USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 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 24 ASN : amide:sc= 0 K(o=0.74,f=0.051) USER MOD Set 1.2: A 28 ASN : amide:sc= 0.736 K(o=0.74,f=0.051) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.1!) USER MOD Single : A 16 THR OG1 : rot -130:sc= -0.774 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.043) USER MOD Single : A 34 HIS : no HD1:sc= -5.14 K(o=-5.1,f=-6.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0476 X(o=-0.048,f=-0.31) USER MOD Single : A 39 TYR OH : rot 150:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.125) USER MOD Single : A 49 TYR OH : rot -15:sc= -0.94 USER MOD Single : A 51 HIS : no HD1:sc= -3.58 K(o=-3.6,f=-4.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -0.0366 (180deg=-0.579) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.0274 (180deg=-0.672) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.015 (180deg=-0.313) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= -0.253 (180deg=-0.908) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00466) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 1.980 -25.263 -14.826 1.00 0.00 N ATOM 2 CA SER A 2 3.078 -24.811 -13.922 1.00 0.00 C ATOM 3 C SER A 2 3.946 -23.782 -14.649 1.00 0.00 C ATOM 4 O SER A 2 5.139 -23.698 -14.429 1.00 0.00 O ATOM 5 CB SER A 2 3.937 -26.011 -13.523 1.00 0.00 C ATOM 6 OG SER A 2 3.443 -26.560 -12.309 1.00 0.00 O ATOM 0 HA SER A 2 2.649 -24.358 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.918 -26.764 -14.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.976 -25.704 -13.401 1.00 0.00 H new ATOM 0 HG SER A 2 3.991 -27.331 -12.052 1.00 0.00 H new ATOM 12 N LYS A 3 3.353 -22.999 -15.514 1.00 0.00 N ATOM 13 CA LYS A 3 4.134 -21.971 -16.261 1.00 0.00 C ATOM 14 C LYS A 3 3.905 -20.597 -15.630 1.00 0.00 C ATOM 15 O LYS A 3 2.788 -20.226 -15.319 1.00 0.00 O ATOM 16 CB LYS A 3 3.676 -21.943 -17.721 1.00 0.00 C ATOM 17 CG LYS A 3 4.709 -21.199 -18.568 1.00 0.00 C ATOM 18 CD LYS A 3 4.249 -21.167 -20.026 1.00 0.00 C ATOM 19 CE LYS A 3 5.115 -20.182 -20.814 1.00 0.00 C ATOM 20 NZ LYS A 3 4.790 -20.286 -22.265 1.00 0.00 N ATOM 0 H LYS A 3 2.358 -23.029 -15.735 1.00 0.00 H new ATOM 0 HA LYS A 3 5.194 -22.219 -16.217 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.550 -22.960 -18.093 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.706 -21.453 -17.799 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.837 -20.183 -18.194 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.679 -21.691 -18.493 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.323 -22.163 -20.463 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.201 -20.871 -20.081 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.939 -19.165 -20.463 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.171 -20.398 -20.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.378 -19.617 -22.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.979 -21.254 -22.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.786 -20.060 -22.413 1.00 0.00 H new ATOM 34 N ARG A 4 4.956 -19.840 -15.439 1.00 0.00 N ATOM 35 CA ARG A 4 4.810 -18.487 -14.827 1.00 0.00 C ATOM 36 C ARG A 4 3.981 -17.595 -15.753 1.00 0.00 C ATOM 37 O ARG A 4 3.976 -17.772 -16.957 1.00 0.00 O ATOM 38 CB ARG A 4 6.195 -17.866 -14.626 1.00 0.00 C ATOM 39 CG ARG A 4 6.960 -17.881 -15.951 1.00 0.00 C ATOM 40 CD ARG A 4 7.927 -16.697 -15.995 1.00 0.00 C ATOM 41 NE ARG A 4 7.242 -15.515 -16.605 1.00 0.00 N ATOM 42 CZ ARG A 4 7.907 -14.419 -16.915 1.00 0.00 C ATOM 43 NH1 ARG A 4 9.199 -14.315 -16.704 1.00 0.00 N ATOM 44 NH2 ARG A 4 7.264 -13.414 -17.446 1.00 0.00 N ATOM 0 H ARG A 4 5.911 -20.103 -15.682 1.00 0.00 H new ATOM 0 HA ARG A 4 4.308 -18.576 -13.864 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.097 -16.843 -14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.748 -18.422 -13.869 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.509 -18.817 -16.056 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.262 -17.826 -16.787 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.267 -16.454 -14.988 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.812 -16.958 -16.576 1.00 0.00 H new ATOM 0 HE ARG A 4 6.239 -15.558 -16.785 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.713 -15.093 -16.291 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.689 -13.456 -16.953 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.261 -13.483 -17.616 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.765 -12.560 -17.691 1.00 0.00 H new ATOM 58 N LYS A 5 3.282 -16.637 -15.199 1.00 0.00 N ATOM 59 CA LYS A 5 2.448 -15.728 -16.038 1.00 0.00 C ATOM 60 C LYS A 5 2.786 -14.273 -15.704 1.00 0.00 C ATOM 61 O LYS A 5 3.651 -14.000 -14.893 1.00 0.00 O ATOM 62 CB LYS A 5 