998 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.945 8.346 19.380 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.828 7.961 17.916 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.121 8.150 18.140 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.880 6.406 18.402 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.580 7.411 19.693 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.032 10.273 17.876 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.252 9.321 16.590 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.355 9.713 18.077 1.00 0.00 H new ATOM 332 N ASN A 24 13.730 4.187 19.310 1.00 0.00 N ATOM 333 CA ASN A 24 12.825 3.062 19.111 1.00 0.00 C ATOM 334 C ASN A 24 11.714 3.424 18.131 1.00 0.00 C ATOM 335 O ASN A 24 10.586 3.713 18.533 1.00 0.00 O ATOM 336 CB ASN A 24 12.219 2.625 20.447 1.00 0.00 C ATOM 337 CG ASN A 24 13.278 2.292 21.481 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.351 1.790 21.147 1.00 0.00 O ATOM 339 ND2 ASN A 24 12.979 2.571 22.744 1.00 0.00 N ATOM 0 H ASN A 24 13.606 4.676 20.196 1.00 0.00 H new ATOM 0 HA ASN A 24 13.400 2.236 18.692 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.579 3.420 20.830 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.584 1.753 20.287 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.652 2.369 23.484 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.077 2.987 22.975 1.00 0.00 H new ATOM 346 N TYR A 25 12.040 3.406 16.843 1.00 0.00 N ATOM 347 CA TYR A 25 11.070 3.734 15.804 1.00 0.00 C ATOM 348 C TYR A 25 11.396 3.004 14.505 1.00 0.00 C ATOM 349 O TYR A 25 12.553 2.689 14.231 1.00 0.00 O ATOM 350 CB TYR A 25 11.044 5.244 15.561 1.00 0.00 C ATOM 351 CG TYR A 25 9.950 5.686 14.616 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.614 5.629 14.993 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.252 6.160 13.345 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.611 6.031 14.132 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.256 6.566 12.479 1.00 0.00 C ATOM 356 CZ TYR A 25 7.937 6.499 12.876 1.00 0.00 C ATOM 357 OH TYR A 25 6.941 6.902 12.016 1.00 0.00 O ATOM 0 H TYR A 25 12.968 3.168 16.493 1.00 0.00 H new ATOM 0 HA TYR A 25 10.086 3.410 16.144 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.917 5.755 16.515 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.008 5.556 15.159 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.355 5.264 15.976 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.283 6.212 13.029 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.577 5.979 14.441 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.509 6.934 11.496 1.00 0.00 H new ATOM 0 HH TYR A 25 7.339 7.205 11.173 1.00 0.00 H new ATOM 367 N GLU A 26 10.365 2.738 13.709 1.00 0.00 N ATOM 368 CA GLU A 26 10.540 2.045 12.438 1.00 0.00 C ATOM 369 C GLU A 26 10.210 2.964 11.266 1.00 0.00 C ATOM 370 O GLU A 26 9.117 3.526 11.192 1.00 0.00 O ATOM 371 CB GLU A 26 9.656 0.797 12.386 1.00 0.00 C ATOM 372 CG GLU A 26 10.195 -0.293 11.475 1.00 0.00 C ATOM 373 CD GLU A 26 9.103 -1.202 10.944 1.00 0.00 C ATOM 374 OE1 GLU A 26 8.533 -1.974 11.742 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.819 -1.140 9.729 1.00 0.00 O ATOM 0 H GLU A 26 9.400 2.992 13.922 1.00 0.00 H new ATOM 0 HA GLU A 26 11.585 1.745 12.359 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.548 0.396 13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.660 1.082 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.720 0.166 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.926 -0.890 12.021 1.00 0.00 H new ATOM 382 N VAL A 27 11.163 3.114 10.352 1.00 0.00 N ATOM 383 CA VAL A 27 10.975 3.965 9.183 1.00 0.00 C ATOM 384 C VAL A 27 11.007 3.147 7.897 1.00 0.00 C ATOM 385 O VAL A 27 10.431 3.541 6.884 1.00 0.00 O ATOM 386 CB VAL A 27 12.054 5.062 9.108 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.804 6.131 10.161 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.440 4.457 9.269 1.00 0.00 C ATOM 0 H VAL A 27 12.074 2.657 10.398 1.00 0.00 H new ATOM 0 HA VAL A 27 9.997 4.434 9.287 1.00 0.00 H new ATOM 0 HB VAL A 27 12.000 5.534 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.576 6.897 10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.827 6.585 9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.829 5.678 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.190 5.246 9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.509 3.958 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.616 3.733 8.473 1.00 0.00 H new ATOM 398 N GLY A 28 11.683 2.003 7.946 1.00 0.00 N ATOM 399 CA GLY A 28 11.777 1.147 6.779 1.00 0.00 C ATOM 400 C GLY A 28 12.909 0.143 6.885 1.00 0.00 C ATOM 401 O GLY A 28 14.072 0.483 6.667 1.00 0.00 O ATOM 0 H GLY A 28 12.167 1.654 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.835 0.615 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.924 1.763 5.892 1.00 0.00 H new ATOM 405 N ASP A 29 12.568 -1.095 7.223 1.00 0.00 N ATOM 406 CA ASP A 29 13.565 -2.152 7.360 1.00 0.00 C ATOM 407 C ASP A 29 14.620 -1.773 8.394 1.00 0.00 C ATOM 408 O ASP A 29 15.819 -1.922 8.155 1.00 0.00 O ATOM 409 CB ASP A 29 14.231 -2.431 6.011 1.00 0.00 C ATOM 410 CG ASP A 29 15.047 -3.708 6.022 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.085 -4.378 7.075 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.648 -4.038 4.978 1.00 0.00 O ATOM 0 H ASP A 29 11.610 -1.392 7.407 1.00 0.00 H new ATOM 0 HA ASP A 29 13.058 -3.055 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.465 -2.499 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.876 -1.593 5.747 1.00 0.00 H new ATOM 417 N SER A 30 14.166 -1.283 9.543 1.00 0.00 N ATOM 418 CA SER A 30 15.072 -0.878 10.612 1.00 0.00 C ATOM 419 C SER A 30 14.293 -0.470 11.858 1.00 0.00 C ATOM 420 O SER A 30 13.448 0.425 11.812 1.00 0.00 O ATOM 421 CB SER A 30 15.957 0.280 10.148 1.00 0.00 C ATOM 422 OG SER A 30 16.911 0.622 11.139 1.00 0.00 O ATOM 0 H SER A 30 13.177 -1.157 9.758 1.00 0.00 H new ATOM 0 HA SER A 30 15.703 -1.730 10.862 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.469 0.004 9.226 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.337 1.147 9.921 1.00 0.00 H new ATOM 0 HG SER A 30 16.642 1.456 11.577 1.00 0.00 H new ATOM 428 N LYS A 31 14.583 -1.133 12.973 1.00 0.00 N ATOM 429 CA LYS A 31 13.912 -0.840 14.234 1.00 0.00 C ATOM 430 C LYS A 31 14.739 0.122 15.080 1.00 0.00 C ATOM 431 O LYS A 31 14.635 0.133 16.307 1.00 0.00 O ATOM 432 CB LYS A 31 13.659 -2.133 15.013 1.00 0.00 C ATOM 433 CG LYS A 31 12.476 -2.934 14.496 1.00 0.00 C ATOM 434 CD LYS A 31 12.047 -3.999 15.490 1.00 0.00 C ATOM 435 CE LYS A 31 13.020 -5.168 15.510 1.00 0.00 C ATOM 436 NZ LYS A 31 13.070 -5.826 16.845 1.00 0.00 N ATOM 0 H LYS A 31 15.279 -1.877 13.029 1.00 0.00 H new ATOM 0 HA LYS A 31 12.957 -0.367 14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.554 -2.754 14.970 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.491 -1.888 16.062 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.640 -2.263 14.297 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.740 -3.404 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.981 -3.562 16.