USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 57 HIS : no HD1:sc= 0.283 K(o=-11,f=-23!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -11.6! C(o=-11!,f=-11!) USER MOD Set 1.3: A 85 SER OG : rot -85:sc= 0.482 USER MOD Set 2.1: A 31 THR OG1 : rot 127:sc= 0.381 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=0.38,f=0.038) USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0899 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0975 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 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 22:sc= 0.134 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -1.99 USER MOD Single : A 38 MET CE :methyl -115:sc= -3.22! (180deg=-4.7!) USER MOD Single : A 41 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -160:sc= 0.0551 USER MOD Single : A 56 CYS SG : rot -171:sc= -2.34 USER MOD Single : A 69 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 71 SER OG : rot -50:sc= 0.0454 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.115 K(o=-0.11,f=-2!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 36:sc= 0.0726 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.291 -23.310 -1.653 1.00 0.00 N ATOM 2 CA GLY A 1 -13.681 -22.971 -1.905 1.00 0.00 C ATOM 3 C GLY A 1 -14.337 -22.380 -0.656 1.00 0.00 C ATOM 4 O GLY A 1 -13.790 -22.478 0.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.676 -22.578 -2.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.128 -23.367 -0.627 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.073 -24.229 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.741 -22.255 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.225 -23.862 -2.219 1.00 0.00 H new ATOM 8 N SER A 2 -15.500 -21.781 -0.864 1.00 0.00 N ATOM 9 CA SER A 2 -16.237 -21.175 0.233 1.00 0.00 C ATOM 10 C SER A 2 -15.380 -20.103 0.908 1.00 0.00 C ATOM 11 O SER A 2 -14.613 -20.401 1.822 1.00 0.00 O ATOM 12 CB SER A 2 -16.671 -22.229 1.253 1.00 0.00 C ATOM 13 OG SER A 2 -17.937 -22.797 0.929 1.00 0.00 O ATOM 0 H SER A 2 -15.951 -21.702 -1.776 1.00 0.00 H new ATOM 0 HA SER A 2 -17.136 -20.710 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.921 -23.018 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.720 -21.776 2.243 1.00 0.00 H new ATOM 0 HG SER A 2 -18.177 -23.466 1.603 1.00 0.00 H new ATOM 19 N SER A 3 -15.540 -18.876 0.433 1.00 0.00 N ATOM 20 CA SER A 3 -14.791 -17.758 0.979 1.00 0.00 C ATOM 21 C SER A 3 -15.573 -16.458 0.782 1.00 0.00 C ATOM 22 O SER A 3 -16.259 -16.289 -0.225 1.00 0.00 O ATOM 23 CB SER A 3 -13.410 -17.650 0.331 1.00 0.00 C ATOM 24 OG SER A 3 -12.687 -18.876 0.408 1.00 0.00 O ATOM 0 H SER A 3 -16.178 -18.632 -0.325 1.00 0.00 H new ATOM 0 HA SER A 3 -14.649 -17.931 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.521 -17.360 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.840 -16.861 0.822 1.00 0.00 H new ATOM 0 HG SER A 3 -11.811 -18.767 -0.018 1.00 0.00 H new ATOM 30 N GLY A 4 -15.444 -15.572 1.759 1.00 0.00 N ATOM 31 CA GLY A 4 -16.130 -14.292 1.704 1.00 0.00 C ATOM 32 C GLY A 4 -15.498 -13.290 2.672 1.00 0.00 C ATOM 33 O GLY A 4 -14.447 -12.720 2.383 1.00 0.00 O ATOM 0 H GLY A 4 -14.875 -15.715 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.090 -13.897 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.183 -14.428 1.952 1.00 0.00 H new ATOM 37 N SER A 5 -16.165 -13.106 3.802 1.00 0.00 N ATOM 38 CA SER A 5 -15.682 -12.182 4.815 1.00 0.00 C ATOM 39 C SER A 5 -14.291 -12.608 5.290 1.00 0.00 C ATOM 40 O SER A 5 -13.348 -11.819 5.245 1.00 0.00 O ATOM 41 CB SER A 5 -16.648 -12.109 5.999 1.00 0.00 C ATOM 42 OG SER A 5 -16.928 -10.764 6.377 1.00 0.00 O ATOM 0 H SER A 5 -17.036 -13.581 4.039 1.00 0.00 H new ATOM 0 HA SER A 5 -15.619 -11.189 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.578 -12.614 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.222 -12.643 6.848 1.00 0.00 H new ATOM 0 HG SER A 5 -17.549 -10.760 7.135 1.00 0.00 H new ATOM 48 N SER A 6 -14.207 -13.853 5.734 1.00 0.00 N ATOM 49 CA SER A 6 -12.948 -14.392 6.217 1.00 0.00 C ATOM 50 C SER A 6 -12.516 -15.574 5.346 1.00 0.00 C ATOM 51 O SER A 6 -12.910 -16.712 5.598 1.00 0.00 O ATOM 52 CB SER A 6 -13.058 -14.824 7.680 1.00 0.00 C ATOM 53 OG SER A 6 -12.117 -14.148 8.509 1.00 0.00 O ATOM 0 H SER A 6 -14.991 -14.504 5.769 1.00 0.00 H new ATOM 0 HA SER A 6 -12.194 -13.607 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.067 -14.626 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.898 -15.900 7.753 1.00 0.00 H new ATOM 0 HG SER A 6 -12.221 -14.450 9.435 1.00 0.00 H new ATOM 59 N GLY A 7 -11.713 -15.263 4.339 1.00 0.00 N ATOM 60 CA GLY A 7 -11.223 -16.285 3.430 1.00 0.00 C ATOM 61 C GLY A 7 -9.974 -15.807 2.688 1.00 0.00 C ATOM 62 O GLY A 7 -8.878 -15.805 3.247 1.00 0.00 O ATOM 0 H GLY A 7 -11.390 -14.318 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.994 -17.193 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.002 -16.541 2.711 1.00 0.00 H new ATOM 66 N ARG A 8 -10.180 -15.412 1.440 1.00 0.00 N ATOM 67 CA ARG A 8 -9.084 -14.932 0.616 1.00 0.00 C ATOM 68 C ARG A 8 -8.406 -13.732 1.280 1.00 0.00 C ATOM 69 O ARG A 8 -9.047 -12.979 2.011 1.00 0.00 O ATOM 70 CB ARG A 8 -9.578 -14.525 -0.774 1.00 0.00 C ATOM 71 CG ARG A 8 -8.676 -15.103 -1.867 1.00 0.00 C ATOM 72 CD ARG A 8 -9.504 -15.807 -2.945 1.00 0.00 C ATOM 73 NE ARG A 8 -9.178 -15.250 -4.277 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.656 -14.088 -4.742 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.483 -13.353 -3.987 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.307 -13.661 -5.964 1.00 0.00 N ATOM 0 H ARG A 8 -11.090 -15.415 0.980 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.367 -15.746 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.600 -14.875 -0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.600 -13.438 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.088 -14.304 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.971 -15.808 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.301 -16.878 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.567 -15.681 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.550 -15.784 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.749 -13.678 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.847 -12.468 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.678 -14.221 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.671 -12.776 -6.318 1.00 0.00 H new ATOM 90 N PRO A 9 -7.084 -13.589 0.995 1.00 0.00 N ATOM 91 CA PRO A 9 -6.312 -12.493 1.557 1.00 0.00 C ATOM 92 C PRO A 9 -6.643 -11.174 0.856 1.00 0.00 C ATOM 93 O PRO A 9 -7.346 -11.162 -0.153 1.00 0.00 O ATOM 94 CB PRO A 9 -4.860 -12.908 1.388 1.00 0.00 C ATOM 95 CG PRO A 9 -4.858 -13.997 0.326 1.00 0.00 C ATOM 96 CD PRO A 9 -6.292 -14.461 0.133 1.00 0.00 C ATOM 0 HA PRO A 9 -6.541 -12.312 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.245 -12.062 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.448 -13.277 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.450 -13.616 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.225 -14.830 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.600 -14.373 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.410 -15.508 0.413 1.00 0.00 H new ATOM 104 N HIS A 10 -6.119 -10.095 1.419 1.00 0.00 N ATOM 105 CA HIS A 10 -6.349 -8.773 0.861 1.00 0.00 C ATOM 106 C HIS A 10 -5.081 -8.285 0.158 1.00 0.00 C ATOM 107 O HIS A 10 -4.096 -7.945 0.812 1.00 0.00 O ATOM 108 CB HIS A 10 -6.839 -7.805 1.940 1.00 0.00 C ATOM 109 CG HIS A 10 -8.146 -8.208 2.579 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.372 -8.010 1.967 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.407 -8.800 3.780 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.320 -8.466 2.773 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.720 -8.954 3.896 1.00 0.00 N ATOM 0 H HIS A 10 -5.536 -10.109 2.256 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.141 -8.823 0.114 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.077 -7.725 2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.952 -6.814 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.670 -9.094 4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.382 -8.453 2.575 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.201 -9.369 4.694 1.00 0.00 H new ATOM 121 N VAL A 11 -5.147 -8.265 -1.165 1.00 0.00 N ATOM 122 CA VAL A 11 -4.016 -7.824 -1.964 1.00 0.00 C ATOM 123 C VAL A 11 -4.099 -6.309 -2.165 1.00 0.00 C ATOM 124 O VAL A 11 -4.756 -5.837 -3.092 1.00 0.00 O ATOM 125 CB VAL A 11 -3.972 -8.600 -3.282 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.960 -7.982 -4.249 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.664 -10.079 -3.037 1.00 0.00 C ATOM 0 H VAL A 11 -5.966 -8.547 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.079 -8.033 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.958 -8.535 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.949 -8.553 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.242 -6.950 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.968 -8.002 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.638 -10.608 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.696 -10.172 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.438 -10.512 -2.403 1.00 0.00 H new ATOM 137 N VAL A 12 -3.424 -5.590 -1.281 1.00 0.00 N ATOM 138 CA VAL A 12 -3.413 -4.138 -1.349 1.00 0.00 C ATOM 139 C VAL A 12 -2.352 -3.688 -2.355 1.00 0.00 C ATOM 140 O VAL A 12 -1.192 -4.086 -2.259 1.00 0.00 O ATOM 141 CB VAL A 12 -3.201 -3.550 0.047 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.306 -2.024 0.021 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.188 -4.151 1.051 1.00 0.00 C ATOM 0 H VAL A 12 -2.881 -5.985 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.375 -3.764 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.193 -3.811 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.151 -1.631 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.547 -1.618 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.295 -1.733 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.016 -3.716 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.208 -3.935 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.044 -5.230 1.101 1.00 0.00 H new ATOM 153 N LYS A 13 -2.787 -2.863 -3.296 1.00 0.00 N ATOM 154 CA LYS A 13 -1.888 -2.354 -4.318 1.00 0.00 C ATOM 155 C LYS A 13 -1.499 -0.914 -3.978 1.00 0.00 C ATOM 156 O LYS A 13 -2.252 0.019 -4.253 1.00 0.00 O ATOM 157 CB LYS A 13 -2.513 -2.509 -5.706 1.00 0.00 C ATOM 158 CG LYS A 13 -2.478 -3.969 -6.163 1.00 0.00 C ATOM 159 CD LYS A 13 -3.485 -4.216 -7.288 1.00 0.00 C ATOM 160 CE LYS A 13 -4.919 -4.180 -6.757 1.00 0.00 C ATOM 161 NZ LYS A 13 -5.778 -5.113 -7.521 1.00 0.00 N ATOM 0 H LYS A 13 -3.750 -2.534 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.967 -2.937 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.544 -2.155 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.976 -1.887 