0.967 -15.986 -15.755 1.00 0.00 C ATOM 63 CG LYS A 5 0.530 -17.274 -16.455 1.00 0.00 C ATOM 64 CD LYS A 5 -0.023 -16.939 -17.842 1.00 0.00 C ATOM 65 CE LYS A 5 1.128 -16.863 -18.847 1.00 0.00 C ATOM 66 NZ LYS A 5 0.642 -17.287 -20.191 1.00 0.00 N ATOM 0 H LYS A 5 3.254 -16.446 -14.197 1.00 0.00 H new ATOM 0 HA LYS A 5 2.654 -15.916 -17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.800 -16.069 -14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.367 -15.147 -16.107 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.375 -17.957 -16.544 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.230 -17.783 -15.862 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.741 -17.699 -18.152 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.557 -15.989 -17.812 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.518 -15.846 -18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.948 -17.505 -18.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.424 -17.236 -20.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.290 -18.264 -20.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.127 -16.657 -20.497 1.00 0.00 H new ATOM 80 N ALA A 6 2.108 -13.341 -16.324 1.00 0.00 N ATOM 81 CA ALA A 6 2.381 -11.900 -16.049 1.00 0.00 C ATOM 82 C ALA A 6 1.609 -11.461 -14.795 1.00 0.00 C ATOM 83 O ALA A 6 0.739 -12.175 -14.335 1.00 0.00 O ATOM 84 CB ALA A 6 1.930 -11.059 -17.245 1.00 0.00 C ATOM 0 H ALA A 6 1.375 -13.518 -17.011 1.00 0.00 H new ATOM 0 HA ALA A 6 3.449 -11.758 -15.886 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.129 -10.006 -17.045 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.477 -11.369 -18.135 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.862 -11.202 -17.408 1.00 0.00 H new ATOM 90 N PRO A 7 1.942 -10.297 -14.269 1.00 0.00 N ATOM 91 CA PRO A 7 1.289 -9.725 -13.051 1.00 0.00 C ATOM 92 C PRO A 7 0.034 -8.937 -13.434 1.00 0.00 C ATOM 93 O PRO A 7 0.010 -8.241 -14.433 1.00 0.00 O ATOM 94 CB PRO A 7 2.358 -8.802 -12.484 1.00 0.00 C ATOM 95 CG PRO A 7 3.272 -8.408 -13.633 1.00 0.00 C ATOM 96 CD PRO A 7 3.008 -9.372 -14.794 1.00 0.00 C ATOM 0 HA PRO A 7 0.961 -10.484 -12.340 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.904 -7.919 -12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.923 -9.305 -11.699 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.079 -7.380 -13.939 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.316 -8.458 -13.325 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.672 -8.841 -15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.909 -9.919 -15.071 1.00 0.00 H new ATOM 104 N GLN A 8 -1.007 -9.043 -12.648 1.00 0.00 N ATOM 105 CA GLN A 8 -2.266 -8.305 -12.959 1.00 0.00 C ATOM 106 C GLN A 8 -2.203 -6.906 -12.340 1.00 0.00 C ATOM 107 O GLN A 8 -2.733 -6.666 -11.271 1.00 0.00 O ATOM 108 CB GLN A 8 -3.460 -9.067 -12.381 1.00 0.00 C ATOM 109 CG GLN A 8 -4.689 -8.836 -13.262 1.00 0.00 C ATOM 110 CD GLN A 8 -5.898 -9.546 -12.650 1.00 0.00 C ATOM 111 OE1 GLN A 8 -6.837 -8.908 -12.216 1.00 0.00 O ATOM 112 NE2 GLN A 8 -5.915 -10.851 -12.599 1.00 0.00 N ATOM 0 H GLN A 8 -1.038 -9.611 -11.802 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.380 -8.219 -14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.233 -10.132 -12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.661 -8.732 -11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.889 -7.768 -13.353 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.504 -9.212 -14.268 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.127 -11.386 -12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.717 -11.335 -12.195 1.00 0.00 H new ATOM 121 N GLU A 9 -1.556 -5.984 -13.006 1.00 0.00 N ATOM 122 CA GLU A 9 -1.452 -4.597 -12.466 1.00 0.00 C ATOM 123 C GLU A 9 -2.393 -3.675 -13.246 1.00 0.00 C ATOM 124 O GLU A 9 -1.981 -2.981 -14.157 1.00 0.00 O ATOM 125 CB GLU A 9 -0.012 -4.100 -12.613 1.00 0.00 C ATOM 126 CG GLU A 9 0.861 -4.735 -11.529 1.00 0.00 C ATOM 127 CD GLU A 9 2.331 -4.654 -11.944 1.00 0.00 C ATOM 128 OE1 GLU A 9 2.768 -3.570 -12.295 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.996 -5.677 -11.903 1.00 0.00 O ATOM 0 H GLU A 9 -1.094 -6.134 -13.903 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.731 -4.594 -11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.373 -4.355 -13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.019 -3.014 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.711 -4.221 -10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.572 -5.775 -11.377 1.00 0.00 H new ATOM 136 N THR A 10 -3.653 -3.666 -12.894 1.00 0.00 N ATOM 137 CA THR A 10 -4.630 -2.794 -13.609 1.00 0.00 C ATOM 138 C THR A 10 -5.441 -1.989 -12.590 1.00 0.00 C ATOM 139 O THR A 10 -5.659 -0.803 -12.758 1.00 0.00 O ATOM 140 CB THR A 10 -5.577 -3.664 -14.440 1.00 