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.051 -4.358 15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.726 -5.898 14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.016 -4.816 15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.744 -6.617 16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.375 -5.136 17.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.125 -6.185 17.091 1.00 0.00 H new ATOM 450 N LYS A 32 15.560 0.930 14.417 1.00 0.00 N ATOM 451 CA LYS A 32 16.404 1.898 15.108 1.00 0.00 C ATOM 452 C LYS A 32 16.702 3.096 14.212 1.00 0.00 C ATOM 453 O LYS A 32 16.933 2.944 13.011 1.00 0.00 O ATOM 454 CB LYS A 32 17.712 1.240 15.551 1.00 0.00 C ATOM 455 CG LYS A 32 18.402 0.455 14.449 1.00 0.00 C ATOM 456 CD LYS A 32 17.958 -0.998 14.437 1.00 0.00 C ATOM 457 CE LYS A 32 18.008 -1.585 13.035 1.00 0.00 C ATOM 458 NZ LYS A 32 18.145 -3.067 13.059 1.00 0.00 N ATOM 0 H LYS A 32 15.659 0.934 13.402 1.00 0.00 H new ATOM 0 HA LYS A 32 15.866 2.250 15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.391 2.011 15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.508 0.572 16.388 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.182 0.911 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.482 0.505 14.587 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.598 -1.581 15.099 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.943 -1.073 14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.101 -1.313 12.495 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.846 -1.152 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.175 -3.429 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.023 -3.327 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.332 -3.483 13.557 1.00 0.00 H new ATOM 472 N LEU A 33 16.698 4.286 14.802 1.00 0.00 N ATOM 473 CA LEU A 33 16.970 5.510 14.057 1.00 0.00 C ATOM 474 C LEU A 33 18.375 6.026 14.351 1.00 0.00 C ATOM 475 O LEU A 33 19.003 5.622 15.330 1.00 0.00 O ATOM 476 CB LEU A 33 15.937 6.583 14.405 1.00 0.00 C ATOM 477 CG LEU A 33 15.795 7.729 13.403 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.423 7.193 12.029 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.758 8.733 13.884 1.00 0.00 C ATOM 0 H LEU A 33 16.509 4.429 15.794 1.00 0.00 H new ATOM 0 HA LEU A 33 16.902 5.281 12.993 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.966 6.101 14.515 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.195 7.006 15.376 1.00 0.00 H new ATOM 0 HG LEU A 33 16.755 8.238 13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.326 8.023 11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.201 6.513 11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.475 6.658 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.670 9.542 13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.794 8.237 13.992 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.066 9.141 14.847 1.00 0.00 H new ATOM 491 N PHE A 34 18.862 6.922 13.499 1.00 0.00 N ATOM 492 CA PHE A 34 20.192 7.495 13.669 1.00 0.00 C ATOM 493 C PHE A 34 20.122 9.016 13.759 1.00 0.00 C ATOM 494 O PHE A 34 19.528 9.673 12.904 1.00 0.00 O ATOM 495 CB PHE A 34 21.100 7.082 12.508 1.00 0.00 C ATOM 496 CG PHE A 34 22.453 7.733 12.545 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.257 7.627 13.668 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.921 8.451 11.456 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.503 8.224 13.705 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.166 9.049 11.487 1.00 0.00 C ATOM 501 CZ PHE A 34 24.958 8.937 12.614 1.00 0.00 C ATOM 0 H PHE A 34 18.355 7.267 12.684 1.00 0.00 H new ATOM 0 HA PHE A 34 20.609 7.113 14.601 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.226 5.999 12.523 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.610 7.333 11.567 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.906 7.071 14.525 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.306 8.544 10.573 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.120 8.133 14.587 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.520 9.604 10.631 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.930 9.406 12.641 1.00 0.00 H new ATOM 511 N PHE A 35 20.733 9.570 14.801 1.00 0.00 N ATOM 512 CA PHE A 35 20.739 11.014 15.005 1.00 0.00 C ATOM 513 C PHE A 35 21.977 11.448 15.783 1.00 0.00 C ATOM 514 O PHE A 35 22.378 10.796 16.749 1.00 0.00 O ATOM 515 CB PHE A 35 19.475 11.450 15.750 1.00 0.00 C ATOM 516 CG PHE A 35 19.477 11.074 17.204 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.171 9.781 17.599 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.782 12.013 18.176 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.172 9.431 18.936 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.784 11.669 19.515 1.00 0.00 C ATOM 521 CZ PHE A 35 19.478 10.377 19.895 1.00 0.00 C ATOM 0 H PHE A 35 21.230 9.041 15.517 1.00 0.00 H new ATOM 0 HA PHE A 35 20.760 11.494 14.027 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.366 12.531 15.663 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.606 11.002 15.268 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.929 9.038 16.853 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.021 13.025 17.884 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.934 8.420 19.231 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.025 12.410 20.263 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.478 10.107 20.941 1.00 0.00 H new ATOM 531 N HIS A 36 22.580 12.553 15.356 1.00 0.00 N ATOM 532 CA HIS A 36 23.774 13.075 16.012 1.00 0.00 C ATOM 533 C HIS A 36 23.412 14.185 16.995 1.00 0.00 C ATOM 534 O HIS A 36 22.333 14.772 16.914 1.00 0.00 O ATOM 535 CB HIS A 36 24.764 13.600 14.973 1.00 0.00 C ATOM 536 CG HIS A 36 26.141 13.827 15.518 