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.475 -4.222 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.701 -4.623 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.362 -3.460 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.289 -5.183 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.929 -4.449 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.315 -3.167 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.748 -5.076 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.782 -4.839 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.408 -6.080 -7.428 1.00 0.00 H new ATOM 175 N VAL A 14 -0.322 -0.778 -3.384 1.00 0.00 N ATOM 176 CA VAL A 14 0.177 0.532 -3.002 1.00 0.00 C ATOM 177 C VAL A 14 0.945 1.142 -4.176 1.00 0.00 C ATOM 178 O VAL A 14 2.021 0.664 -4.535 1.00 0.00 O ATOM 179 CB VAL A 14 1.019 0.422 -1.730 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.896 1.661 -1.543 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.133 0.188 -0.505 1.00 0.00 C ATOM 0 H VAL A 14 0.300 -1.554 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.650 1.203 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 14 1.677 -0.440 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.484 1.556 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.566 1.765 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.264 2.546 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.756 0.113 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.561 1.021 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.428 -0.737 -0.633 1.00 0.00 H new ATOM 191 N TYR A 15 0.364 2.189 -4.743 1.00 0.00 N ATOM 192 CA TYR A 15 0.981 2.869 -5.870 1.00 0.00 C ATOM 193 C TYR A 15 2.025 3.881 -5.394 1.00 0.00 C ATOM 194 O TYR A 15 1.803 4.595 -4.417 1.00 0.00 O ATOM 195 CB TYR A 15 -0.149 3.616 -6.581 1.00 0.00 C ATOM 196 CG TYR A 15 -1.243 2.704 -7.140 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.124 2.183 -8.412 1.00 0.00 C ATOM 198 CD2 TYR A 15 -2.349 2.403 -6.372 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.153 1.325 -8.938 1.00 0.00 C ATOM 200 CE2 TYR A 15 -3.379 1.545 -6.898 1.00 0.00 C ATOM 201 CZ TYR A 15 -3.230 1.048 -8.155 1.00 0.00 C ATOM 202 OH TYR A 15 -4.203 0.238 -8.652 1.00 0.00 O ATOM 0 H TYR A 15 -0.528 2.583 -4.443 1.00 0.00 H new ATOM 0 HA TYR A 15 1.485 2.155 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.600 4.321 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.274 4.202 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.258 2.419 -9.013 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.442 2.811 -5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.072 0.911 -9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.250 1.302 -6.308 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.910 0.127 -7.982 1.00 0.00 H new ATOM 212 N SER A 16 3.142 3.909 -6.106 1.00 0.00 N ATOM 213 CA SER A 16 4.221 4.822 -5.769 1.00 0.00 C ATOM 214 C SER A 16 4.197 6.031 -6.707 1.00 0.00 C ATOM 215 O SER A 16 3.637 5.961 -7.800 1.00 0.00 O ATOM 216 CB SER A 16 5.579 4.120 -5.843 1.00 0.00 C ATOM 217 OG SER A 16 6.299 4.219 -4.618 1.00 0.00 O ATOM 0 H SER A 16 3.323 3.314 -6.915 1.00 0.00 H new ATOM 0 HA SER A 16 4.073 5.163 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.431 3.069 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.170 4.558 -6.647 1.00 0.00 H new ATOM 0 HG SER A 16 7.159 3.757 -4.706 1.00 0.00 H new ATOM 223 N GLU A 17 4.810 7.110 -6.245 1.00 0.00 N ATOM 224 CA GLU A 17 4.866 8.333 -7.028 1.00 0.00 C ATOM 225 C GLU A 17 5.605 8.086 -8.345 1.00 0.00 C ATOM 226 O GLU A 17 5.235 8.635 -9.381 1.00 0.00 O ATOM 227 CB GLU A 17 5.522 9.464 -6.234 1.00 0.00 C ATOM 228 CG GLU A 17 4.479 10.251 -5.437 1.00 0.00 C ATOM 229 CD GLU A 17 4.746 11.755 -5.521 1.00 0.00 C ATOM 230 OE1 GLU A 17 4.797 12.259 -6.664 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.892 12.366 -4.441 1.00 0.00 O ATOM 0 H GLU A 17 5.273 7.163 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 17 3.846 8.641 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.268 9.051 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.047 10.134 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.482 10.033 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.496 9.933 -4.395 1.00 0.00 H new ATOM 238 N ASP A 18 6.637 7.259 -8.261 1.00 0.00 N ATOM 239 CA ASP A 18 7.432 6.933 -9.432 1.00 0.00 C ATOM 240 C ASP A 18 6.897 5.647 -10.065 1.00 0.00 C ATOM 241 O ASP A 18 7.670 4.764 -10.433 1.00 0.00 O ATOM 242 CB ASP A 18 8.897 6.701 -9.057 1.00 0.00 C ATOM 243 CG ASP A 18 9.117 5.944 -7.746 1.00 0.00 C ATOM 244 OD1 ASP A 18 8.749 6.510 -6.695 1.00 0.00 O ATOM 245 OD2 ASP A 18 9.647 4.814 -7.825 1.00 0.00 O ATOM 0 H ASP A 18 6.941 6.805 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 18 7.366 7.770 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.380 6.149 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.396 7.667 -8.989 1.00 0.00 H new ATOM 250 N GLY A 19 5.578 5.583 -10.172 1.00 0.00 N ATOM 251 CA GLY A 19 4.930 4.419 -10.754 1.00 0.00 C ATOM 252 C GLY A 19 5.612 3.128 -10.298 1.00 0.00 C ATOM 253 O GLY A 19 5.948 2.276 -11.119 1.00 0.00 O ATOM 0 H GLY A 19 4.940 6.318 -9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.879 4.401 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.961 4.487 -11.841 1.00 0.00 H new ATOM 257 N ALA A 20 5.794 3.022 -8.990 1.00 0.00 N ATOM 258 CA ALA A 20 6.429 1.848 -8.415 1.00 0.00 C ATOM 259 C ALA A 20 5.427 1.120 -7.517 1.00 0.00 C ATOM 260 O ALA A 20 5.707 0.868 -6.346 1.00 0.00 O ATOM 261 CB ALA A 20 7.691 2.269 -7.660 1.00 0.00 C ATOM 0 H ALA A 20 5.513 3.730 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 20 6.734 1.154 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.168 1.389 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.382 2.755 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.424 2.964 -6.864 1.00 0.00 H new ATOM 267 N CYS A 21 4.280 0.803 -8.099 1.00 0.00 N ATOM 268 CA CYS A 21 3.235 0.109 -7.366 1.00 0.00 C ATOM 269 C CYS A 21 3.813 -1.204 -6.833 1.00 0.00 C ATOM 270 O CYS A 21 4.619 -1.848 -7.502 1.00 0.00 O ATOM 271 CB CYS A 21 1.996 -0.124 -8.232 1.00 0.00 C ATOM 272 SG CYS A 21 2.418 -1.193 -9.656 1.00 0.00 S ATOM 0 H CYS A 21 4.051 1.014 -9.070 1.00 0.00 H new ATOM 0 HA CYS A 21 2.903 0.725 -6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.210 -0.590 -7.638 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.605 0.830 -8.586 1.00 0.00 H new ATOM 0 HG CYS A 21 3.489 -1.877 -9.383 1.00 0.00 H new ATOM 278 N ARG A 22 3.379 -1.560 -5.633 1.00 0.00 N ATOM 279 CA ARG A 22 3.843 -2.784 -5.003 1.00 0.00 C ATOM 280 C ARG A 22 2.731 -3.396 -4.148 1.00 0.00 C ATOM 281 O ARG A 22 2.296 -2.795 -3.167 1.00 0.00 O ATOM 282 CB ARG A 22 5.067 -2.521 -4.123 1.00 0.00 C ATOM 283 CG ARG A 22 6.355 -2.573 -4.945 1.00 0.00 C ATOM 284 CD ARG A 22 7.477 -1.792 -4.258 1.00 0.00 C ATOM 285 NE ARG A 22 8.735 -1.933 -5.025 1.00 0.00 N ATOM 286 CZ ARG A 22 9.912 -1.421 -4.638 1.00 0.00 C ATOM 287 NH1 ARG A 22 9.998 -0.731 -3.492 1.00 0.00 N ATOM 288 NH2 ARG A 22 11.002 -1.598 -5.397 1.00 0.00 N ATOM 0 H ARG A 22 2.711 -1.022 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 22 4.121 -3.479 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.974 -1.545 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.111 -3.262 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.661 -3.610 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.174 -2.159 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.204 -0.739 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.618 -2.160 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 22 8.705 -2.452 -5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.168 -0.596 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.893 -0.341 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.936 -2.122 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.897 -1.208 -5.102 1.00 0.00 H new ATOM 302 N SER A 23 2.303 -4.583 -4.552 1.00 0.00 N ATOM 303 CA SER A 23 1.250 -5.283 -3.836 1.00 0.00 C ATOM 304 C SER A 23 1.832 -5.989 -2.609 1.00 0.00 C ATOM 305 O SER A 23 3.016 -6.320 -2.583 1.00 0.00 O ATOM 306 CB SER A 23 0.543 -6.291 -4.743 1.00 0.00 C ATOM 307 OG SER A 23 1.445 -7.262 -5.267 1.00 0.00 O ATOM 0 H SER A 23 2.667 -5.078 -5.366 1.00 0.00 H new ATOM 0 HA SER A 23 0.512 -4.550 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.245 -6.794 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.061 -5.763 -5.566 1.00 0.00 H new ATOM 0 HG SER A 23 0.955 -7.888 -5.840 1.00 0.00 H new ATOM 313 N VAL A 24 0.972 -6.198 -1.623 1.00 0.00 N ATOM 314 CA VAL A 24 1.385 -6.859 -0.397 1.00 0.00 C ATOM 315 C VAL A 24 0.255 -7.764 0.095 1.00 0.00 C ATOM 316 O VAL A 24 -0.919 -7.413 -0.013 1.00 0.00 O ATOM 317 CB VAL A 24 1.812 -5.818 0.640 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.203 -5.266 0.323 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.784 -4.689 0.739 1.00 0.00 C ATOM 0 H VAL A 24 -0.009 -5.921 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 24 2.253 -7.493 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 24 1.861 -6.313 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.482 -4.528 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.927 -6.080 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.192 -4.795 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.112 -3.963 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.688 -4.198 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.181 -5.101 1.034 1.00 0.00 H new ATOM 329 N GLU A 25 0.648 -8.913 0.625 1.00 0.00 N ATOM 330 CA GLU A 25 -0.317 -9.872 1.134 1.00 0.00 C ATOM 331 C GLU A 25 -0.608 -9.599 2.612 1.00 0.00 C ATOM 332 O GLU A 25 0.223 -9.881 3.474 1.00 0.00 O ATOM 333 CB GLU A 25 0.173 -11.307 0.928 1.00 0.00 C ATOM 334 CG GLU A 25 -0.654 -12.020 -0.143 1.00 0.00 C ATOM 335 CD GLU A 25 -0.677 -13.531 0.098 1.00 0.00 C ATOM 336 OE1 GLU A 25 -0.822 -13.915 1.278 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.549 -14.267 -0.904 1.00 0.00 O ATOM 0 H GLU A 25 1.622 -9.201 0.713 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.244 -9.756 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.223 -11.298 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.108 -11.856 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.673 -11.632 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.237 -11.812 -1.128 1.00 0.00 H new ATOM 344 N VAL A 26 -1.790 -9.054 2.858 1.00 0.00 N ATOM 345 CA VAL A 26 -2.200 -8.740 4.216 1.00 0.00 C ATOM 346 C VAL A 26 -3.548 -9.406 4.504 1.00 0.00 C ATOM 347 O VAL A 26 -4.189 -9.936 3.597 1.00 0.00 O ATOM 348 CB VAL A 26 -2.228 -7.224 4.417 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.826 -6.627 4.276 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.207 -6.560 3.447 1.00 0.00 C ATOM 0 H VAL A 26 -2.477 -8.822 2.140 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.481 -9.136 4.933 