0.00 C ATOM 141 OG1 THR A 10 -6.069 -4.726 -13.636 1.00 0.00 O ATOM 142 CG2 THR A 10 -4.824 -4.237 -15.641 1.00 0.00 C ATOM 0 H THR A 10 -4.048 -4.227 -12.139 1.00 0.00 H new ATOM 0 HA THR A 10 -4.092 -2.110 -14.266 1.00 0.00 H new ATOM 0 HB THR A 10 -6.412 -3.059 -14.793 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.677 -5.283 -14.166 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.499 -4.856 -16.232 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.447 -3.421 -16.257 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.988 -4.843 -15.291 1.00 0.00 H new ATOM 150 N LEU A 11 -5.889 -2.625 -11.538 1.00 0.00 N ATOM 151 CA LEU A 11 -6.688 -1.904 -10.504 1.00 0.00 C ATOM 152 C LEU A 11 -5.745 -1.214 -9.516 1.00 0.00 C ATOM 153 O LEU A 11 -5.631 -0.002 -9.500 1.00 0.00 O ATOM 154 CB LEU A 11 -7.574 -2.903 -9.754 1.00 0.00 C ATOM 155 CG LEU A 11 -8.551 -3.558 -10.733 1.00 0.00 C ATOM 156 CD1 LEU A 11 -9.177 -4.791 -10.080 1.00 0.00 C ATOM 157 CD2 LEU A 11 -9.655 -2.561 -11.097 1.00 0.00 C ATOM 0 H LEU A 11 -5.735 -3.616 -11.351 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.315 -1.155 -10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.957 -3.664 -9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.123 -2.394 -8.962 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.016 -3.855 -11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.873 -5.258 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.393 -5.502 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.712 -4.493 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.351 -3.027 -11.794 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.190 -2.265 -10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.211 -1.680 -11.562 1.00 0.00 H new ATOM 169 N ASN A 12 -5.072 -1.977 -8.692 1.00 0.00 N ATOM 170 CA ASN A 12 -4.135 -1.372 -7.700 1.00 0.00 C ATOM 171 C ASN A 12 -3.009 -2.361 -7.391 1.00 0.00 C ATOM 172 O ASN A 12 -2.531 -2.441 -6.276 1.00 0.00 O ATOM 173 CB ASN A 12 -4.895 -1.044 -6.411 1.00 0.00 C ATOM 174 CG ASN A 12 -5.641 -2.289 -5.923 1.00 0.00 C ATOM 175 OD1 ASN A 12 -5.105 -3.379 -5.943 1.00 0.00 O ATOM 176 ND2 ASN A 12 -6.863 -2.171 -5.482 1.00 0.00 N ATOM 0 H ASN A 12 -5.132 -2.995 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.711 -0.457 -8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.200 -0.700 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.600 -0.232 -6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.368 -2.994 -5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.313 -1.256 -5.465 1.00 0.00 H new ATOM 183 N GLY A 13 -2.585 -3.113 -8.374 1.00 0.00 N ATOM 184 CA GLY A 13 -1.490 -4.102 -8.149 1.00 0.00 C ATOM 185 C GLY A 13 -0.116 -3.447 -8.368 1.00 0.00 C ATOM 186 O GLY A 13 0.905 -4.093 -8.224 1.00 0.00 O ATOM 0 H GLY A 13 -2.952 -3.084 -9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.553 -4.498 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.609 -4.946 -8.829 1.00 0.00 H new ATOM 190 N GLY A 14 -0.075 -2.178 -8.704 1.00 0.00 N ATOM 191 CA GLY A 14 1.237 -1.500 -8.917 1.00 0.00 C ATOM 192 C GLY A 14 1.694 -0.893 -7.595 1.00 0.00 C ATOM 193 O GLY A 14 2.871 -0.854 -7.286 1.00 0.00 O ATOM 0 H GLY A 14 -0.895 -1.586 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.976 -2.214 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.142 -0.724 -9.676 1.00 0.00 H new ATOM 197 N ILE A 15 0.759 -0.423 -6.812 1.00 0.00 N ATOM 198 CA ILE A 15 1.106 0.185 -5.498 1.00 0.00 C ATOM 199 C ILE A 15 1.704 -0.891 -4.594 1.00 0.00 C ATOM 200 O ILE A 15 2.726 -0.692 -3.967 1.00 0.00 O ATOM 201 CB ILE A 15 -0.157 0.755 -4.836 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.977 1.562 -5.864 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.243 1.662 -3.663 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.332 0.884 -6.088 1.00 0.00 C ATOM 0 H ILE A 15 -0.237 -0.435 -7.030 1.00 0.00 H new ATOM 0 HA ILE A 15 1.826 0.989 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.768 -0.068 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.124 2.581 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.433 1.629 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.654 2.066 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.806 1.083 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.861 2.481 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.909 1.456 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.175 -0.127 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.877 0.840 -5.145 1.00 0.00 H new ATOM 216 N THR A 16 1.070 -2.038 -4.525 1.00 0.00 N ATOM 217 CA THR A 16 1.588 -3.143 -3.662 1.00 0.00 C ATOM 218 C THR A 16 3.027 -3.484 -4.061 1.00 0.00 C ATOM 219 O THR A 16 3.831 -3.881 -3.240 1.00 0.00 O ATOM 220 CB THR A 16 0.703 -4.382 -3.828 1.00 