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.700 15.081 15.652 1.00 0.00 N ATOM 538 CD2 HIS A 36 27.071 12.952 15.967 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.915 14.967 16.157 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.164 13.685 16.358 1.00 0.00 N ATOM 0 H HIS A 36 22.262 13.104 14.559 1.00 0.00 H new ATOM 0 HA HIS A 36 24.240 12.260 16.567 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.821 12.891 14.147 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.385 14.536 14.563 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.972 11.877 16.010 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.590 15.783 16.370 1.00 0.00 H new ATOM 0 HE2 HIS A 36 29.028 13.302 16.741 1.00 0.00 H new ATOM 548 N VAL A 37 24.321 14.467 17.922 1.00 0.00 N ATOM 549 CA VAL A 37 24.098 15.506 18.920 1.00 0.00 C ATOM 550 C VAL A 37 23.781 16.843 18.260 1.00 0.00 C ATOM 551 O VAL A 37 23.115 17.696 18.846 1.00 0.00 O ATOM 552 CB VAL A 37 25.324 15.677 19.837 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.431 14.512 20.809 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.594 15.809 19.009 1.00 0.00 C ATOM 0 H VAL A 37 25.219 13.990 18.003 1.00 0.00 H new ATOM 0 HA VAL A 37 23.246 15.189 19.521 1.00 0.00 H new ATOM 0 HB VAL A 37 25.198 16.592 20.416 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.303 14.650 21.448 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.533 14.468 21.425 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.534 13.581 20.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.450 15.929 19.673 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.728 14.913 18.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.515 16.679 18.358 1.00 0.00 H new ATOM 564 N LYS A 38 24.263 17.020 17.034 1.00 0.00 N ATOM 565 CA LYS A 38 24.030 18.253 16.291 1.00 0.00 C ATOM 566 C LYS A 38 22.540 18.471 16.051 1.00 0.00 C ATOM 567 O LYS A 38 22.079 19.607 15.945 1.00 0.00 O ATOM 568 CB LYS A 38 24.773 18.214 14.953 1.00 0.00 C ATOM 569 CG LYS A 38 24.135 17.288 13.931 1.00 0.00 C ATOM 570 CD LYS A 38 25.152 16.795 12.915 1.00 0.00 C ATOM 571 CE LYS A 38 25.510 17.882 11.912 1.00 0.00 C ATOM 572 NZ LYS A 38 26.533 18.819 12.452 1.00 0.00 N ATOM 0 H LYS A 38 24.817 16.325 16.534 1.00 0.00 H new ATOM 0 HA LYS A 38 24.409 19.084 16.886 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.816 19.222 14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.801 17.897 15.127 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.686 16.436 14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.330 17.812 13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.053 16.464 13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.751 15.930 12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.885 17.423 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.612 18.439 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.183 19.100 11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.062 19.664 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.070 18.349 13.209 1.00 0.00 H new ATOM 586 N GLU A 39 21.792 17.375 15.968 1.00 0.00 N ATOM 587 CA GLU A 39 20.353 17.448 15.741 1.00 0.00 C ATOM 588 C GLU A 39 19.657 18.163 16.895 1.00 0.00 C ATOM 589 O GLU A 39 19.100 19.247 16.723 1.00 0.00 O ATOM 590 CB GLU A 39 19.770 16.044 15.570 1.00 0.00 C ATOM 591 CG GLU A 39 20.407 15.253 14.440 1.00 0.00 C ATOM 592 CD GLU A 39 19.464 14.228 13.840 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.328 14.103 14.343 1.00 0.00 O ATOM 594 OE2 GLU A 39 19.862 13.552 12.869 1.00 0.00 O ATOM 0 H GLU A 39 22.158 16.427 16.054 1.00 0.00 H new ATOM 0 HA GLU A 39 20.183 18.018 14.827 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.893 15.493 16.502 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.699 16.125 15.387 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.734 15.940 13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.298 14.747 14.813 1.00 0.00 H new ATOM 601 N VAL A 40 19.691 17.547 18.073 1.00 0.00 N ATOM 602 CA VAL A 40 19.064 18.123 19.256 1.00 0.00 C ATOM 603 C VAL A 40 19.535 19.555 19.485 1.00 0.00 C ATOM 604 O VAL A 40 20.705 19.873 19.278 1.00 0.00 O ATOM 605 CB VAL A 40 19.365 17.288 20.514 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.866 17.143 20.713 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.714 17.915 21.738 1.00 0.00 C ATOM 0 H VAL A 40 20.147 16.649 18.233 1.00 0.00 H new ATOM 0 HA VAL A 40 17.989 18.121 19.077 1.00 0.00 H new ATOM 0 HB VAL A 40 18.944 16.292 20.377 1.00 0.00 H new ATOM 0 HG11 VAL A 40 21.059 16.550 21.607 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.302 16.646 19.846 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.315 18.130 20.828 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.937 17.312 22.618 1.00 0.00 H new ATOM 0 HG22 VAL A 40 19.103 18.923 21.881 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.635 17.960 21.593 1.00 0.00 H new ATOM 617 N GLN A 41 18.615 20.413 19.914 1.00 0.00 N ATOM 618 CA GLN A 41 18.937 21.812 20.172 1.00 0.00 C ATOM 619 C GLN A 41 18.280 22.293 21.461 1.00 0.00 C ATOM 620 O GLN A 41 17.678 21.508 22.193 1.00 0.00 O ATOM 621 CB GLN A 41 18.487 22.685 18.999 1.00 0.00 C ATOM 622 CG GLN A 41 16.998 22.593 18.709 1.00 0.00 C ATOM 623 CD GLN A 41 16.476 23.796 17.948 1.00 0.00 C ATOM 624 OE1 GLN A 41 16.680 24.940 18.357 1.00 0.00 O ATOM 625 NE2 GLN A 41 15.799 23.545 16.834 1.00 0.00 N ATOM 0 H GLN A 41 17.642 20.164 20.090 1.00 0.00 H new ATOM 0 HA GLN A 41 20.018 21.895 20.284 1.00 0.00 H new ATOM 0 HB2 GLN A 41 18.744 23.723 19.210 1.00 0.00 H new ATOM 0 HB3 GLN A 41 19.041 22.394 18.107 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.799 21.689 18.133 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.454 22.498 19.649 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.653 22.582 16.532 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.425 24.315 16.280 1.00 0.00 H new ATOM 634 N ASP A 42 18.400 23.588 21.732 1.00 0.00 N ATOM 635 CA ASP A 42 17.817 24.175 22.933 1.00 0.00 C ATOM 636 C ASP A 42 18.455 23.588 24.189 1.00 0.00 C ATOM 637 O ASP A 42 17.857 23.599 25.264 1.00 0.00 O ATOM 638 CB ASP A 42 16.306 23.943 22.958 1.00 0.00 C ATOM 639 CG ASP A 42 15.548 25.128 23.524 1.00 0.00 C ATOM 640 OD1 ASP A 42 16.112 25.839 24.382 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.390 25.345 23.108 1.00 0.00 O ATOM 0 H ASP A 42 18.896 24.251 21.136 1.00 0.00 H new ATOM 0 HA ASP A 42 18.012 25.247 22.915 