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.576 -7.027 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.873 -5.548 4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.166 -7.067 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.438 -6.840 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.207 -5.482 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.903 -6.771 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.210 -6.953 3.616 1.00 0.00 H new ATOM 360 N ALA A 27 -3.938 -9.357 5.769 1.00 0.00 N ATOM 361 CA ALA A 27 -5.197 -9.948 6.188 1.00 0.00 C ATOM 362 C ALA A 27 -5.907 -8.997 7.153 1.00 0.00 C ATOM 363 O ALA A 27 -5.262 -8.186 7.817 1.00 0.00 O ATOM 364 CB ALA A 27 -4.935 -11.321 6.809 1.00 0.00 C ATOM 0 H ALA A 27 -3.404 -8.917 6.518 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.854 -10.098 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.880 -11.764 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.458 -11.968 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.281 -11.210 7.674 1.00 0.00 H new ATOM 370 N ALA A 28 -7.224 -9.128 7.202 1.00 0.00 N ATOM 371 CA ALA A 28 -8.028 -8.290 8.076 1.00 0.00 C ATOM 372 C ALA A 28 -7.335 -8.166 9.435 1.00 0.00 C ATOM 373 O ALA A 28 -7.464 -9.045 10.284 1.00 0.00 O ATOM 374 CB ALA A 28 -9.436 -8.877 8.192 1.00 0.00 C ATOM 0 H ALA A 28 -7.755 -9.802 6.651 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.126 -7.286 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.039 -8.249 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.896 -8.918 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.378 -9.883 8.607 1.00 0.00 H new ATOM 380 N GLY A 29 -6.615 -7.065 9.597 1.00 0.00 N ATOM 381 CA GLY A 29 -5.901 -6.814 10.837 1.00 0.00 C ATOM 382 C GLY A 29 -4.769 -5.808 10.624 1.00 0.00 C ATOM 383 O GLY A 29 -4.682 -4.806 11.332 1.00 0.00 O ATOM 0 H GLY A 29 -6.511 -6.337 8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.593 -6.434 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.494 -7.749 11.222 1.00 0.00 H new ATOM 387 N ALA A 30 -3.928 -6.110 9.646 1.00 0.00 N ATOM 388 CA ALA A 30 -2.804 -5.244 9.331 1.00 0.00 C ATOM 389 C ALA A 30 -3.290 -3.796 9.245 1.00 0.00 C ATOM 390 O ALA A 30 -4.469 -3.547 8.995 1.00 0.00 O ATOM 391 CB ALA A 30 -2.145 -5.716 8.033 1.00 0.00 C ATOM 0 H ALA A 30 -4.002 -6.942 9.061 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.050 -5.292 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.302 -5.067 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.792 -6.740 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.872 -5.678 7.221 1.00 0.00 H new ATOM 397 N THR A 31 -2.358 -2.879 9.456 1.00 0.00 N ATOM 398 CA THR A 31 -2.676 -1.462 9.405 1.00 0.00 C ATOM 399 C THR A 31 -1.786 -0.752 8.384 1.00 0.00 C ATOM 400 O THR A 31 -0.945 -1.381 7.744 1.00 0.00 O ATOM 401 CB THR A 31 -2.546 -0.898 10.821 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.144 -0.707 10.992 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.915 -1.922 11.896 1.00 0.00 C ATOM 0 H THR A 31 -1.382 -3.090 9.663 1.00 0.00 H new ATOM 0 HA THR A 31 -3.699 -1.298 9.066 1.00 0.00 H new ATOM 0 HB THR A 31 -3.184 -0.020 10.921 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.971 0.216 11.274 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.805 -1.470 12.882 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.948 -2.241 11.756 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.255 -2.786 11.817 1.00 0.00 H new ATOM 411 N ALA A 32 -2.002 0.550 8.263 1.00 0.00 N ATOM 412 CA ALA A 32 -1.229 1.353 7.329 1.00 0.00 C ATOM 413 C ALA A 32 0.257 1.241 7.675 1.00 0.00 C ATOM 414 O ALA A 32 1.115 1.533 6.844 1.00 0.00 O ATOM 415 CB ALA A 32 -1.729 2.798 7.365 1.00 0.00 C ATOM 0 H ALA A 32 -2.700 1.069 8.795 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.358 0.988 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.150 3.401 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.782 2.826 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.612 3.199 8.372 1.00 0.00 H new ATOM 421 N ARG A 33 0.515 0.817 8.904 1.00 0.00 N ATOM 422 CA ARG A 33 1.883 0.663 9.370 1.00 0.00 C ATOM 423 C ARG A 33 2.479 -0.644 8.843 1.00 0.00 C ATOM 424 O ARG A 33 3.584 -0.653 8.303 1.00 0.00 O ATOM 425 CB ARG A 33 1.947 0.665 10.899 1.00 0.00 C ATOM 426 CG ARG A 33 3.203 -0.053 11.396 1.00 0.00 C ATOM 427 CD ARG A 33 4.469 0.643 10.891 1.00 0.00 C ATOM 428 NE ARG A 33 5.564 0.477 11.873 1.00 0.00 N ATOM 429 CZ ARG A 33 6.735 1.125 11.809 1.00 0.00 C ATOM 430 NH1 ARG A 33 6.970 1.987 10.810 1.00 0.00 N ATOM 431 NH2 ARG A 33 7.670 0.912 12.744 1.00 0.00 N ATOM 0 H ARG A 33 -0.200 0.576 9.591 1.00 0.00 H new ATOM 0 HA ARG A 33 2.459 1.507 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.942 1.692 11.265 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.060 0.177 11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.206 -0.075 12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.193 -1.089 11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.765 0.224 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.272 1.703 10.730 1.00 0.00 H new ATOM 0 HE ARG A 33 5.418 -0.171 12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.257 2.150 10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.861 2.480 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.491 0.257 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.562 1.405 12.695 1.00 0.00 H new ATOM 445 N HIS A 34 1.721 -1.716 9.019 1.00 0.00 N ATOM 446 CA HIS A 34 2.160 -3.026 8.568 1.00 0.00 C ATOM 447 C HIS A 34 2.722 -2.918 7.149 1.00 0.00 C ATOM 448 O HIS A 34 3.857 -3.319 6.895 1.00 0.00 O ATOM 449 CB HIS A 34 1.027 -4.048 8.681 1.00 0.00 C ATOM 450 CG HIS A 34 0.949 -4.732 10.025 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.746 -4.041 11.207 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.048 -6.050 10.361 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.726 -4.914 12.203 1.00 0.00 C ATOM 454 NE2 HIS A 34 0.914 -6.159 11.677 1.00 0.00 N ATOM 0 H HIS A 34 0.805 -1.704 9.468 1.00 0.00 H new ATOM 0 HA HIS A 34 2.961 -3.387 9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.079 -3.547 8.484 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.155 -4.804 7.907 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.208 -6.867 9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.586 -4.681 13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.946 -7.030 12.208 1.00 0.00 H new ATOM 462 N VAL A 35 1.902 -2.373 6.262 1.00 0.00 N ATOM 463 CA VAL A 35 2.303 -2.208 4.875 1.00 0.00 C ATOM 464 C VAL A 35 3.585 -1.374 4.816 1.00 0.00 C ATOM 465 O VAL A 35 4.586 -1.808 4.249 1.00 0.00 O ATOM 466 CB VAL A 35 1.155 -1.598 4.068 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.599 -1.280 2.638 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.066 -2.520 4.070 1.00 0.00 C ATOM 0 H VAL A 35 0.962 -2.040 6.477 1.00 0.00 H new ATOM 0 HA VAL A 35 2.523 -3.175 4.422 1.00 0.00 H new ATOM 0 HB VAL A 35 0.869 -0.661 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.765 -0.848 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.425 -0.569 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.924 -2.197 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.868 -2.063 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.202 -3.479 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.403 -2.675 5.095 1.00 0.00 H new ATOM 478 N CYS A 36 3.511 -0.191 5.408 1.00 0.00 N ATOM 479 CA CYS A 36 4.652 0.708 5.429 1.00 0.00 C ATOM 480 C CYS A 36 5.893 -0.101 5.814 1.00 0.00 C ATOM 481 O CYS A 36 6.885 -0.106 5.087 1.00 0.00 O ATOM 482 CB CYS A 36 4.425 1.889 6.375 1.00 0.00 C ATOM 483 SG CYS A 36 5.958 2.877 6.523 1.00 0.00 S ATOM 0 H CYS A 36 2.678 0.166 5.877 1.00 0.00 H new ATOM 0 HA CYS A 36 4.794 1.142 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.614 2.514 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.121 1.526 7.357 1.00 0.00 H new ATOM 0 HG CYS A 36 5.753 3.878 7.327 1.00 0.00 H new ATOM 489 N GLU A 37 5.797 -0.764 6.957 1.00 0.00 N ATOM 490 CA GLU A 37 6.899 -1.574 7.447 1.00 0.00 C ATOM 491 C GLU A 37 7.322 -2.593 6.386 1.00 0.00 C ATOM 492 O GLU A 37 8.499 -2.684 6.042 1.00 0.00 O ATOM 493 CB GLU A 37 6.528 -2.270 8.758 1.00 0.00 C ATOM 494 CG GLU A 37 6.858 -1.384 9.961 1.00 0.00 C ATOM 495 CD GLU A 37 8.309 -1.580 10.404 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.199 -1.318 9.566 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.497 -1.987 11.571 1.00 0.00 O ATOM 0 H GLU A 37 4.973 -0.757 7.558 1.00 0.00 H new ATOM 0 HA GLU A 37 7.745 -0.917 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.465 -2.509 8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.067 -3.214 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.691 -0.338 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.187 -1.621 10.787 1.00 0.00 H new ATOM 504 N MET A 38 6.338 -3.333 5.897 1.00 0.00 N ATOM 505 CA MET A 38 6.593 -4.342 4.883 1.00 0.00 C ATOM 506 C MET A 38 7.275 -3.728 3.659 1.00 0.00 C ATOM 507 O MET A 38 8.386 -4.118 3.301 1.00 0.00 O ATOM 508 CB MET A 38 5.272 -4.987 4.460 1.00 0.00 C ATOM 509 CG MET A 38 4.635 -5.747 5.626 1.00 0.00 C ATOM 510 SD MET A 38 2.858 -5.595 5.557 1.00 0.00 S ATOM 511 CE MET A 38 2.561 -6.189 3.900 1.00 0.00 C ATOM 0 H MET A 38 5.362 -3.254 6.184 1.00 0.00 H new ATOM 0 HA MET A 38 7.256 -5.096 5.307 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.586 -4.219 4.104 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.446 -5.669 3.628 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.920 -6.798 5.584 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.005 -5.354 6.573 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.161 -5.379 3.289 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.497 -6.542 3.467 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.843 -7.009 3.931 1.00 0.00 H new ATOM 521 N LEU A 39 6.583 -2.777 3.049 1.00 0.00 N ATOM 522 CA LEU A 39 7.108 -2.105 1.873 1.00 0.00 C ATOM 523 C LEU A 39 8.507 -1.568 2.180 1.00 0.00 C ATOM 524 O LEU A 39 9.455 -1.837 1.443 1.00 0.00 O ATOM 525 CB LEU A 39 6.131 -1.033 1.387 1.00 0.00 C ATOM 526 CG LEU A 39 4.779 -1.538 0.879 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.913 -0.380 0.380 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.963 -2.618 -0.189 1.00 0.00 C ATOM 0 H LEU A 39 5.662 -2.456 3.348 1.00 0.00 H new ATOM 0 HA LEU A 39 7.210 -2.808 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.952 -0.335 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.610 -0.469 0.586 1.00 0.00 H new ATOM 0 HG LEU A 39 4.251 -1.998 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.958 -0.767 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.739 0.322 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.424 0.131 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.987 -2.960 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.521 -2.206 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.513 -3.458 0.234 1.00 0.00 H new ATOM 540 N VAL A 40 8.593 -0.818 3.269 1.00 0.00 N ATOM 541 CA VAL A 40 9.861 -0.241 3.682 1.00 0.00 C ATOM 542 C VAL A 40 10.973 -1.274 3.492 1.00 0.00 C ATOM 543 O VAL A 40 12.008 -0.975 2.899 1.00 0.00 O ATOM 544 CB VAL A 40 9.759 0.270 5.121 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.146 0.434 5.744 1.00 0.00 C ATOM 546 CG2 VAL A 40 8.971 1.580 5.183 1.00 0.00 C ATOM 0 H VAL A 40 7.805 -0.597 3.878 1.00 0.00 H new ATOM 0 HA VAL A 40 10.109 0.620 3.062 1.00 0.00 H new ATOM 0 HB VAL A 40 9.217 -0.475 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.045 0.798 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.658 -0.528 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.725 1.149 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.913 1.921 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.473 2.336 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.964 1.418 4.798 1.00 0.00 H new ATOM 556 N GLN A 41 10.721 -2.469 4.007 1.00 0.00 N ATOM 557 CA GLN A 41 11.688 -3.548 3.901 1.00 0.00 C ATOM 558 C GLN A 41 11.086 -4.854 4.424 1.00 0.00 C ATOM 559 O GLN A 41 11.209 -5.898 3.786 1.00 0.00 O ATOM 560 CB GLN A 41 12.979 -3.203 4.646 1.00 0.00 C ATOM 561 CG GLN A 41 12.735 -3.115 6.154 1.00 0.00 C ATOM 562 CD GLN A 41 13.992 -2.642 6.886 1.00 0.00 C ATOM 563 OE1 GLN A 41 14.766 -3.423 7.415 1.00 0.00 O ATOM 564 NE2 GLN A 41 14.153 -1.321 6.887 1.00 0.00 N ATOM 0 H GLN A 41 9.861 -2.713 4.499 1.00 0.00 H new ATOM 0 HA GLN A 41 11.939 -3.682 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.735 -3.960 4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.371 -2.253 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.913 -2.427 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.434 -4.091 6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.467 -0.723 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.962 -0.906 7.349 1.00 0.00 H new ATOM 573 N ARG A 42 10.447 -4.752 5.580 1.00 0.00 N ATOM 574 CA ARG A 42 9.825 -5.912 6.196 1.00 0.00 C ATOM 575 C ARG A 42 9.415 -5.592 7.635 1.00 0.00 C ATOM 576 O ARG A 42 8.226 -5.522 7.944 1.00 0.00 O ATOM 577 CB ARG A 42 10.776 -7.110 6.199 1.00 0.00 C ATOM 578 CG ARG A 42 10.222 -8.252 5.344 1.00 0.00 C ATOM 579 CD ARG A 42 9.058 -8.950 6.051 1.00 0.00 C ATOM 580 NE ARG A 42 8.587 -10.095 5.240 1.00 0.00 N ATOM 581 CZ ARG A 42 7.864 -11.113 5.726 1.00 0.00 C ATOM 582 NH1 ARG A 42 7.524 -11.135 7.022 1.00 0.00 N ATOM 583 NH2 ARG A 42 7.481 -12.110 4.917 1.00 0.00 N ATOM 0 H ARG A 42 10.346 -3.884 6.106 1.00 0.00 H new ATOM 0 HA ARG A 42 8.942 -6.165 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.751 -6.806 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.927 -7.457 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.887 -7.862 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.013 -8.974 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.374 -9.296 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.242 -8.245 6.208 1.00 0.00 H new ATOM 0 HE ARG A 42 8.828 -10.110 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.816 -10.377 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.974 -11.910 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.740 -12.094 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.931 -12.885 5.288 1.00 0.00 H new ATOM 597 N ALA A 43 10.421 -5.408 8.477 1.00 0.00 N ATOM 598 CA ALA A 43 10.180 -5.098 9.876 1.00 0.00 C ATOM 599 C ALA A 43 11.472 -4.577 10.508 1.00 0.00 C ATOM 600 O ALA A 43 12.549 -4.710 9.929 1.00 0.00 O ATOM 601 CB ALA A 43 9.641 -6.339 10.588 1.00 0.00 C ATOM 0 H ALA A 43 11.406 -5.468 8.217 1.00 0.00 H new ATOM 0 HA ALA A 43 9.428 -4.315 9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.460 -6.107 11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.708 -6.651 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.370 -7.146 10.516 1.00 0.00 H new ATOM 607 N HIS A 44 11.321 -3.993 11.689 1.00 0.00 N ATOM 608 CA HIS A 44 12.463 -3.452 12.406 1.00 0.00 C ATOM 609 C HIS A 44 13.226 -2.484 11.500 1.00 0.00 C ATOM 610 O HIS A 44 13.987 -2.909 10.632 1.00 0.00 O ATOM 611 CB HIS A 44 13.346 -4.576 12.950 1.00 0.00 C ATOM 612 CG HIS A 44 12.596 -5.615 13.749 1.00 0.00 C ATOM 613 ND1 HIS A 44 12.094 -5.369 15.015 1.00 0.00 N ATOM 614 CD2 HIS A 44 12.267 -6.904 13.448 1.00 0.00 C ATOM 615 CE1 HIS A 44 11.493 -6.468 15.448 1.00 0.00 C ATOM 616 NE2 HIS A 44 11.601 -7.418 14.475 1.00 0.00 N ATOM 0 H HIS A 44 10.426 -3.883 12.166 1.00 0.00 H new ATOM 0 HA HIS A 44 12.118 -2.888 13.273 1.00 0.00 H new ATOM 0 HB2 HIS A 44 13.847 -5.066 12.116 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.124 -4.141 13.578 1.00 0.00 H new ATOM 0 HD2 HIS A 44 12.508 -7.419 12.530 1.00 0.00 H new ATOM 0 HE1 HIS A 44 11.004 -6.590 16.403 1.00 0.00 H new ATOM 0 HE2 HIS A 44 11.231 -8.367 14.528 1.00 0.00 H new ATOM 624 N ALA A 45 12.997 -1.200 11.734 1.00 0.00 N ATOM 625 CA ALA A 45 13.653 -0.168 10.950 1.00 0.00 C ATOM 626 C ALA A 45 14.448 0.748 11.883 1.00 0.00 C ATOM 627 O ALA A 45 14.376 0.610 13.103 1.00 0.00 O ATOM 628 CB ALA A 45 12.609 0.596 10.133 1.00 0.00 C ATOM 0 H ALA A 45 12.366 -0.851 12.456 1.00 0.00 H new ATOM 0 HA ALA A 45 14.356 -0.612 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.102 1.370 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.094 -0.094 9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.886 1.057 10.806 1.00 0.00 H new ATOM 634 N LEU A 46 15.187 1.664 11.274 1.00 0.00 N ATOM 635 CA LEU A 46 15.994 2.602 12.035 1.00 0.00 C ATOM 636 C LEU A 46 15.135 3.807 12.426 1.00 0.00 C ATOM 637 O LEU A 46 14.320 4.276 11.633 1.00 0.00 O ATOM 638 CB LEU A 46 17.258 2.975 11.259 1.00 0.00 C ATOM 639 CG LEU A 46 18.392 3.592 12.080 1.00 0.00 C ATOM 640 CD1 LEU A 46 18.059 5.031 12.479 1.00 0.00 C ATOM 641 CD2 LEU A 46 18.726 2.723 13.294 1.00 0.00 C ATOM 0 H LEU A 46 15.244 1.776 10.262 1.00 0.00 H new ATOM 0 HA LEU A 46 16.340 2.142 12.961 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.637 2.078 10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.983 3.677 10.471 1.00 0.00 H new ATOM 0 HG LEU A 46 19.285 3.629 11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.881 5.447 13.062 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.910 5.632 11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.148 5.041 13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.535 3.184 13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.845 2.631 13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.036 1.733 12.959 1.00 0.00 H new ATOM 653 N SER A 47 15.346 4.272 13.648 1.00 0.00 N ATOM 654 CA SER A 47 14.601 5.413 14.154 1.00 0.00 C ATOM 655 C SER A 47 14.983 6.674 13.375 1.00 0.00 C ATOM 656 O SER A 47 15.747 7.503 13.865 1.00 0.00 O ATOM 657 CB SER A 47 14.853 5.617 15.649 1.00 0.00 C ATOM 658 OG SER A 47 13.692 5.342 16.428 1.00 0.00 O ATOM 0 H SER A 47 16.022 3.880 14.303 1.00 0.00 H new ATOM 0 HA SER A 47 13.538 5.215 14.016 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.668 4.969 15.971 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.174 6.644 15.826 1.00 0.00 H new ATOM 0 HG SER A 47 13.894 5.482 17.377 1.00 0.00 H new ATOM 664 N ASP A 48 14.433 6.778 12.174 1.00 0.00 N ATOM 665 CA ASP A 48 14.706 7.923 11.323 1.00 0.00 C ATOM 666 C ASP A 48 13.851 7.827 10.057 1.00 0.00 C ATOM 667 O ASP A 48 13.583 6.732 9.566 1.00 0.00 O ATOM 668 CB ASP A 48 16.176 7.957 10.899 1.00 0.00 C ATOM 669 CG ASP A 48 16.724 9.349 10.577 1.00 0.00 C ATOM 670 OD1 ASP A 48 15.981 10.323 10.827 1.00 0.00 O ATOM 671 OD2 ASP A 48 17.872 9.407 10.088 1.00 0.00 O ATOM 0 H ASP A 48 13.800 6.088 11.770 1.00 0.00 H new ATOM 0 HA ASP A 48 14.473 8.826 11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.779 7.521 11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.300 7.322 10.022 1.00 0.00 H new ATOM 676 N GLU A 49 13.448 8.989 9.564 1.00 0.00 N ATOM 677 CA GLU A 49 12.630 9.050 8.365 1.00 0.00 C ATOM 678 C GLU A 49 11.288 8.356 8.603 1.00 0.00 C ATOM 679 O GLU A 49 11.217 7.128 8.639 1.00 0.00 O ATOM 680 CB GLU A 49 13.362 8.435 7.170 1.00 0.00 C ATOM 681 CG GLU A 49 14.462 9.368 6.662 1.00 0.00 C ATOM 682 CD GLU A 49 15.823 8.668 6.671 1.00 0.00 C ATOM 683 OE1 GLU A 49 16.061 7.879 5.731 1.00 0.00 O ATOM 684 OE2 GLU A 49 16.593 8.936 7.618 1.00 0.00 O ATOM 0 H GLU A 49 13.673 9.896 9.973 1.00 0.00 H new ATOM 0 HA GLU A 49 12.439 10.097 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.797 7.478 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.652 8.234 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.225 9.698 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.504 10.260 7.287 1.00 0.00 H new ATOM 691 N THR A 50 10.255 9.171 8.759 1.00 0.00 N ATOM 692 CA THR A 50 8.919 8.651 8.992 1.00 0.00 C ATOM 693 C THR A 50 8.229 8.338 7.663 1.00 0.00 C ATOM 694 O THR A 50 8.488 8.994 6.655 1.00 0.00 O ATOM 695 CB THR A 50 8.158 9.666 9.847 1.00 0.00 C ATOM 696 OG1 THR A 50 8.297 10.893 9.135 1.00 0.00 O ATOM 697 CG2 THR A 50 8.844 9.934 11.188 1.00 0.00 C ATOM 0 H THR A 50 10.317 10.189 8.728 1.00 0.00 H new ATOM 0 HA THR A 50 8.952 7.707 9.536 1.00 0.00 H new ATOM 0 HB THR A 50 7.145 9.304 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.125 11.644 9.741 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.263 10.661 11.755 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.913 9.005 11.753 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.845 10.327 11.012 1.00 0.00 H new ATOM 705 N TRP A 51 7.364 7.334 7.703 1.00 0.00 N ATOM 706 CA TRP A 51 6.635 6.926 6.514 1.00 0.00 C ATOM 707 C TRP A 51 5.193 6.624 6.925 1.00 0.00 C ATOM 708 O TRP A 51 4.877 6.584 8.113 1.00 0.00 O ATOM 709 CB TRP A 51 7.322 5.743 5.829 1.00 0.00 C ATOM 710 CG TRP A 51 8.547 6.131 4.997 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.732 6.579 5.433 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.658 6.086 3.559 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.596 6.826 4.386 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.922 6.516 3.210 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.722 5.695 2.586 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.366 6.597 1.884 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.181 5.781 1.266 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.450 6.212 0.897 1.00 0.00 C ATOM 0 H TRP A 51 7.152 6.791 8.540 1.00 0.00 H new ATOM 0 HA TRP A 51 6.626 7.726 5.773 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.625 5.022 6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.601 5.241 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.980 6.728 6.474 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.553 7.172 4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.728 5.355 2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.360 6.938 1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.501 5.492 0.479 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.728 6.250 -0.146 1.00 0.00 H new ATOM 729 N GLY A 52 4.356 