0.00 C ATOM 221 OG1 THR A 16 1.255 -5.459 -3.085 1.00 0.00 O ATOM 222 CG2 THR A 16 0.625 -4.768 -5.307 1.00 0.00 C ATOM 0 H THR A 16 0.212 -2.255 -5.032 1.00 0.00 H new ATOM 0 HA THR A 16 1.571 -2.821 -2.621 1.00 0.00 H new ATOM 0 HB THR A 16 -0.299 -4.161 -3.461 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.315 -6.253 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.006 -5.650 -5.420 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.199 -3.942 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.626 -4.987 -5.679 1.00 0.00 H new ATOM 230 N ASP A 17 3.354 -3.325 -5.318 1.00 0.00 N ATOM 231 CA ASP A 17 4.740 -3.629 -5.781 1.00 0.00 C ATOM 232 C ASP A 17 5.723 -2.657 -5.123 1.00 0.00 C ATOM 233 O ASP A 17 6.877 -2.980 -4.910 1.00 0.00 O ATOM 234 CB ASP A 17 4.814 -3.477 -7.302 1.00 0.00 C ATOM 235 CG ASP A 17 5.972 -4.318 -7.843 1.00 0.00 C ATOM 236 OD1 ASP A 17 7.014 -4.334 -7.209 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.796 -4.933 -8.882 1.00 0.00 O ATOM 0 H ASP A 17 2.718 -2.997 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 17 5.000 -4.651 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.876 -3.796 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.957 -2.429 -7.567 1.00 0.00 H new ATOM 242 N MET A 18 5.273 -1.470 -4.793 1.00 0.00 N ATOM 243 CA MET A 18 6.174 -0.473 -4.144 1.00 0.00 C ATOM 244 C MET A 18 6.111 -0.633 -2.621 1.00 0.00 C ATOM 245 O MET A 18 7.013 -0.223 -1.911 1.00 0.00 O ATOM 246 CB MET A 18 5.730 0.940 -4.527 1.00 0.00 C ATOM 247 CG MET A 18 6.410 1.351 -5.835 1.00 0.00 C ATOM 248 SD MET A 18 8.063 1.995 -5.478 1.00 0.00 S ATOM 249 CE MET A 18 8.934 1.136 -6.811 1.00 0.00 C ATOM 0 H MET A 18 4.317 -1.150 -4.947 1.00 0.00 H new ATOM 0 HA MET A 18 7.197 -0.638 -4.481 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.647 0.974 -4.642 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.989 1.642 -3.734 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.479 0.495 -6.506 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.815 2.109 -6.344 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.993 1.394 -6.779 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.819 0.059 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.516 1.437 -7.772 1.00 0.00 H new ATOM 259 N LEU A 19 5.061 -1.234 -2.113 1.00 0.00 N ATOM 260 CA LEU A 19 4.945 -1.430 -0.641 1.00 0.00 C ATOM 261 C LEU A 19 5.675 -2.715 -0.267 1.00 0.00 C ATOM 262 O LEU A 19 6.265 -2.827 0.790 1.00 0.00 O ATOM 263 CB LEU A 19 3.467 -1.549 -0.256 1.00 0.00 C ATOM 264 CG LEU A 19 2.811 -0.156 -0.253 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.863 -0.017 -1.452 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.020 0.033 1.048 1.00 0.00 C ATOM 0 H LEU A 19 4.280 -1.597 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 19 5.383 -0.583 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.951 -2.202 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.375 -2.006 0.729 1.00 0.00 H new ATOM 0 HG LEU A 19 3.589 0.604 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.404 0.972 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.425 -0.145 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.085 -0.778 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.555 1.019 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.247 -0.733 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.695 -0.053 1.900 1.00 0.00 H new ATOM 278 N VAL A 20 5.639 -3.683 -1.143 1.00 0.00 N ATOM 279 CA VAL A 20 6.325 -4.973 -0.878 1.00 0.00 C ATOM 280 C VAL A 20 7.831 -4.790 -1.085 1.00 0.00 C ATOM 281 O VAL A 20 8.638 -5.408 -0.417 1.00 0.00 O ATOM 282 CB VAL A 20 5.791 -6.026 -1.852 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.432 -7.377 -1.552 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.273 -6.142 -1.696 1.00 0.00 C ATOM 0 H VAL A 20 5.157 -3.631 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 20 6.139 -5.297 0.146 1.00 0.00 H new ATOM 0 HB VAL A 20 6.034 -5.728 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.049 -8.124 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.514 -7.299 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.192 -7.675 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.892 -6.892 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.034 -6.438 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.810 -5.179 -1.913 1.00 0.00 H new ATOM 294 N GLU A 21 8.210 -3.941 -2.007 1.00 0.00 N ATOM 295 CA GLU A 21 9.661 -3.707 -2.268 1.00 0.00 C ATOM 296 C GLU A 21 10.300 -3.041 -1.048 1.00 0.00 C ATOM 297 O GLU A 21 11.191 -3.593 -0.426 1.00 0.00 O ATOM 298 CB GLU A 21 9.821 -2.798 -3.488 1.00 0.00 C ATOM 299 CG GLU A 21 9.628 -3.617 -4.765 1.00 0.00 C ATOM 300 CD GLU A 21 10.973 -4.197 -5.208 1.00 0.00 C ATOM 301 OE1 GLU A 21 