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.956 23.741 21.946 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.087 23.057 23.554 1.00 0.00 H new ATOM 646 N GLY A 43 19.673 23.075 24.044 1.00 0.00 N ATOM 647 CA GLY A 43 20.370 22.490 25.174 1.00 0.00 C ATOM 648 C GLY A 43 19.534 21.453 25.898 1.00 0.00 C ATOM 649 O GLY A 43 19.000 21.720 26.975 1.00 0.00 O ATOM 0 H GLY A 43 20.189 23.054 23.164 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.295 22.029 24.827 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.649 23.279 25.872 1.00 0.00 H new ATOM 653 N ILE A 44 19.420 20.270 25.306 1.00 0.00 N ATOM 654 CA ILE A 44 18.642 19.190 25.902 1.00 0.00 C ATOM 655 C ILE A 44 19.457 17.904 25.981 1.00 0.00 C ATOM 656 O ILE A 44 20.288 17.630 25.115 1.00 0.00 O ATOM 657 CB ILE A 44 17.353 18.919 25.104 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.589 20.224 24.868 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.478 17.913 25.838 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.087 20.869 26.140 1.00 0.00 C ATOM 0 H ILE A 44 19.856 20.034 24.415 1.00 0.00 H new ATOM 0 HA ILE A 44 18.376 19.511 26.909 1.00 0.00 H new ATOM 0 HB ILE A 44 17.624 18.498 24.136 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.239 20.927 24.346 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.741 20.026 24.212 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.571 17.731 25.262 1.00 0.00 H new ATOM 0 HG22 ILE A 44 17.024 16.977 25.960 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.212 18.309 26.818 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.555 21.789 25.896 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.411 20.184 26.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.932 21.099 26.789 1.00 0.00 H new ATOM 672 N GLU A 45 19.213 17.118 27.025 1.00 0.00 N ATOM 673 CA GLU A 45 19.924 15.860 27.216 1.00 0.00 C ATOM 674 C GLU A 45 18.976 14.672 27.080 1.00 0.00 C ATOM 675 O GLU A 45 18.248 14.334 28.015 1.00 0.00 O ATOM 676 CB GLU A 45 20.599 15.833 28.589 1.00 0.00 C ATOM 677 CG GLU A 45 21.986 16.453 28.597 1.00 0.00 C ATOM 678 CD GLU A 45 22.515 16.680 30.000 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.025 17.610 30.675 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.419 15.929 30.423 1.00 0.00 O ATOM 0 H GLU A 45 18.529 17.330 27.751 1.00 0.00 H new ATOM 0 HA GLU A 45 20.688 15.784 26.442 1.00 0.00 H new ATOM 0 HB2 GLU A 45 19.970 16.362 29.305 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.670 14.800 28.930 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.673 15.804 28.054 1.00 0.00 H new ATOM 0 HG3 GLU A 45 21.958 17.404 28.065 1.00 0.00 H new ATOM 687 N LEU A 46 18.988 14.043 25.910 1.00 0.00 N ATOM 688 CA LEU A 46 18.129 12.893 25.650 1.00 0.00 C ATOM 689 C LEU A 46 18.600 11.673 26.435 1.00 0.00 C ATOM 690 O LEU A 46 19.788 11.354 26.449 1.00 0.00 O ATOM 691 CB LEU A 46 18.109 12.574 24.154 1.00 0.00 C ATOM 692 CG LEU A 46 17.863 13.759 23.219 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.775 13.289 21.775 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.595 14.499 23.619 1.00 0.00 C ATOM 0 H LEU A 46 19.583 14.310 25.126 1.00 0.00 H new ATOM 0 HA LEU A 46 17.119 13.144 25.975 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.062 12.118 23.887 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.336 11.827 23.972 1.00 0.00 H new ATOM 0 HG LEU A 46 18.704 14.447 23.305 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.600 14.145 21.124 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.709 12.804 21.493 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.953 12.581 21.672 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.435 15.339 22.943 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.744 13.820 23.561 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.696 14.869 24.639 1.00 0.00 H new ATOM 706 N GLN A 47 17.659 10.996 27.086 1.00 0.00 N ATOM 707 CA GLN A 47 17.979 9.810 27.872 1.00 0.00 C ATOM 708 C GLN A 47 17.127 8.622 27.435 1.00 0.00 C ATOM 709 O GLN A 47 16.297 8.739 26.535 1.00 0.00 O ATOM 710 CB GLN A 47 17.764 10.086 29.361 1.00 0.00 C ATOM 711 CG GLN A 47 18.443 11.356 29.848 1.00 0.00 C ATOM 712 CD GLN A 47 18.464 11.464 31.360 1.00 0.00 C ATOM 713 OE1 GLN A 47 17.474 11.168 32.029 1.00 0.00 O ATOM 714 NE2 GLN A 47 19.597 11.889 31.908 1.00 0.00 N ATOM 0 H GLN A 47 16.671 11.248 27.085 1.00 0.00 H new ATOM 0 HA GLN A 47 19.027 9.564 27.703 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.694 10.157 29.558 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.139 9.240 29.937 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.465 11.384 29.471 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.927 12.222 29.433 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.393 12.124 31.316 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.670 11.981 32.921 1.00 0.00 H new ATOM 723 N ALA A 48 17.340 7.479 28.080 1.00 0.00 N ATOM 724 CA ALA A 48 16.591 6.271 27.759 1.00 0.00 C ATOM 725 C ALA A 48 15.146 6.378 28.233 1.00 0.00 C ATOM 726 O ALA A 48 14.883 6.539 29.424 1.00 0.00 O ATOM 727 CB ALA A 48 17.263 5.054 28.379 1.00 0.00 C ATOM 0 H ALA A 48 18.025 7.365 28.827 1.00 0.00 H new ATOM 0 HA ALA A 48 16.582 6.156 26.675 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.693 4.158 28.132 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.276 4.959 27.988 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.301 5.172 29.462 1.00 0.00 H new ATOM 733 N GLY A 49 14.211 6.290 27.291 1.00 0.00 N ATOM 734 CA GLY A 49 12.804 6.381 27.632 1.00 0.00 C ATOM 735 C GLY A 49 12.265 7.791 27.499 1.00 0.00 C ATOM 736 O GLY A 49 11.191 8.104 28.014 1.00 0.00 O ATOM 0 H GLY A 49 14.404 6.157 26.298 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.233 5.715 26.986 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.658 6.035 28.655 1.00 0.00 H new ATOM 740 N ASP A 50 13.012 8.646 26.808 1.00 0.00 N ATOM 741 CA ASP A 50 12.603 10.031 26.609 1.00 0.00 C ATOM 742 C ASP A 50 11.905 10.204 25.264 1.00 0.00 C ATOM 743 O ASP A 50 12.506 9.993 24.211 1.00 0.00 O ATOM 744 CB ASP A 50 13.815 10.960 26.692 1.00 0.00 C ATOM 745 CG ASP A 50 14.122 11.387 28.114 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.513 10.823 29.047 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.972 12.284 28.294 1.00 0.00 O ATOM 0 H ASP A 50 13.904 8.404 26.377 1.00 0.00 H new ATOM 0 HA ASP A 50 11.899 10.293 27.399 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.685 10.456 26.272 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.633 11.845 26.081 1.00 0.00 H new ATOM 752 N GLU A 51 10.633 10.589 25.308 1.00 0.00 N ATOM 753 CA GLU A 51 9.854 10.788 24.092 1.00 0.00 C ATOM 754 C GLU A 51 10.172 12.139 23.457 1.00 0.00 C ATOM 755 O GLU A 51 10.034 13.184 24.092 1.00 0.00 O ATOM 756 CB GLU A 51 8.357 10.696 24.398 1.00 0.00 C ATOM 757 CG GLU A 51 7.514 10.301 23.197 1.00 0.00 C ATOM 758 CD GLU A 51 6.026 10.384 23.477 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.651 10.904 24.549 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.236 9.927 22.624 1.00 0.00 O ATOM 0 H GLU A 51 10.121 10.769 26.172 1.00 0.00 H new ATOM 0 HA GLU A 51 10.123 10.002 23.386 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.202 9.969 25.195 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.011 11.659 24.773 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.759 10.950 22.