6.419 5.918 1.00 0.00 N ATOM 730 CA GLY A 52 2.954 6.122 6.160 1.00 0.00 C ATOM 731 C GLY A 52 2.208 5.892 4.844 1.00 0.00 C ATOM 732 O GLY A 52 2.812 5.910 3.772 1.00 0.00 O ATOM 0 H GLY A 52 4.622 6.453 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.869 5.236 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.493 6.946 6.705 1.00 0.00 H new ATOM 736 N LEU A 53 0.905 5.683 4.968 1.00 0.00 N ATOM 737 CA LEU A 53 0.070 5.450 3.802 1.00 0.00 C ATOM 738 C LEU A 53 -0.773 6.697 3.527 1.00 0.00 C ATOM 739 O LEU A 53 -1.095 7.448 4.446 1.00 0.00 O ATOM 740 CB LEU A 53 -0.757 4.176 3.981 1.00 0.00 C ATOM 741 CG LEU A 53 -0.221 2.924 3.282 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.226 1.774 3.371 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.174 3.231 1.836 1.00 0.00 C ATOM 0 H LEU A 53 0.407 5.670 5.858 1.00 0.00 H new ATOM 0 HA LEU A 53 0.687 5.280 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.838 3.966 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.766 4.368 3.616 1.00 0.00 H new ATOM 0 HG LEU A 53 0.682 2.602 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.821 0.897 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.415 1.536 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.160 2.069 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.552 2.325 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.698 3.591 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.950 3.996 1.825 1.00 0.00 H new ATOM 755 N VAL A 54 -1.106 6.879 2.258 1.00 0.00 N ATOM 756 CA VAL A 54 -1.905 8.021 1.850 1.00 0.00 C ATOM 757 C VAL A 54 -2.947 7.570 0.824 1.00 0.00 C ATOM 758 O VAL A 54 -2.595 7.115 -0.264 1.00 0.00 O ATOM 759 CB VAL A 54 -0.997 9.137 1.329 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.815 10.247 0.667 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.118 9.697 2.450 1.00 0.00 C ATOM 0 H VAL A 54 -0.837 6.254 1.498 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.445 8.432 2.703 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.341 8.708 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.145 11.027 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.377 9.835 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.507 10.672 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.518 10.489 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.750 10.101 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.505 8.900 2.856 1.00 0.00 H new ATOM 771 N GLU A 55 -4.207 7.712 1.206 1.00 0.00 N ATOM 772 CA GLU A 55 -5.302 7.325 0.332 1.00 0.00 C ATOM 773 C GLU A 55 -5.500 8.371 -0.767 1.00 0.00 C ATOM 774 O GLU A 55 -5.839 9.518 -0.483 1.00 0.00 O ATOM 775 CB GLU A 55 -6.591 7.115 1.128 1.00 0.00 C ATOM 776 CG GLU A 55 -7.143 8.448 1.638 1.00 0.00 C ATOM 777 CD GLU A 55 -7.727 8.298 3.045 1.00 0.00 C ATOM 778 OE1 GLU A 55 -6.919 8.301 3.998 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.969 8.183 3.134 1.00 0.00 O ATOM 0 H GLU A 55 -4.495 8.090 2.109 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.046 6.376 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.335 6.626 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.398 6.451 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.349 9.195 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.913 8.811 0.958 1.00 0.00 H new ATOM 786 N CYS A 56 -5.279 7.937 -1.999 1.00 0.00 N ATOM 787 CA CYS A 56 -5.429 8.821 -3.142 1.00 0.00 C ATOM 788 C CYS A 56 -6.814 8.591 -3.749 1.00 0.00 C ATOM 789 O CYS A 56 -7.309 7.465 -3.766 1.00 0.00 O ATOM 790 CB CYS A 56 -4.314 8.613 -4.169 1.00 0.00 C ATOM 791 SG CYS A 56 -3.067 9.944 -4.018 1.00 0.00 S ATOM 0 H CYS A 56 -4.997 6.984 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.344 9.858 -2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.842 7.643 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.732 8.608 -5.176 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.229 9.868 -5.009 1.00 0.00 H new ATOM 797 N HIS A 57 -7.401 9.676 -4.233 1.00 0.00 N ATOM 798 CA HIS A 57 -8.719 9.607 -4.840 1.00 0.00 C ATOM 799 C HIS A 57 -8.611 9.903 -6.337 1.00 0.00 C ATOM 800 O HIS A 57 -8.623 11.062 -6.747 1.00 0.00 O ATOM 801 CB HIS A 57 -9.698 10.537 -4.121 1.00 0.00 C ATOM 802 CG HIS A 57 -10.054 10.092 -2.723 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.325 8.773 -2.402 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.180 10.803 -1.566 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.601 8.705 -1.108 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.511 9.964 -0.592 1.00 0.00 N ATOM 0 H HIS A 57 -6.987 10.608 -4.217 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.120 8.599 -4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.266 11.536 -4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.611 10.612 -4.711 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.035 11.868 -1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.853 7.810 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.672 10.219 0.382 1.00 0.00 H new ATOM 814 N PRO A 58 -8.506 8.805 -7.134 1.00 0.00 N ATOM 815 CA PRO A 58 -8.396 8.936 -8.577 1.00 0.00 C ATOM 816 C PRO A 58 -9.745 9.300 -9.199 1.00 0.00 C ATOM 817 O PRO A 58 -10.238 8.595 -10.078 1.00 0.00 O ATOM 818 CB PRO A 58 -7.865 7.594 -9.054 1.00 0.00 C ATOM 819 CG PRO A 58 -8.136 6.613 -7.925 1.00 0.00 C ATOM 820 CD PRO A 58 -8.488 7.417 -6.683 1.00 0.00 C ATOM 0 HA PRO A 58 -7.728 9.743 -8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.363 7.281 -9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.799 7.652 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.953 5.942 -8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.260 5.991 -7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.456 7.119 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.753 7.267 -5.892 1.00 0.00 H new ATOM 828 N HIS A 59 -10.305 10.400 -8.717 1.00 0.00 N ATOM 829 CA HIS A 59 -11.588 10.866 -9.215 1.00 0.00 C ATOM 830 C HIS A 59 -11.839 12.295 -8.728 1.00 0.00 C ATOM 831 O HIS A 59 -12.315 13.138 -9.486 1.00 0.00 O ATOM 832 CB HIS A 59 -12.707 9.900 -8.821 1.00 0.00 C ATOM 833 CG HIS A 59 -12.716 9.535 -7.355 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.619 8.989 -6.713 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.698 9.645 -6.415 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.938 8.782 -5.443 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.227 9.188 -5.261 1.00 0.00 N ATOM 0 H HIS A 59 -9.894 10.982 -7.987 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.573 10.888 -10.305 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.667 10.347 -9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.611 8.989 -9.411 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.690 10.037 -6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.291 8.365 -4.686 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.744 9.147 -4.383 1.00 0.00 H new ATOM 845 N LEU A 60 -11.507 12.522 -7.466 1.00 0.00 N ATOM 846 CA LEU A 60 -11.691 13.834 -6.868 1.00 0.00 C ATOM 847 C LEU A 60 -10.339 14.547 -6.789 1.00 0.00 C ATOM 848 O LEU A 60 -10.262 15.692 -6.346 1.00 0.00 O ATOM 849 CB LEU A 60 -12.403 13.714 -5.520 1.00 0.00 C ATOM 850 CG LEU A 60 -13.321 12.502 -5.351 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.020 12.528 -3.990 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.320 12.406 -6.507 1.00 0.00 C ATOM 0 H LEU A 60 -11.112 11.820 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.341 14.449 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.648 13.685 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.993 14.617 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.707 11.602 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.666 11.655 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.273 12.513 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.620 13.434 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.961 11.536 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.932 13.307 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.779 12.306 -7.448 1.00 0.00 H new ATOM 864 N ALA A 61 -9.307 13.840 -7.226 1.00 0.00 N ATOM 865 CA ALA A 61 -7.962 14.391 -7.209 1.00 0.00 C ATOM 866 C ALA A 61 -7.629 14.869 -5.795 1.00 0.00 C ATOM 867 O ALA A 61 -7.164 15.993 -5.609 1.00 0.00 O ATOM 868 CB ALA A 61 -7.858 15.514 -8.244 1.00 0.00 C ATOM 0 H ALA A 61 -9.375 12.891 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.231 13.629 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.850 15.928 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.075 15.116 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.575 16.299 -8.003 1.00 0.00 H new ATOM 874 N LEU A 62 -7.878 13.992 -4.834 1.00 0.00 N ATOM 875 CA LEU A 62 -7.610 14.310 -3.442 1.00 0.00 C ATOM 876 C LEU A 62 -6.545 13.355 -2.901 1.00 0.00 C ATOM 877 O LEU A 62 -6.302 12.298 -3.481 1.00 0.00 O ATOM 878 CB LEU A 62 -8.908 14.307 -2.632 1.00 0.00 C ATOM 879 CG LEU A 62 -9.147 15.529 -1.743 1.00 0.00 C ATOM 880 CD1 LEU A 62 -8.146 15.570 -0.587 1.00 0.00 C ATOM 881 CD2 LEU A 62 -9.126 16.818 -2.566 1.00 0.00 C ATOM 0 H LEU A 62 -8.263 13.061 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.208 15.319 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.745 14.217 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.918 13.417 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.141 15.444 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.338 16.448 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.253 14.671 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.132 15.620 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.298 17.671 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.156 16.924 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.909 16.779 -3.324 1.00 0.00 H new ATOM 893 N GLU A 63 -5.937 13.761 -1.796 1.00 0.00 N ATOM 894 CA GLU A 63 -4.904 12.954 -1.170 1.00 0.00 C ATOM 895 C GLU A 63 -4.969 13.095 0.352 1.00 0.00 C ATOM 896 O GLU A 63 -4.582 14.125 0.902 1.00 0.00 O ATOM 897 CB GLU A 63 -3.518 13.334 -1.696 1.00 0.00 C ATOM 898 CG GLU A 63 -3.401 13.040 -3.193 1.00 0.00 C ATOM 899 CD GLU A 63 -3.673 14.297 -4.022 1.00 0.00 C ATOM 900 OE1 GLU A 63 -2.918 15.275 -3.835 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.631 14.251 -4.824 1.00 0.00 O ATOM 0 H GLU A 63 -6.140 14.639 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.081 11.910 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.334 14.393 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.754 12.779 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.403 12.662 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.108 12.258 -3.470 1.00 0.00 H new ATOM 908 N ARG A 64 -5.463 12.044 0.991 1.00 0.00 N ATOM 909 CA ARG A 64 -5.584 12.037 2.439 1.00 0.00 C ATOM 910 C ARG A 64 -4.628 11.010 3.047 1.00 0.00 C ATOM 911 O ARG A 64 -4.464 9.915 2.510 1.00 0.00 O ATOM 912 CB ARG A 64 -7.015 11.710 2.870 1.00 0.00 C ATOM 913 CG ARG A 64 -7.158 11.775 