11.337 -5.248 -4.708 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.617 -3.579 -6.040 1.00 0.00 O ATOM 0 H GLU A 21 7.574 -3.399 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 21 10.153 -4.661 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.092 -1.988 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.809 -2.338 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.913 -4.421 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.214 -2.989 -5.553 1.00 0.00 H new ATOM 309 N LEU A 22 9.852 -1.858 -0.697 1.00 0.00 N ATOM 310 CA LEU A 22 10.439 -1.161 0.485 1.00 0.00 C ATOM 311 C LEU A 22 10.179 -1.996 1.744 1.00 0.00 C ATOM 312 O LEU A 22 10.971 -2.005 2.667 1.00 0.00 O ATOM 313 CB LEU A 22 9.818 0.242 0.629 1.00 0.00 C ATOM 314 CG LEU A 22 8.328 0.143 0.984 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.163 0.045 2.509 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.602 1.390 0.472 1.00 0.00 C ATOM 0 H LEU A 22 9.109 -1.350 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 22 11.514 -1.048 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.345 0.800 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.939 0.796 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 22 7.903 -0.746 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.104 -0.025 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.681 -0.842 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.587 0.932 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.543 1.323 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.030 2.277 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.715 1.458 -0.610 1.00 0.00 H new ATOM 328 N ALA A 23 9.072 -2.702 1.783 1.00 0.00 N ATOM 329 CA ALA A 23 8.742 -3.548 2.975 1.00 0.00 C ATOM 330 C ALA A 23 9.921 -4.472 3.294 1.00 0.00 C ATOM 331 O ALA A 23 10.335 -4.594 4.431 1.00 0.00 O ATOM 332 CB ALA A 23 7.504 -4.395 2.672 1.00 0.00 C ATOM 0 H ALA A 23 8.379 -2.728 1.035 1.00 0.00 H new ATOM 0 HA ALA A 23 8.545 -2.902 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.263 -5.011 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.662 -3.741 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.704 -5.038 1.815 1.00 0.00 H new ATOM 338 N ASN A 24 10.472 -5.105 2.290 1.00 0.00 N ATOM 339 CA ASN A 24 11.638 -6.006 2.517 1.00 0.00 C ATOM 340 C ASN A 24 12.809 -5.165 3.031 1.00 0.00 C ATOM 341 O ASN A 24 13.581 -5.599 3.861 1.00 0.00 O ATOM 342 CB ASN A 24 12.023 -6.682 1.194 1.00 0.00 C ATOM 343 CG ASN A 24 11.537 -8.134 1.197 1.00 0.00 C ATOM 344 OD1 ASN A 24 12.028 -8.949 1.953 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.587 -8.494 0.378 1.00 0.00 N ATOM 0 H ASN A 24 10.162 -5.035 1.321 1.00 0.00 H new ATOM 0 HA ASN A 24 11.386 -6.774 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.581 -6.142 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.104 -6.650 1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.257 -9.459 0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.175 -7.810 -0.257 1.00 0.00 H new ATOM 352 N PHE A 25 12.930 -3.957 2.543 1.00 0.00 N ATOM 353 CA PHE A 25 14.035 -3.060 2.993 1.00 0.00 C ATOM 354 C PHE A 25 13.915 -2.798 4.494 1.00 0.00 C ATOM 355 O PHE A 25 14.894 -2.515 5.156 1.00 0.00 O ATOM 356 CB PHE A 25 13.945 -1.733 2.236 1.00 0.00 C ATOM 357 CG PHE A 25 15.161 -0.893 2.538 1.00 0.00 C ATOM 358 CD1 PHE A 25 15.200 -0.109 3.697 1.00 0.00 C ATOM 359 CD2 PHE A 25 16.249 -0.895 1.657 1.00 0.00 C ATOM 360 CE1 PHE A 25 16.328 0.671 3.976 1.00 0.00 C ATOM 361 CE2 PHE A 25 17.377 -0.115 1.936 1.00 0.00 C ATOM 362 CZ PHE A 25 17.417 0.668 3.096 1.00 0.00 C ATOM 0 H PHE A 25 12.305 -3.551 1.846 1.00 0.00 H new ATOM 0 HA PHE A 25 14.993 -3.538 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.876 -1.918 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.040 -1.198 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.360 -0.106 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.218 -1.499 0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.358 1.275 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.217 -0.117 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.288 1.269 3.312 1.00 0.00 H new ATOM 372 N GLU A 26 12.726 -2.888 5.036 1.00 0.00 N ATOM 373 CA GLU A 26 12.557 -2.641 6.499 1.00 0.00 C ATOM 374 C GLU A 26 12.972 -3.895 7.271 1.00 0.00 C ATOM 375 O GLU A 26 13.823 -3.843 8.139 1.00 0.00 O ATOM 376 CB GLU A 26 11.092 -2.299 6.826 1.00 0.00 C ATOM 377 CG GLU A 26 10.491 -1.360 5.762 1.00 0.00 C ATOM 378 CD GLU A 26 11.357 -0.101 5.586 1.00 0.00 C ATOM 379 OE1 GLU A 26 12.202 0.147 6.432 1.00 0.00 O ATOM 380 OE2 GLU A 26 11.156 0.595 4.604 1.00 0.00 O ATOM 0 H GLU A 26 11.871 -3.120 4.531 1.00 0.00 H new ATOM 0 HA GLU A 26 13.184 -1.798 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.505 -3.216 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.036 -1.826 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.411 -1.886 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.481 -1.073 6.054 1.00 0.00 H new ATOM 387 N LYS A 27 12.381 -5.021 6.960 1.00 0.00 N ATOM 388 CA LYS A 27 12.742 -6.282 7.672 1.00 0.00 C ATOM 389 C LYS A 27 14.212 -6.615 7.404 1.00 0.00 C ATOM 390 O LYS A 27 14.943 -6.993 8.301 1.00 0.00 O ATOM 391 CB LYS A 27 11.858 -7.425 7.171 1.00 0.00 C ATOM 392 CG LYS A 27 11.785 -8.522 8.236 1.00 0.00 C ATOM 393 CD LYS A 27 12.876 -9.562 7.972 1.00 0.00 C ATOM 394 CE LYS A 27 12.390 -10.555 6.916 1.00 0.00 C ATOM 395 NZ LYS A 27 13.124 -11.843 7.069 1.00 0.00 N ATOM 0 H LYS A 27 11.663 -5.120 6.242 1.00 0.00 H new ATOM 0 HA LYS A 27 12.589 -6.151 8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.858 -7.054 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.262 -7.831 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.912 -8.089 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.804 -8.996 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.787 -9.070 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.123 -10.088 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.318 -10.720 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.552 -10.149 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.793 -12.518 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.143 -11.678 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.948 -12.232 8.017 1.00 0.00 H new ATOM 409 N ASN A 28 14.654 -6.470 6.176 1.00 0.00 N ATOM 410 CA ASN A 28 16.083 -6.767 5.848 1.00 0.00 C ATOM 411 C ASN A 28 16.997 -5.861 6.681 1.00 0.00 C ATOM 412 O ASN A 28 18.136 -6.195 6.950 1.00 0.00 O ATOM 413 CB ASN A 28 16.337 -6.513 4.360 1.00 0.00 C ATOM 414 CG ASN A 28 15.858 -7.717 3.546 1.00 0.00 C ATOM 415 OD1 ASN A 28 16.657 -8.448 2.994 1.00 0.00 O ATOM 416 ND2 ASN A 28 14.579 -7.957 3.447 1.00 0.00 N ATOM 0 H ASN A 28 14.086 -6.159 5.388 1.00 0.00 H new ATOM 0 HA ASN A 28 16.294 -7.812 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.813 -5.613 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.399 -6.343 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.251 -8.757 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.908 -7.344 3.910 1.00 0.00 H new ATOM 423 N VAL A 29 16.498 -4.724 7.097 1.00 0.00 N ATOM 424 CA VAL A 29 17.319 -3.794 7.922 1.00 0.00 C ATOM 425 C VAL A 29 17.122 -4.165 9.400 1.00 0.00 C ATOM 426 O VAL A 29 16.223 -4.910 9.745 1.00 0.00 O ATOM 427 CB VAL A 29 16.872 -2.348 7.633 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.477 -1.370 8.649 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.342 -1.956 6.231 1.00 0.00 C ATOM 0 H VAL A 29 15.551 -4.401 6.898 1.00 0.00 H new ATOM 0 HA VAL A 29 18.379 -3.874 7.681 1.00 0.00 H new ATOM 0 HB VAL A 29 15.786 -2.299 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.145 -0.357 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.152 -1.641 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.565 -1.416 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 29 17.031 -0.934 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.429 -2.023 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.902 -2.631 5.498 1.00 0.00 H new ATOM 439 N SER A 30 17.974 -3.676 10.265 1.00 0.00 N ATOM 440 CA SER A 30 17.865 -4.023 11.714 1.00 0.00 C ATOM 441 C SER A 30 16.743 -3.229 12.394 1.00 0.00 C ATOM 442 O SER A 30 15.742 -3.788 12.802 1.00 0.00 O ATOM 443 CB SER A 30 19.196 -3.718 12.402 1.00 0.00 C ATOM 444 OG SER A 30 19.485 -4.743 13.343 1.00 0.00 O ATOM 0 H SER A 30 18.743 -3.049 10.029 1.00 0.00 H new ATOM 0 HA SER A 30 17.628 -5.084 11.799 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.994 -3.652 11.662 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.146 -2.752 12.904 1.00 0.00 H new ATOM 0 HG SER A 30 20.339 -4.551 13.784 1.00 0.00 H new ATOM 450 N GLN A 31 16.916 -1.940 12.551 1.00 0.00 N ATOM 451 CA GLN A 31 15.876 -1.118 13.241 1.00 0.00 C ATOM 452 C GLN A 31 14.786 -0.674 12.256 1.00 0.00 C ATOM 453 O GLN A 31 14.577 0.507 12.039 1.00 0.00 O ATOM 454 CB GLN A 31 16.543 0.113 13.864 1.00 0.00 C ATOM 455 CG GLN A 31 15.775 0.530 15.121 1.00 0.00 C ATOM 456 CD GLN A 31 16.215 -0.340 16.299 1.00 0.00 C ATOM 457 OE1 GLN A 31 17.127 0.011 17.020 1.00 0.00 O ATOM 458 NE2 GLN A 31 15.602 -1.470 16.527 1.00 0.00 N ATOM 0 H GLN A 31 17.734 -1.421 12.230 1.00 0.00 H new ATOM 0 HA GLN A 31 15.407 -1.722 14.017 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.580 -0.111 14.116 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.559 0.933 13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.961 1.581 15.342 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.703 0.424 14.957 