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.768 9.284 22.898 1.00 0.00 H new ATOM 767 N VAL A 52 10.599 12.109 22.198 1.00 0.00 N ATOM 768 CA VAL A 52 10.936 13.329 21.476 1.00 0.00 C ATOM 769 C VAL A 52 10.238 13.377 20.122 1.00 0.00 C ATOM 770 O VAL A 52 9.870 12.343 19.565 1.00 0.00 O ATOM 771 CB VAL A 52 12.457 13.452 21.262 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.160 13.743 22.579 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.008 12.188 20.621 1.00 0.00 C ATOM 0 H VAL A 52 10.719 11.252 21.658 1.00 0.00 H new ATOM 0 HA VAL A 52 10.594 14.164 22.088 1.00 0.00 H new ATOM 0 HB VAL A 52 12.645 14.286 20.586 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.233 13.826 22.408 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.785 14.679 22.993 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.967 12.932 23.282 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.083 12.292 20.477 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.810 11.335 21.270 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.526 12.030 19.656 1.00 0.00 H new ATOM 783 N GLU A 53 10.058 14.586 19.597 1.00 0.00 N ATOM 784 CA GLU A 53 9.403 14.768 18.307 1.00 0.00 C ATOM 785 C GLU A 53 10.413 15.167 17.235 1.00 0.00 C ATOM 786 O GLU A 53 11.106 16.176 17.365 1.00 0.00 O ATOM 787 CB GLU A 53 8.308 15.831 18.412 1.00 0.00 C ATOM 788 CG GLU A 53 7.542 16.046 17.118 1.00 0.00 C ATOM 789 CD GLU A 53 6.703 17.309 17.139 1.00 0.00 C ATOM 790 OE1 GLU A 53 7.223 18.373 16.740 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.528 17.235 17.554 1.00 0.00 O ATOM 0 H GLU A 53 10.356 15.452 20.045 1.00 0.00 H new ATOM 0 HA GLU A 53 8.952 13.818 18.021 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.607 15.542 19.195 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.758 16.775 18.719 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.246 16.096 16.287 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.895 15.188 16.936 1.00 0.00 H new ATOM 798 N PHE A 54 10.491 14.367 16.177 1.00 0.00 N ATOM 799 CA PHE A 54 11.417 14.635 15.083 1.00 0.00 C ATOM 800 C PHE A 54 10.727 14.464 13.732 1.00 0.00 C ATOM 801 O PHE A 54 9.664 13.850 13.639 1.00 0.00 O ATOM 802 CB PHE A 54 12.628 13.703 15.171 1.00 0.00 C ATOM 803 CG PHE A 54 12.260 12.257 15.344 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.852 11.498 14.260 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.322 11.657 16.592 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.512 10.167 14.416 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.984 10.327 16.755 1.00 0.00 C ATOM 808 CZ PHE A 54 11.579 9.581 15.665 1.00 0.00 C ATOM 0 H PHE A 54 9.924 13.528 16.054 1.00 0.00 H new ATOM 0 HA PHE A 54 11.755 15.668 15.171 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.227 13.812 14.267 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.255 14.013 16.007 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.799 11.951 13.281 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.638 12.236 17.447 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.194 9.586 13.563 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.036 9.872 17.733 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.315 8.541 15.789 1.00 0.00 H new ATOM 818 N SER A 55 11.340 15.012 12.688 1.00 0.00 N ATOM 819 CA SER A 55 10.784 14.925 11.343 1.00 0.00 C ATOM 820 C SER A 55 11.595 13.962 10.481 1.00 0.00 C ATOM 821 O SER A 55 12.823 14.038 10.431 1.00 0.00 O ATOM 822 CB SER A 55 10.753 16.308 10.690 1.00 0.00 C ATOM 823 OG SER A 55 9.765 16.372 9.676 1.00 0.00 O ATOM 0 H SER A 55 12.222 15.521 12.748 1.00 0.00 H new ATOM 0 HA SER A 55 9.765 14.545 11.422 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.551 17.066 11.447 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.731 16.534 10.264 1.00 0.00 H new ATOM 0 HG SER A 55 9.765 17.267 9.276 1.00 0.00 H new ATOM 829 N VAL A 56 10.899 13.055 9.803 1.00 0.00 N ATOM 830 CA VAL A 56 11.552 12.077 8.942 1.00 0.00 C ATOM 831 C VAL A 56 12.031 12.719 7.645 1.00 0.00 C ATOM 832 O VAL A 56 11.242 13.305 6.903 1.00 0.00 O ATOM 833 CB VAL A 56 10.609 10.906 8.605 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.312 9.893 7.714 1.00 0.00 C ATOM 835 CG2 VAL A 56 10.102 10.248 9.879 1.00 0.00 C ATOM 0 H VAL A 56 9.882 12.977 9.834 1.00 0.00 H new ATOM 0 HA VAL A 56 12.411 11.694 9.493 1.00 0.00 H new ATOM 0 HB VAL A 56 9.751 11.298 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.630 9.073 7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.620 10.376 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.190 9.503 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.437 9.423 9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.947 9.868 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.558 10.981 10.475 1.00 0.00 H new ATOM 845 N ILE A 57 13.327 12.605 7.378 1.00 0.00 N ATOM 846 CA ILE A 57 13.911 13.173 6.169 1.00 0.00 C ATOM 847 C ILE A 57 14.558 12.092 5.310 1.00 0.00 C ATOM 848 O ILE A 57 15.343 11.281 5.802 1.00 0.00 O ATOM 849 CB ILE A 57 14.963 14.247 6.503 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.404 15.240 7.524 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.402 14.970 5.238 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.190 15.995 7.031 1.00 0.00 C ATOM 0 H ILE A 57 13.993 12.124 7.983 1.00 0.00 H new ATOM 0 HA ILE A 57 13.096 13.636 5.612 1.00 0.00 H new ATOM 0 HB ILE A 57 15.834 13.758 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.142 14.703 