4.392 1.00 0.00 C ATOM 914 CD ARG A 64 -7.970 13.002 4.814 1.00 0.00 C ATOM 915 NE ARG A 64 -9.395 12.636 4.970 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.305 13.403 5.587 1.00 0.00 C ATOM 917 NH1 ARG A 64 -9.942 14.582 6.109 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.576 12.990 5.682 1.00 0.00 N ATOM 0 H ARG A 64 -5.784 11.191 0.532 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.327 13.034 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.708 12.412 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.286 10.715 2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.645 10.870 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.171 11.812 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.583 13.399 5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.868 13.790 4.068 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.704 11.744 4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.974 14.895 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.634 15.166 6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.851 12.092 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.268 13.574 6.152 1.00 0.00 H new ATOM 932 N GLY A 65 -4.021 11.399 4.158 1.00 0.00 N ATOM 933 CA GLY A 65 -3.085 10.525 4.845 1.00 0.00 C ATOM 934 C GLY A 65 -3.719 9.919 6.098 1.00 0.00 C ATOM 935 O GLY A 65 -4.468 10.590 6.806 1.00 0.00 O ATOM 0 H GLY A 65 -4.159 12.308 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.766 9.728 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.192 11.087 5.120 1.00 0.00 H new ATOM 939 N LEU A 66 -3.397 8.655 6.333 1.00 0.00 N ATOM 940 CA LEU A 66 -3.926 7.950 7.489 1.00 0.00 C ATOM 941 C LEU A 66 -2.770 7.535 8.401 1.00 0.00 C ATOM 942 O LEU A 66 -1.649 7.335 7.936 1.00 0.00 O ATOM 943 CB LEU A 66 -4.809 6.783 7.045 1.00 0.00 C ATOM 944 CG LEU A 66 -4.174 5.797 6.062 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.753 4.392 6.244 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.315 6.292 4.621 1.00 0.00 C ATOM 0 H LEU A 66 -2.777 8.101 5.743 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.573 8.605 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.121 6.231 7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.712 7.189 6.589 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.108 5.737 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.285 3.711 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.559 4.047 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.829 4.416 6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.855 5.573 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.371 6.399 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.819 7.257 4.518 1.00 0.00 H new ATOM 958 N GLU A 67 -3.083 7.418 9.683 1.00 0.00 N ATOM 959 CA GLU A 67 -2.084 7.030 10.665 1.00 0.00 C ATOM 960 C GLU A 67 -1.748 5.544 10.521 1.00 0.00 C ATOM 961 O GLU A 67 -2.255 4.873 9.624 1.00 0.00 O ATOM 962 CB GLU A 67 -2.557 7.351 12.084 1.00 0.00 C ATOM 963 CG GLU A 67 -2.079 8.737 12.521 1.00 0.00 C ATOM 964 CD GLU A 67 -1.284 8.656 13.826 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.834 8.082 14.791 1.00 0.00 O ATOM 966 OE2 GLU A 67 -0.146 9.171 13.830 1.00 0.00 O ATOM 0 H GLU A 67 -4.014 7.585 10.065 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.178 7.607 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.645 7.308 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.180 6.598 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.458 9.175 11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.937 9.396 12.654 1.00 0.00 H new ATOM 973 N ASP A 68 -0.894 5.075 11.419 1.00 0.00 N ATOM 974 CA ASP A 68 -0.483 3.681 11.403 1.00 0.00 C ATOM 975 C ASP A 68 -1.633 2.810 11.913 1.00 0.00 C ATOM 976 O ASP A 68 -2.066 1.884 11.229 1.00 0.00 O ATOM 977 CB ASP A 68 0.724 3.452 12.315 1.00 0.00 C ATOM 978 CG ASP A 68 0.787 4.360 13.544 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.095 5.556 13.351 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.526 3.839 14.650 1.00 0.00 O ATOM 0 H ASP A 68 -0.476 5.635 12.162 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.216 3.419 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.717 2.414 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.634 3.593 11.731 1.00 0.00 H new ATOM 985 N HIS A 69 -2.095 3.137 13.111 1.00 0.00 N ATOM 986 CA HIS A 69 -3.186 2.396 13.721 1.00 0.00 C ATOM 987 C HIS A 69 -4.303 2.191 12.696 1.00 0.00 C ATOM 988 O HIS A 69 -4.954 1.147 12.682 1.00 0.00 O ATOM 989 CB HIS A 69 -3.671 3.092 14.994 1.00 0.00 C ATOM 990 CG HIS A 69 -4.365 4.410 14.748 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.681 5.607 14.628 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.688 4.706 14.598 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.562 6.574 14.418 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.806 6.013 14.400 1.00 0.00 N ATOM 0 H HIS A 69 -1.733 3.906 13.676 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.834 1.411 14.027 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.354 2.426 15.522 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.818 3.260 15.651 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.502 3.997 14.634 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.336 7.622 14.285 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.682 6.515 14.258 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.490 3.203 11.862 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.517 3.147 10.835 1.00 0.00 C ATOM 1004 C GLU A 70 -5.379 1.863 10.015 1.00 0.00 C ATOM 1005 O GLU A 70 -4.298 1.555 9.516 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.460 4.382 9.934 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.980 5.620 10.667 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.508 5.617 10.733 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.038 4.867 11.581 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.113 6.364 9.934 1.00 0.00 O ATOM 0 H GLU A 70 -3.948 4.067 11.876 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.491 3.139 11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.434 4.552 9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.055 4.210 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.569 5.649 11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.636 6.520 10.157 1.00 0.00 H new ATOM 1017 N SER A 71 -6.488 1.148 9.903 1.00 0.00 N ATOM 1018 CA SER A 71 -6.504 -0.096 9.152 1.00 0.00 C ATOM 1019 C SER A 71 -6.783 0.188 7.674 1.00 0.00 C ATOM 1020 O SER A 71 -7.804 0.784 7.335 1.00 0.00 O ATOM 1021 CB SER A 71 -7.547 -1.065 9.712 1.00 0.00 C ATOM 1022 OG SER A 71 -6.955 -2.080 10.517 1.00 0.00 O ATOM 0 H SER A 71 -7.382 1.406 10.320 1.00 0.00 H new ATOM 0 HA SER A 71 -5.525 -0.565 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.275 -0.511 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.092 -1.527 8.889 1.00 0.00 H new ATOM 0 HG SER A 71 -6.206 -2.486 10.033 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.858 -0.253 6.835 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.991 -0.054 5.402 1.00 0.00 C ATOM 1030 C VAL A 72 -7.317 -0.654 4.929 1.00 0.00 C ATOM 1031 O VAL A 72 -7.989 -0.085 4.070 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.778 -0.640 4.677 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.598 0.334 4.708 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.387 -1.995 5.269 1.00 0.00 C ATOM 0 H VAL A 72 -5.013 -0.748 7.120 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.012 1.010 5.165 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.055 -0.798 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.749 -0.107 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.882 1.265 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.322 0.538 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.522 -2.389 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.138 -1.873 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.221 -2.689 5.171 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.654 -1.795 5.511 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.888 -2.479 5.161 1.00 0.00 C ATOM 1046 C VAL A 73 -10.080 -1.638 5.622 1.00 0.00 C ATOM 1047 O VAL A 73 -10.888 -1.199 4.804 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.889 -3.891 5.749 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.163 -4.645 5.361 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.641 -4.665 5.319 1.00 0.00 C ATOM 0 H VAL A 73 -7.094 -2.264 6.223 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.969 -2.592 4.080 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.870 -3.802 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.139 -5.646 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.033 -4.108 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.226 -4.718 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.667 -5.666 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.616 -4.739 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.750 -4.142 5.668 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.153 -1.439 6.929 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.233 -0.659 7.509 1.00 0.00 C ATOM 1062 C GLU A 74 -11.384 0.671 6.767 1.00 0.00 C ATOM 1063 O GLU A 74 -12.500 1.135 6.539 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.003 -0.430 9.004 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.047 -1.751 9.774 1.00 0.00 C ATOM 1066 CD GLU A 74 -12.337 -1.867 10.589 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -12.591 -0.938 11.386 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -13.040 -2.882 10.397 1.00 0.00 O ATOM 0 H GLU A 74 -9.481 -1.805 7.604 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.160 -1.221 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.038 0.052 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.763 0.247 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.977 -2.585 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.185 -1.818 10.438 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.245 1.247 6.412 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.237 2.514 5.701 1.00 0.00 C ATOM 1077 C VAL A 75 -10.561 2.268 4.226 1.00 0.00 C ATOM 1078 O VAL A 75 -11.146 3.124 3.564 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.897 3.222 5.909 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.848 4.542 5.136 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.620 3.446 7.397 1.00 0.00 C ATOM 0 H VAL A 75 -9.321 0.860 6.604 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.005 3.179 6.096 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.112 2.575 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.885 5.025 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.978 4.345 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.647 5.197 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.661 3.951 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.411 4.062 