8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.184 15.955 7.788 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.146 15.726 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.836 14.253 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.540 15.450 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.848 16.680 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.452 16.560 6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.394 15.289 6.794 1.00 0.00 H new ATOM 864 N LEU A 58 14.226 12.088 4.024 1.00 0.00 N ATOM 865 CA LEU A 58 14.777 11.108 3.095 1.00 0.00 C ATOM 866 C LEU A 58 15.765 11.763 2.135 1.00 0.00 C ATOM 867 O LEU A 58 15.515 12.850 1.617 1.00 0.00 O ATOM 868 CB LEU A 58 13.652 10.436 2.306 1.00 0.00 C ATOM 869 CG LEU A 58 14.085 9.589 1.109 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.843 8.356 1.574 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.877 9.191 0.272 1.00 0.00 C ATOM 0 H LEU A 58 13.578 12.752 3.601 1.00 0.00 H new ATOM 0 HA LEU A 58 15.308 10.353 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.085 9.802 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.972 11.210 1.951 1.00 0.00 H new ATOM 0 HG LEU A 58 14.752 10.187 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.143 7.765 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.729 8.662 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.201 7.755 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.204 8.589 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.186 8.611 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.375 10.088 -0.092 1.00 0.00 H new ATOM 883 N ASN A 59 16.889 11.092 1.902 1.00 0.00 N ATOM 884 CA ASN A 59 17.915 11.608 1.003 1.00 0.00 C ATOM 885 C ASN A 59 17.924 10.835 -0.312 1.00 0.00 C ATOM 886 O ASN A 59 17.881 9.605 -0.321 1.00 0.00 O ATOM 887 CB ASN A 59 19.291 11.525 1.666 1.00 0.00 C ATOM 888 CG ASN A 59 19.616 12.761 2.482 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.723 13.520 2.861 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.898 12.970 2.755 1.00 0.00 N ATOM 0 H ASN A 59 17.112 10.190 2.323 1.00 0.00 H new ATOM 0 HA ASN A 59 17.685 12.652 0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.328 10.647 2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.053 11.389 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.177 13.786 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.604 12.314 2.420 1.00 0.00 H new ATOM 897 N GLN A 60 17.981 11.566 -1.421 1.00 0.00 N ATOM 898 CA GLN A 60 17.996 10.948 -2.742 1.00 0.00 C ATOM 899 C GLN A 60 19.391 10.439 -3.089 1.00 0.00 C ATOM 900 O GLN A 60 19.542 9.473 -3.837 1.00 0.00 O ATOM 901 CB GLN A 60 17.527 11.948 -3.800 1.00 0.00 C ATOM 902 CG GLN A 60 16.025 12.180 -3.795 1.00 0.00 C ATOM 903 CD GLN A 60 15.606 13.277 -2.836 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.739 13.076 -1.985 1.00 0.00 O ATOM 905 NE2 GLN A 60 16.222 14.446 -2.969 1.00 0.00 N ATOM 0 H GLN A 60 18.017 12.585 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 60 17.313 10.099 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.034 12.899 -3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.828 11.590 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.698 12.439 -4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.519 11.253 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.935 14.568 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.982 15.222 -2.352 1.00 0.00 H new ATOM 914 N ARG A 61 20.409 11.096 -2.542 1.00 0.00 N ATOM 915 CA ARG A 61 21.792 10.711 -2.795 1.00 0.00 C ATOM 916 C ARG A 61 22.155 9.447 -2.021 1.00 0.00 C ATOM 917 O ARG A 61 22.649 8.475 -2.593 1.00 0.00 O ATOM 918 CB ARG A 61 22.739 11.848 -2.410 1.00 0.00 C ATOM 919 CG ARG A 61 24.082 11.790 -3.120 1.00 0.00 C ATOM 920 CD ARG A 61 23.987 12.336 -4.536 1.00 0.00 C ATOM 921 NE ARG A 61 25.300 12.652 -5.090 1.00 0.00 N ATOM 922 CZ ARG A 61 26.006 13.723 -4.743 1.00 0.00 C ATOM 923 NH1 ARG A 61 25.526 14.575 -3.848 1.00 0.00 N ATOM 924 NH2 ARG A 61 27.194 13.943 -5.291 1.00 0.00 N ATOM 0 H ARG A 61 20.302 11.898 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 61 21.897 10.506 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.260 12.801 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.906 11.822 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.818 12.363 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.435 10.759 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.491 11.605 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.367 13.233 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 61 25.697 12.016 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 61 24.613 14.409 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 61 26.070 15.396 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 61 27.567 13.290 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 61 27.735 14.766 -5.024 1.00 0.00 H new ATOM 938 N THR A 62 21.907 9.468 -0.715 1.00 0.00 N ATOM 939 CA THR A 62 22.209 8.326 0.138 1.00 0.00 C ATOM 940 C THR A 62 21.098 7.284 0.076 1.00 0.00 C ATOM 941 O THR A 62 21.350 6.108 -0.180 1.00 0.00 O ATOM 942 CB THR A 62 22.411 8.757 1.603 1.00 0.00 C ATOM 943 OG1 THR A 62 21.208 9.345 2.111 1.00 0.00 O ATOM 944 CG2 THR A 62 23.557 9.751 1.722 1.00 0.00 C ATOM 0 H THR A 62 21.498 10.264 -0.225 1.00 0.00 H new ATOM 0 HA THR A 62 23.135 7.889 -0.236 1.00 0.00 H new ATOM 0 HB THR A 62 22.657 7.871 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.388 9.757 2.982 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.680 10.041 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.477 9.290 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.336 10.635 1.124 1.00 0.00 H new ATOM 952 N GLY A 63 19.865 7.725 0.311 1.00 0.00 N ATOM 953 CA GLY A 63 18.734 6.817 0.276 1.00 0.00 C ATOM 954 C GLY A 63 18.222 6.475 1.661 1.00 0.00 C ATOM 955 O GLY A 63 17.081 6.039 1.820 1.00 0.00 O ATOM 0 H GLY A 63 19.630 8.694 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.929 7.267 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.024 5.900 -0.238 1.00 0.00 H new ATOM 959 N LYS A 64 19.067 6.671 2.668 1.00 0.00 N ATOM 960 CA LYS A 64 18.695 6.381 4.047 1.00 0.00 C ATOM 961 C LYS A 64 17.892 7.530 4.648 1.00 0.00 C ATOM 962 O LYS A 64 17.720 8.575 4.019 1.00 0.00 O ATOM 963 CB LYS A 64 19.945 6.123 4.891 1.00 0.00 C ATOM 964 CG LYS A 64 20.838 7.342 5.043 1.00 0.00 C ATOM 965 CD LYS A 64 22.295 6.947 5.222 1.00 