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.590 2.485 7.910 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.167 1.095 3.754 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.408 0.726 2.370 1.00 0.00 C ATOM 1093 C GLN A 76 -11.887 0.394 2.159 1.00 0.00 C ATOM 1094 O GLN A 76 -12.443 0.669 1.097 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.518 -0.446 1.951 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.115 -1.189 0.754 1.00 0.00 C ATOM 1097 CD GLN A 76 -9.020 -1.635 -0.216 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.703 -0.965 -1.186 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.462 -2.801 0.097 1.00 0.00 N ATOM 0 H GLN A 76 -9.682 0.387 4.306 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.153 1.577 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.524 -0.079 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.399 -1.134 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.673 -2.058 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.823 -0.542 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.775 -3.311 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.721 -3.186 -0.489 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.481 -0.193 3.187 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.884 -0.565 3.128 1.00 0.00 C ATOM 1110 C ALA A 77 -14.747 0.690 3.269 1.00 0.00 C ATOM 1111 O ALA A 77 -15.801 0.797 2.643 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.184 -1.603 4.212 1.00 0.00 C ATOM 0 H ALA A 77 -12.016 -0.420 4.066 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.119 -1.021 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.237 -1.882 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.567 -2.487 4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.962 -1.180 5.192 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.268 1.610 4.093 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.982 2.854 4.324 1.00 0.00 C ATOM 1120 C ALA A 78 -15.145 3.597 2.997 1.00 0.00 C ATOM 1121 O ALA A 78 -16.158 4.257 2.771 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.236 3.685 5.370 1.00 0.00 C ATOM 0 H ALA A 78 -13.393 1.519 4.609 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.980 2.657 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.772 4.618 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.173 3.124 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.231 3.905 5.010 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.131 3.466 2.154 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.149 4.117 0.855 1.00 0.00 C ATOM 1130 C TRP A 79 -15.531 3.897 0.235 1.00 0.00 C ATOM 1131 O TRP A 79 -16.117 2.826 0.379 1.00 0.00 O ATOM 1132 CB TRP A 79 -13.010 3.607 -0.030 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.624 4.098 0.395 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.325 5.052 1.287 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.354 3.617 -0.093 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.961 5.221 1.409 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.352 4.321 0.543 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -10.062 2.621 -1.041 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.990 4.103 0.301 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.697 2.415 -1.272 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.675 3.115 -0.640 1.00 0.00 C ATOM 0 H TRP A 79 -13.292 2.919 2.345 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.980 5.189 0.959 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -13.017 2.517 -0.021 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.195 3.918 -1.058 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.059 5.618 1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.487 5.884 2.022 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.830 2.059 -1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.224 4.667 0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.418 1.659 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.643 2.898 -0.874 1.00 0.00 H new ATOM 1152 N PRO A 80 -16.024 4.958 -0.460 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.326 4.891 -1.102 1.00 0.00 C ATOM 1154 C PRO A 80 -17.267 4.042 -2.373 1.00 0.00 C ATOM 1155 O PRO A 80 -16.187 3.776 -2.897 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.705 6.338 -1.371 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.410 7.130 -1.296 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.358 6.243 -0.651 1.00 0.00 C ATOM 0 HA PRO A 80 -18.078 4.405 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.171 6.444 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.425 6.696 -0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.092 7.437 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.552 8.040 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.479 6.143 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.018 6.658 0.298 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.443 3.639 -2.832 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.540 2.825 -4.031 1.00 0.00 C ATOM 1168 C VAL A 81 -18.521 3.734 -5.262 1.00 0.00 C ATOM 1169 O VAL A 81 -19.394 4.585 -5.422 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.784 1.937 -3.962 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -21.060 2.769 -4.105 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.728 0.832 -5.020 1.00 0.00 C ATOM 0 H VAL A 81 -19.337 3.861 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.684 2.155 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.803 1.461 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.929 2.114 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -21.109 3.502 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -21.052 3.285 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.624 0.215 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.673 1.280 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.847 0.213 -4.853 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.517 3.522 -6.100 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.373 4.311 -7.311 1.00 0.00 C ATOM 1184 C GLY A 82 -15.953 4.864 -7.440 1.00 0.00 C ATOM 1185 O GLY A 82 -15.345 4.780 -8.506 1.00 0.00 O ATOM 0 H GLY A 82 -16.795 2.815 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.608 3.696 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.088 5.134 -7.300 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.464 5.416 -6.340 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.126 5.982 -6.316 1.00 0.00 C ATOM 1191 C GLY A 83 -13.074 4.894 -6.096 1.00 0.00 C ATOM 1192 O GLY A 83 -12.999 4.308 -5.017 1.00 0.00 O ATOM 0 H GLY A 83 -15.971 5.484 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.929 6.499 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.056 6.726 -5.522 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.288 4.656 -7.136 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.244 3.648 -7.069 1.00 0.00 C ATOM 1198 C ASP A 84 -10.066 4.193 -6.258 1.00 0.00 C ATOM 1199 O ASP A 84 -8.943 4.258 -6.755 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.731 3.293 -8.466 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.560 2.245 -9.212 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.408 1.613 -8.546 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.328 2.101 -10.432 1.00 0.00 O ATOM 0 H ASP A 84 -12.353 5.144 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.665 2.758 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.697 4.202 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.707 2.930 -8.379 1.00 0.00 H new ATOM 1208 N SER A 85 -10.363 4.571 -5.024 1.00 0.00 N ATOM 1209 CA SER A 85 -9.343 5.108 -4.139 1.00 0.00 C ATOM 1210 C SER A 85 -8.224 4.083 -3.948 1.00 0.00 C ATOM 1211 O SER A 85 -8.482 2.882 -3.878 1.00 0.00 O ATOM 1212 CB SER A 85 -9.939 5.501 -2.786 1.00 0.00 C ATOM 1213 OG SER A 85 -11.009 6.432 -2.924 1.00 0.00 O ATOM 0 H SER A 85 -11.296 4.516 -4.615 1.00 0.00 H new ATOM 0 HA SER A 85 -8.930 6.006 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.299 4.608 -2.275 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.160 5.934 -2.159 1.00 0.00 H new ATOM 0 HG SER A 85 -10.647 7.341 -2.978 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.004 4.594 -3.871 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.844 3.738 -3.690 1.00 0.00 C ATOM 1221 C ARG A 86 -4.948 4.286 -2.577 1.00 0.00 C ATOM 1222 O ARG A 86 -5.178 5.385 -2.075 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.031 3.631 -4.982 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.180 4.883 -5.200 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.772 5.020 -6.668 1.00 0.00 C ATOM 1226 NE ARG A 86 -2.398 5.560 -6.764 1.00 0.00 N ATOM 1227 CZ ARG A 86 -1.767 5.809 -7.920 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -2.384 5.567 -9.085 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -0.520 6.299 -7.910 1.00 0.00 N ATOM 0 H ARG A 86 -6.794 5.590 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.204 2.746 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.387 2.752 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.704 3.492 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.740 5.766 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.289 4.835 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.825 4.049 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.468 5.679 -7.187 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.899 5.755 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.333 5.194 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.904 5.756 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.051 6.482 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.039 6.489 -8.790 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.946 3.494 -2.223 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.016 3.886 -1.179 1.00 0.00 C ATOM 1245 C PHE A 87 -1.646 4.231 -1.766 1.00 0.00 C ATOM 1246 O PHE A 87 -0.956 3.361 -2.296 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.867 2.688 -0.239 1.00 0.00 C ATOM 1248 CG PHE A 87 -4.004 2.549 0.776 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.137 3.460 1.777 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.880 1.514 0.677 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.192 3.330 2.718 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.935 1.384 1.618 1.00 0.00 C ATOM 1253 CZ PHE A 87 -6.069 2.295 2.619 1.00 0.00 C ATOM 0 H PHE A 87 -3.759 2.583 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.391 4.767 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.812 1.777 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.923 2.776 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.441 4.282 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.773 0.791 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.298 4.053 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.631 0.562 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.872 2.197 3.335 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.292 5.503 -1.653 1.00 0.00 N ATOM 1264 CA VAL A 88 -0.017 5.974 -2.167 1.00 0.00 C ATOM 1265 C VAL A 88 0.982 6.089 -1.013 1.00 0.00 C ATOM 1266 O VAL A 88 0.674 6.677 0.022 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.211 7.290 -2.923 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.136 7.934 -3.257 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.046 7.078 -4.187 1.00 0.00 C ATOM 0 H VAL A 88 -1.866 6.222 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 88 0.393 5.261 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.757 7.973 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.970 8.868 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.680 8.138 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.719 7.256 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.169 8.029 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.540 6.370 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.025 6.684 -3.914 1.00 0.00 H new ATOM 1279 N PHE A 89 2.157 5.517 -1.231 1.00 0.00 N ATOM 1280 CA PHE A 89 3.202 5.549 -0.222 1.00 0.00 C ATOM 1281 C PHE A 89 4.112 6.764 -0.412 1.00 0.00 C ATOM 1282 O PHE A 89 4.757 6.905 -1.450 1.00 0.00 O ATOM 1283 CB PHE A 89 4.031 4.274 -0.397 1.00 0.00 C ATOM 1284 CG PHE A 89 4.794 3.851 0.860 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.165 3.836 2.065 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.102 3.490 0.771 1.00 0.00 C ATOM 1287 CE1 PHE A 89 4.873 3.443 3.232 1.00 0.00 C ATOM 1288 CE2 PHE A 89 6.811 3.097 1.938 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.182 3.082 3.143 1.00 0.00 C ATOM 0 H PHE A 89 2.408 5.029 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 89 2.758 5.614 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.370 3.462 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.743 4.424 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.126 4.123 2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.602 3.502 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.373 3.431 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.850 2.810 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.721 2.784 4.030 1.00 0.00 H new ATOM 1299 N ARG A 90 4.135 7.611 0.606 1.00 0.00 N ATOM 1300 CA ARG A 90 4.955 8.810 0.564 1.00 0.00 C ATOM 1301 C ARG A 90 5.467 9.152 1.965 1.00 0.00 C ATOM 1302 O ARG A 90 4.776 8.922 2.956 1.00 0.00 O ATOM 1303 CB ARG A 90 4.165 9.998 0.013 1.00 0.00 C ATOM 1304 CG ARG A 90 2.797 10.109 0.688 1.00 0.00 C ATOM 1305 CD ARG A 90 1.732 10.581 -0.303 1.00 0.00 C ATOM 1306 NE ARG A 90 2.258 11.698 -1.118 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.612 12.237 -2.161 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.412 11.765 -2.522 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.167 13.249 -2.842 1.00 0.00 N ATOM 0 H ARG A 90 3.599 7.491 1.465 1.00 0.00 H new ATOM 0 HA ARG A 90 5.799 8.612 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.728 10.918 0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.035 9.885 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.512 9.141 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.856 10.806 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.435 9.756 -0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.840 10.901 0.235 1.00 0.00 H new ATOM 0 HE ARG A 90 3.170 12.082 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.010 10.995 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.080 12.175 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.081 13.609 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.676 13.660 -3.636 1.00 0.00 H new ATOM 1323 N LYS A 91 6.674 9.697 2.002 1.00 0.00 N ATOM 1324 CA LYS A 91 7.286 10.074 3.265 1.00 0.00 C ATOM 1325 C LYS A 91 7.098 11.575 3.490 1.00 0.00 C ATOM 1326 O LYS A 91 7.167 12.050 4.623 1.00 0.00 O ATOM 1327 CB LYS A 91 8.748 9.625 3.306 1.00 0.00 C ATOM 1328 CG LYS A 91 9.635 10.570 2.493 1.00 0.00 C ATOM 1329 CD LYS A 91 10.813 9.817 1.872 1.00 0.00 C ATOM 1330 CE LYS A 91 11.885 9.514 2.921 1.00 0.00 C ATOM 1331 NZ LYS A 91 13.170 10.146 2.546 1.00 0.00 N ATOM 0 H LYS A 91 7.245 9.887 1.178 1.00 0.00 H new ATOM 0 HA LYS A 91 6.795 9.563 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.094 9.595 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.832 8.612 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.045 11.042 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.007 11.368 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.461 8.886 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.245 10.411 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.563 9.881 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.017 8.436 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.887 9.931 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.483 9.776 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.044 11.176 2.480 1.00 0.00 H new ATOM 1345 N ASN A 92 6.862 12.281 2.394 1.00 0.00 N ATOM 1346 CA ASN A 92 6.663 13.719 2.458 1.00 0.00 C ATOM 1347 C ASN A 92 5.303 14.069 1.851 1.00 0.00 C ATOM 1348 O ASN A 92 5.182 14.221 0.636 1.00 0.00 O ATOM 1349 CB ASN A 92 7.740 14.460 1.664 1.00 0.00 C ATOM 1350 CG ASN A 92 9.027 14.597 2.480 1.00 0.00 C ATOM 1351 OD1 ASN A 92 9.072 14.322 3.667 1.00 0.00 O ATOM 1352 ND2 ASN A 92 10.068 15.035 1.778 1.00 0.00 N ATOM 0 H ASN A 92 6.804 11.884 1.456 1.00 0.00 H new ATOM 0 HA ASN A 92 6.715 14.020 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.948 13.924 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.375 15.449 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.973 15.159 2.232 1.00 0.00 H new ATOM 0 HD22 ASN A 92 9.961 15.247 0.786 1.00 0.00 H new ATOM 1359 N PHE A 93 4.313 14.186 2.724 1.00 0.00 N ATOM 1360 CA PHE A 93 2.966 14.515 2.289 1.00 0.00 C ATOM 1361 C PHE A 93 2.243 15.361 3.338 1.00 0.00 C ATOM 1362 O PHE A 93 1.707 16.423 3.022 1.00 0.00 O ATOM 1363 CB PHE A 93 2.218 13.192 2.114 1.00 0.00 C ATOM 1364 CG PHE A 93 0.697 13.319 2.223 1.00 0.00 C ATOM 1365 CD1 PHE A 93 -0.032 13.709 1.143 1.00 0.00 C ATOM 1366 CD2 PHE A 93 0.074 13.041 3.399 1.00 0.00 C ATOM 1367 CE1 PHE A 93 -1.444 13.827 1.244 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -1.338 13.158 3.500 1.00 0.00 C ATOM 1369 CZ PHE A 93 -2.067 13.549 2.421 1.00 0.00 C ATOM 0 H PHE A 93 4.417 14.059 3.731 1.00 0.00 H new ATOM 0 HA PHE A 93 3.003 15.088 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.468 12.771 1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.568 12.486 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.463 13.929 0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.653 12.731 4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.023 14.137 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.833 12.936 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.140 13.639 2.498 1.00 0.00 H new ATOM 1379 N ALA A 94 2.251 14.860 4.565 1.00 0.00 N ATOM 1380 CA ALA A 94 1.602 15.558 5.662 1.00 0.00 C ATOM 1381 C ALA A 94 1.992 14.894 6.984 1.00 0.00 C ATOM 1382 O ALA A 94 2.423 15.568 7.918 1.00 0.00 O ATOM 1383 CB ALA A 94 0.088 15.566 5.438 1.00 0.00 C ATOM 0 H ALA A 94 2.696 13.980 4.823 1.00 0.00 H new ATOM 0 HA ALA A 94 1.931 16.596 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.399 16.090 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.138 16.074 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.279 14.540 5.393 1.00 0.00 H new ATOM 1389 N SER A 95 1.827 13.579 7.021 1.00 0.00 N ATOM 1390 CA SER A 95 2.156 12.817 8.213 1.00 0.00 C ATOM 1391 C SER A 95 3.648 12.477 8.221 1.00 0.00 C ATOM 1392 O SER A 95 4.036 11.364 7.872 1.00 0.00 O ATOM 1393 CB SER A 95 1.320 11.538 8.297 1.00 0.00 C ATOM 1394 OG SER A 95 0.077 11.756 8.960 1.00 0.00 O ATOM 0 H SER A 95 1.470 13.023 6.244 1.00 0.00 H new ATOM 0 HA SER A 95 1.924 13.429 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.133 11.160 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.884 10.770 8.827 1.00 0.00 H new ATOM 0 HG SER A 95 -0.428 10.917 8.992 1.00 0.00 H new ATOM 1400 N GLY A 96 4.443 13.457 8.624 1.00 0.00 N ATOM 1401 CA GLY A 96 5.884 13.276 8.682 1.00 0.00 C ATOM 1402 C GLY A 96 6.562 14.482 9.335 1.00 0.00 C ATOM 1403 O GLY A 96 6.749 14.512 10.550 1.00 0.00 O ATOM 0 H GLY A 96 4.117 14.379 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.118 12.373 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.277 13.134 7.675 1.00 0.00 H new ATOM 1407 N PRO A 97 6.922 15.473 8.476 1.00 0.00 N ATOM 1408 CA PRO A 97 7.575 16.679 8.956 1.00 0.00 C ATOM 1409 C PRO A 97 6.577 17.602 9.658 1.00 0.00 C ATOM 1410 O PRO A 97 5.993 18.483 9.029 1.00 0.00 O ATOM 1411 CB PRO A 97 8.198 17.308 7.721 1.00 0.00 C ATOM 1412 CG PRO A 97 7.483 16.687 6.532 1.00 0.00 C ATOM 1413 CD PRO A 97 6.716 15.473 7.031 1.00 0.00 C ATOM 0 HA PRO A 97 8.336 16.473 9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.074 18.391 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.269 17.110 7.680 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.803 17.407 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.200 16.396 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.657 15.544 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.089 14.555 6.578 1.00 0.00 H new ATOM 1421 N SER A 98 6.411 17.368 10.952 1.00 0.00 N ATOM 1422 CA SER A 98 5.494 18.167 11.745 1.00 0.00 C ATOM 1423 C SER A 98 4.074 18.042 11.188 1.00 0.00 C ATOM 1424 O SER A 98 3.815 18.424 10.048 1.00 0.00 O ATOM 1425 CB SER A 98 5.925 19.634 11.775 1.00 0.00 C ATOM 1426 OG SER A 98 5.320 20.347 12.850 1.00 0.00 O ATOM 0 H SER A 98 6.897 16.636 11.470 1.00 0.00 H new ATOM 0 HA SER A 98 5.511 17.791 12.768 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.010 19.691 11.867 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.660 20.109 10.830 1.00 0.00 H new ATOM 0 HG SER A 98 5.622 21.279 12.835 1.00 0.00 H new ATOM 1432 N SER A 99 3.192 17.505 12.018 1.00 0.00 N ATOM 1433 CA SER A 99 1.805 17.325 11.623 1.00 0.00 C ATOM 1434 C SER A 99 0.920 18.346 12.340 1.00 0.00 C ATOM 1435 O SER A 99 0.441 18.091 13.444 1.00 0.00 O ATOM 1436 CB SER A 99 1.327 15.903 11.924 1.00 0.00 C ATOM 1437 OG SER A 99 1.070 15.163 10.733 1.00 0.00 O ATOM 0 H SER A 99 3.411 17.189 12.963 1.00 0.00 H new ATOM 0 HA SER A 99 1.732 17.483 10.547 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.081 15.385 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.420 15.945 12.527 1.00 0.00 H new ATOM 0 HG SER A 99 1.719 15.417 10.044 1.00 0.00 H new ATOM 1443 N GLY A 100 0.728 19.480 11.683 1.00 0.00 N ATOM 1444 CA GLY A 100 -0.092 20.541 12.244 1.00 0.00 C ATOM 1445 C GLY A 100 0.485 21.917 11.905 1.00 0.00 C ATOM 1446 O GLY A 100 1.693 22.061 11.729 1.00 0.00 O ATOM 0 H GLY A 100 1.126 19.688 10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.108 20.463 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.153 20.425 13.326 1.00 0.00 H new TER 1450 GLY A 100