0.00 C ATOM 966 CE LYS A 64 23.087 8.042 5.921 1.00 0.00 C ATOM 967 NZ LYS A 64 22.805 8.084 7.382 1.00 0.00 N ATOM 0 H LYS A 64 20.015 7.030 2.554 1.00 0.00 H new ATOM 0 HA LYS A 64 18.072 5.486 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.641 5.780 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.520 5.316 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.738 7.979 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.511 7.929 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.355 6.026 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.739 6.740 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.153 7.878 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.843 9.007 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.471 8.735 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.832 8.415 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.916 7.131 7.784 1.00 0.00 H new ATOM 981 N CYS A 65 17.403 7.331 5.867 1.00 0.00 N ATOM 982 CA CYS A 65 16.619 8.352 6.553 1.00 0.00 C ATOM 983 C CYS A 65 17.302 8.785 7.846 1.00 0.00 C ATOM 984 O CYS A 65 18.245 8.141 8.307 1.00 0.00 O ATOM 985 CB CYS A 65 15.214 7.828 6.854 1.00 0.00 C ATOM 986 SG CYS A 65 14.354 7.150 5.415 1.00 0.00 S ATOM 0 H CYS A 65 17.536 6.472 6.401 1.00 0.00 H new ATOM 0 HA CYS A 65 16.543 9.219 5.897 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.282 7.056 7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.617 8.639 7.272 1.00 0.00 H new ATOM 0 HG CYS A 65 13.176 6.731 5.771 1.00 0.00 H new ATOM 992 N SER A 66 16.820 9.880 8.425 1.00 0.00 N ATOM 993 CA SER A 66 17.388 10.402 9.663 1.00 0.00 C ATOM 994 C SER A 66 16.402 11.333 10.362 1.00 0.00 C ATOM 995 O SER A 66 15.313 11.597 9.853 1.00 0.00 O ATOM 996 CB SER A 66 18.693 11.146 9.376 1.00 0.00 C ATOM 997 OG SER A 66 18.487 12.202 8.454 1.00 0.00 O ATOM 0 H SER A 66 16.038 10.423 8.057 1.00 0.00 H new ATOM 0 HA SER A 66 17.596 9.559 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.100 11.545 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.432 10.450 8.978 1.00 0.00 H new ATOM 0 HG SER A 66 19.336 12.663 8.289 1.00 0.00 H new ATOM 1003 N ALA A 67 16.793 11.828 11.532 1.00 0.00 N ATOM 1004 CA ALA A 67 15.946 12.731 12.301 1.00 0.00 C ATOM 1005 C ALA A 67 16.414 14.176 12.160 1.00 0.00 C ATOM 1006 O ALA A 67 17.502 14.439 11.646 1.00 0.00 O ATOM 1007 CB ALA A 67 15.928 12.320 13.765 1.00 0.00 C ATOM 0 H ALA A 67 17.691 11.619 11.968 1.00 0.00 H new ATOM 0 HA ALA A 67 14.933 12.665 11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.291 13.003 14.327 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.539 11.306 13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.941 12.356 14.165 1.00 0.00 H new ATOM 1013 N CYS A 68 15.587 15.108 12.620 1.00 0.00 N ATOM 1014 CA CYS A 68 15.916 16.527 12.544 1.00 0.00 C ATOM 1015 C CYS A 68 15.076 17.333 13.530 1.00 0.00 C ATOM 1016 O CYS A 68 13.921 17.003 13.791 1.00 0.00 O ATOM 1017 CB CYS A 68 15.695 17.048 11.123 1.00 0.00 C ATOM 1018 SG CYS A 68 16.762 18.437 10.672 1.00 0.00 S ATOM 0 H CYS A 68 14.684 14.907 13.049 1.00 0.00 H new ATOM 0 HA CYS A 68 16.967 16.646 12.807 1.00 0.00 H new ATOM 0 HB2 CYS A 68 15.861 16.233 10.419 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.654 17.354 11.017 1.00 0.00 H new ATOM 0 HG CYS A 68 16.503 18.805 9.453 1.00 0.00 H new ATOM 1024 N ASN A 69 15.668 18.391 14.075 1.00 0.00 N ATOM 1025 CA ASN A 69 14.975 19.244 15.035 1.00 0.00 C ATOM 1026 C ASN A 69 14.388 18.416 16.174 1.00 0.00 C ATOM 1027 O ASN A 69 13.224 18.579 16.539 1.00 0.00 O ATOM 1028 CB ASN A 69 13.864 20.033 14.338 1.00 0.00 C ATOM 1029 CG ASN A 69 14.402 21.198 13.531 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.038 22.103 14.072 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.148 21.182 12.227 1.00 0.00 N ATOM 0 H ASN A 69 16.625 18.678 13.869 1.00 0.00 H new ATOM 0 HA ASN A 69 15.700 19.942 15.453 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.306 19.366 13.681 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.163 20.405 15.085 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.484 21.940 11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.617 20.412 11.820 1.00 0.00 H new ATOM 1038 N VAL A 70 15.203 17.527 16.733 1.00 0.00 N ATOM 1039 CA VAL A 70 14.767 16.674 17.832 1.00 0.00 C ATOM 1040 C VAL A 70 14.385 17.504 19.053 1.00 0.00 C ATOM 1041 O VAL A 70 15.232 18.159 19.660 1.00 0.00 O ATOM 1042 CB VAL A 70 15.862 15.668 18.231 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.380 14.775 19.364 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.284 14.836 17.029 1.00 0.00 C ATOM 0 H VAL A 70 16.169 17.379 16.442 1.00 0.00 H new ATOM 0 HA VAL A 70 13.893 16.126 17.480 1.00 0.00 H new ATOM 0 HB VAL A 70 16.731 16.224 18.583 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.167 14.071 19.632 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.131 15.388 20.230 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.495 14.225 19.043 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.059 14.130 17.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.423 14.289 16.645 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.673 15.492 16.251 1.00 0.00 H new ATOM 1054 N TRP A 71 13.106 17.470 19.407 1.00 0.00 N ATOM 1055 CA TRP A 71 12.612 18.219 20.557 1.00 0.00 C ATOM 1056 C TRP A 71 12.070 17.278 21.627 1.00 0.00 C ATOM 1057 O TRP A 71 11.356 16.322 21.323 1.00 0.00 O ATOM 1058 CB TRP A 71 11.521 19.199 20.123 1.00 0.00 C ATOM 1059 CG TRP A 71 10.763 19.793 21.272 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.700 19.239 21.926 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.011 21.054 21.901 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.271 20.081 22.923 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.060 21.201 22.930 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.945 22.074 21.698 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.017 22.326 23.749 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.901 23.190 22.512 1.00 0.00 C ATOM 1067 CH2 TRP A 71 10.943 23.308 23.527 1.00 0.00 C ATOM 0 H TRP A 71 12.392 16.932 18.915 1.00 0.00 H new ATOM 0 HA TRP A 71 13.446 18.779 20.980 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.975 20.002 19.542 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.822 18.684 19.463 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.261 18.280 21.694 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.491 19.901 23.556 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.688 21.991 20.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.279 22.420 24.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.617 23.984 22.363 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.935 24.192 24.147 1.00 0.00 H new ATOM 1078 N ARG A 72 12.413 17.554 22.881 1.00 0.00 N ATOM 1079 CA ARG A 72 11.961 16.731 23.996 1.00 0.00 C ATOM 1080 C ARG A 72 10.680 17.295 24.604 1.00 0.00 C ATOM 1081 O ARG A 72 10.617 18.470 24.965 1.00 0.00 O ATOM 1082 CB ARG A 72 13.051 16.642 25.067 1.00 0.00 C ATOM 1083 CG ARG A 72 12.798 15.561 26.105 1.00 0.00 C ATOM 1084 CD ARG A 72 13.574 15.826 27.385 1.00 0.00 C ATOM 1085 NE ARG A 72 12.985 16.908 28.168 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.638 17.570 29.117 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.897 17.260 29.398 1.00 0.00 N ATOM 1088 NH2 ARG A 72 13.034 18.543 29.786 1.00 0.00 N ATOM 0 H ARG A 72 13.003 18.342 23.150 1.00 0.00 H new ATOM 0 HA ARG A 72 11.752 15.731 23.616 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.009 16.452 24.583 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.133 17.605 25.571 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.732 15.511 26.328 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.084 14.591 25.699 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.602 14.917 27.986 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.606 16.077 27.138 1.00 0.00 H new ATOM 0 HE ARG A 72 12.018 17.170 27.976 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.365 16.513 28.885 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.397 17.769 30.127 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.066 18.784 29.572 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.537 19.050 30.514 1.00 0.00 H new ATOM 1102 N VAL A 73 9.661 16.448 24.714 1.00 0.00 N ATOM 1103 CA VAL A 73 8.382 16.861 25.278 1.00 0.00 C ATOM 1104 C VAL A 73 8.190 16.292 26.680 1.00 0.00 C ATOM 1105 O VAL A 73 7.538 16.904 27.525 1.00 0.00 O ATOM 1106 CB VAL A 73 7.206 16.415 24.389 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.336 17.008 22.994 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.131 14.897 24.328 1.00 0.00 C ATOM 0 H VAL A 73 9.697 15.472 24.420 1.00 0.00 H new ATOM 0 HA VAL A 73 8.396 17.950 25.330 1.00 0.00 H new ATOM 0 HB VAL A 73 6.280 16.784 24.829 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.496 16.682 22.380 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.336 18.096 23.060 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.269 16.672 22.541 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.295 14.599 23.696 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.058 14.503 23.912 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.986 14.499 25.332 1.00 0.00 H new ATOM 1118 N SER A 74 8.763 15.117 26.918 1.00 0.00 N ATOM 1119 CA SER A 74 8.652 14.462 28.217 1.00 0.00 C ATOM 1120 C SER A 74 10.030 14.086 28.755 1.00 0.00 C ATOM 1121 O SER A 74 11.003 14.016 28.006 1.00 0.00 O ATOM 1122 CB SER A 74 7.776 13.212 28.109 1.00 0.00 C ATOM 1123 OG SER A 74 7.805 12.464 29.312 1.00 0.00 O ATOM 0 H SER A 74 9.309 14.599 26.229 1.00 0.00 H new ATOM 0 HA SER A 74 8.188 15.163 28.911 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.750 13.502 27.882 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.123 12.591 27.283 1.00 0.00 H new ATOM 0 HG SER A 74 7.236 11.671 29.218 1.00 0.00 H new ATOM 1129 N GLY A 75 10.103 13.846 30.061 1.00 0.00 N ATOM 1130 CA GLY A 75 11.364 13.480 30.678 1.00 0.00 C ATOM 1131 C GLY A 75 11.182 12.565 31.872 1.00 0.00 C ATOM 1132 O GLY A 75 10.078 12.106 32.166 1.00 0.00 O ATOM 0 H GLY A 75 9.311 13.899 30.702 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.996 12.987 29.940 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.886 14.383 30.993 1.00 0.00 H new ATOM 1136 N PRO A 76 12.284 12.286 32.583 1.00 0.00 N ATOM 1137 CA PRO A 76 12.267 11.416 33.763 1.00 0.00 C ATOM 1138 C PRO A 76 11.548 12.057 34.945 1.00 0.00 C ATOM 1139 O PRO A 76 11.334 13.269 34.971 1.00 0.00 O ATOM 1140 CB PRO A 76 13.751 11.221 34.082 1.00 0.00 C ATOM 1141 CG PRO A 76 14.422 12.424 33.514 1.00 0.00 C ATOM 1142 CD PRO A 76 13.633 12.799 32.290 1.00 0.00 C ATOM 0 HA PRO A 76 11.732 10.485 33.575 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.918 11.145 35.156 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.135 10.305 33.634 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.435 13.241 34.236 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.459 12.208 33.259 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.627 13.877 32.131 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.048 12.346 31.390 1.00 0.00 H new ATOM 1150 N SER A 77 11.177 11.236 35.922 1.00 0.00 N ATOM 1151 CA SER A 77 10.479 11.723 37.106 1.00 0.00 C ATOM 1152 C SER A 77 11.335 11.540 38.356 1.00 0.00 C ATOM 1153 O SER A 77 11.196 10.552 39.077 1.00 0.00 O ATOM 1154 CB SER A 77 9.146 10.991 37.276 1.00 0.00 C ATOM 1155 OG SER A 77 8.407 11.522 38.362 1.00 0.00 O ATOM 0 H SER A 77 11.348 10.230 35.917 1.00 0.00 H new ATOM 0 HA SER A 77 10.287 12.787 36.971 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.562 11.075 36.359 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.329 9.929 37.441 1.00 0.00 H new ATOM 0 HG SER A 77 7.559 11.038 38.448 1.00 0.00 H new ATOM 1161 N SER A 78 12.221 12.499 38.605 1.00 0.00 N ATOM 1162 CA SER A 78 13.103 12.443 39.764 1.00 0.00 C ATOM 1163 C SER A 78 12.870 13.639 40.683 1.00 0.00 C ATOM 1164 O SER A 78 12.651 13.480 41.883 1.00 0.00 O ATOM 1165 CB SER A 78 14.566 12.407 39.317 1.00 0.00 C ATOM 1166 OG SER A 78 15.433 12.233 40.424 1.00 0.00 O ATOM 0 H SER A 78 12.347 13.324 38.019 1.00 0.00 H new ATOM 0 HA SER A 78 12.877 11.532 40.318 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.712 11.594 38.605 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.814 13.333 38.799 1.00 0.00 H new ATOM 0 HG SER A 78 16.362 12.212 40.112 1.00 0.00 H new ATOM 1172 N GLY A 79 12.918 14.837 40.108 1.00 0.00 N ATOM 1173 CA GLY A 79 12.710 16.043 40.889 1.00 0.00 C ATOM 1174 C GLY A 79 12.116 17.170 40.067 1.00 0.00 C ATOM 1175 O GLY A 79 12.013 18.302 40.538 1.00 0.00 O ATOM 0 H GLY A 79 13.097 14.994 39.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.049 15.820 41.726 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.661 16.367 41.311 1.00 0.00 H new TER 1179 GLY A 79