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.836 -1.766 15.922 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.889 -2.057 17.310 1.00 0.00 H new ATOM 467 N ALA A 32 14.076 -1.608 11.672 1.00 0.00 N ATOM 468 CA ALA A 32 12.988 -1.232 10.720 1.00 0.00 C ATOM 469 C ALA A 32 11.896 -2.307 10.737 1.00 0.00 C ATOM 470 O ALA A 32 11.534 -2.858 9.713 1.00 0.00 O ATOM 471 CB ALA A 32 13.562 -1.089 9.311 1.00 0.00 C ATOM 0 H ALA A 32 14.203 -2.610 11.813 1.00 0.00 H new ATOM 0 HA ALA A 32 12.554 -0.279 11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.765 -0.815 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.328 -0.314 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.002 -2.036 9.000 1.00 0.00 H new ATOM 477 N ILE A 33 11.365 -2.605 11.897 1.00 0.00 N ATOM 478 CA ILE A 33 10.292 -3.637 11.993 1.00 0.00 C ATOM 479 C ILE A 33 8.929 -2.932 12.121 1.00 0.00 C ATOM 480 O ILE A 33 7.918 -3.447 11.697 1.00 0.00 O ATOM 481 CB ILE A 33 10.613 -4.584 13.192 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.738 -6.028 12.684 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.540 -4.540 14.293 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.877 -6.126 11.666 1.00 0.00 C ATOM 0 H ILE A 33 11.631 -2.175 12.783 1.00 0.00 H new ATOM 0 HA ILE A 33 10.247 -4.256 11.097 1.00 0.00 H new ATOM 0 HB ILE A 33 11.549 -4.236 13.628 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.927 -6.702 13.520 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.801 -6.344 12.226 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.818 -5.219 15.099 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.461 -3.525 14.684 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.580 -4.845 13.877 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.960 -7.153 11.310 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.670 -5.466 10.824 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.814 -5.829 12.138 1.00 0.00 H new ATOM 496 N HIS A 34 8.905 -1.760 12.698 1.00 0.00 N ATOM 497 CA HIS A 34 7.607 -1.017 12.841 1.00 0.00 C ATOM 498 C HIS A 34 7.097 -0.650 11.445 1.00 0.00 C ATOM 499 O HIS A 34 5.949 -0.890 11.105 1.00 0.00 O ATOM 500 CB HIS A 34 7.780 0.267 13.684 1.00 0.00 C ATOM 501 CG HIS A 34 9.105 0.932 13.403 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.250 0.608 14.114 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.490 1.881 12.489 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.258 1.345 13.620 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.850 2.141 12.628 1.00 0.00 N ATOM 0 H HIS A 34 9.722 -1.282 13.077 1.00 0.00 H new ATOM 0 HA HIS A 34 6.891 -1.658 13.355 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.969 0.961 13.465 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.711 0.021 14.744 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.837 2.354 11.771 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.275 1.300 13.981 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.414 2.798 12.089 1.00 0.00 H new ATOM 513 N LYS A 35 7.949 -0.088 10.629 1.00 0.00 N ATOM 514 CA LYS A 35 7.533 0.283 9.244 1.00 0.00 C ATOM 515 C LYS A 35 7.335 -0.988 8.413 1.00 0.00 C ATOM 516 O LYS A 35 6.615 -0.989 7.435 1.00 0.00 O ATOM 517 CB LYS A 35 8.605 1.168 8.591 1.00 0.00 C ATOM 518 CG LYS A 35 9.996 0.542 8.775 1.00 0.00 C ATOM 519 CD LYS A 35 10.783 1.312 9.848 1.00 0.00 C ATOM 520 CE LYS A 35 12.193 1.627 9.338 1.00 0.00 C ATOM 521 NZ LYS A 35 12.256 3.050 8.903 1.00 0.00 N ATOM 0 H LYS A 35 8.918 0.131 10.862 1.00 0.00 H new ATOM 0 HA LYS A 35 6.596 0.838 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.390 1.288 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.585 2.163 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.897 -0.504 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.540 0.561 7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.263 2.237 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.841 0.721 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.925 1.443 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.446 0.970 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.213 3.265 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.567 3.211 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.032 3.669 9.708 1.00 0.00 H new ATOM 535 N TYR A 36 7.960 -2.078 8.802 1.00 0.00 N ATOM 536 CA TYR A 36 7.806 -3.360 8.045 1.00 0.00 C ATOM 537 C TYR A 36 6.315 -3.716 7.934 1.00 0.00 C ATOM 538 O TYR A 36 5.746 -3.703 6.858 1.00 0.00 O ATOM 539 CB TYR A 36 8.562 -4.468 8.795 1.00 0.00 C ATOM 540 CG TYR A 36 8.421 -5.791 8.076 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.673 -5.879 6.703 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.043 -6.931 8.792 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.545 -7.107 6.046 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.914 -8.160 8.137 1.00 0.00 C ATOM 545 CZ TYR A 36 8.166 -8.249 6.763 1.00 0.00 C ATOM 546 OH TYR A 36 8.038 -9.461 6.115 1.00 0.00 O ATOM 0 H TYR A 36 8.573 -2.132 9.616 1.00 0.00 H new ATOM 0 HA TYR A 36 8.215 -3.255 7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.616 -4.204 8.878 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.175 -4.557 9.810 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.966 -4.999 6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.850 -6.862 9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.738 -7.175 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.620 -9.039 8.691 1.00 0.00 H new ATOM 0 HH TYR A 36 7.770 -10.149 6.759 1.00 0.00 H new ATOM 556 N ASN A 37 5.680 -4.020 9.040 1.00 0.00 N ATOM 557 CA ASN A 37 4.222 -4.364 9.015 1.00 0.00 C ATOM 558 C ASN A 37 3.430 -3.237 8.336 1.00 0.00 C ATOM 559 O ASN A 37 2.357 -3.456 7.806 1.00 0.00 O ATOM 560 CB ASN A 37 3.719 -4.547 10.449 1.00 0.00 C ATOM 561 CG ASN A 37 4.501 -5.675 11.124 1.00 0.00 C ATOM 562 OD1 ASN A 37 4.683 -6.731 10.552 1.00 0.00 O ATOM 563 ND2 ASN A 37 4.974 -5.495 12.327 1.00 0.00 N ATOM 0 H ASN A 37 6.111 -4.045 9.964 1.00 0.00 H new ATOM 0 HA ASN A 37 4.081 -5.288 8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.841 -3.620 11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.654 -4.780 10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.496 -6.241 12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.821 -4.608 12.808 1.00 0.00 H new ATOM 570 N ALA A 38 3.959 -2.035 8.340 1.00 0.00 N ATOM 571 CA ALA A 38 3.252 -0.887 7.684 1.00 0.00 C ATOM 572 C ALA A 38 2.945 -1.231 6.221 1.00 0.00 C ATOM 573 O ALA A 38 1.812 -1.159 5.781 1.00 0.00 O ATOM 574 CB ALA A 38 4.159 0.345 7.726 1.00 0.00 C ATOM 0 H ALA A 38 4.853 -1.799 8.771 1.00 0.00 H new ATOM 0 HA ALA A 38 2.319 -0.687 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.653 1.186 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.384 0.596 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.087 0.132 7.194 1.00 0.00 H new ATOM 580 N TYR A 39 3.949 -1.592 5.469 1.00 0.00 N ATOM 581 CA TYR A 39 3.735 -1.927 4.031 1.00 0.00 C ATOM 582 C TYR A 39 3.430 -3.419 3.878 1.00 0.00 C ATOM 583 O TYR A 39 2.774 -3.828 2.938 1.00 0.00 O ATOM 584 CB TYR A 39 4.997 -1.571 3.242 1.00 0.00 C ATOM 585 CG TYR A 39 5.296 -0.099 3.414 1.00 0.00 C ATOM 586 CD1 TYR A 39 5.939 0.355 4.572 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.927 0.811 2.418 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.213 1.718 4.733 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.201 2.175 2.578 1.00 0.00 C ATOM 590 CZ TYR A 39 5.844 2.628 3.735 1.00 0.00 C ATOM 591 OH TYR A 39 6.113 3.973 3.893 1.00 0.00 O ATOM 0 H TYR A 39 4.914 -1.670 5.790 1.00 0.00 H new ATOM 0 HA TYR A 39 2.889 -1.357 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.839 -2.168 3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.858 -1.805 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.224 -0.347 5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.430 0.462 1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.709 2.068 5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.916 2.877 1.808 1.00 0.00 H new ATOM 0 HH TYR A 39 6.253 4.384 3.014 1.00 0.00 H new ATOM 601 N ARG A 40 3.895 -4.234 4.793 1.00 0.00 N ATOM 602 CA ARG A 40 3.626 -5.700 4.699 1.00 0.00 C ATOM 603 C ARG A 40 2.116 -5.942 4.817 1.00 0.00 C ATOM 604 O ARG A 40 1.558 -6.780 4.134 1.00 0.00 O ATOM 605 CB ARG A 40 4.360 -6.430 5.834 1.00 0.00 C ATOM 606 CG ARG A 40 5.090 -7.655 5.275 1.00 0.00 C ATOM 607 CD ARG A 40 4.069 -8.667 4.752 1.00 0.00 C ATOM 608 NE ARG A 40 4.764 -9.688 3.910 1.00 0.00 N ATOM 609 CZ ARG A 40 4.088 -10.572 3.203 1.00 0.00 C ATOM 610 NH1 ARG A 40 2.774 -10.597 3.206 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.739 -11.444 2.482 1.00 0.00 N ATOM 0 H ARG A 40 4.449 -3.946 5.600 1.00 0.00 H new ATOM 0 HA ARG A 40 3.982 -6.080 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.072 -5.757 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.649 -6.737 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.763 -7.355 4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.704 -8.111 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.562 -9.152 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.303 -8.158 4.167 1.00 0.00 H new ATOM 0 HE ARG A 40 5.784 -9.701 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.252 -9.922 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.276 -11.292 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.759 -11.436 2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.228 -12.133 1.931 1.00 0.00 H new ATOM 625 N LYS A 41 1.457 -5.209 5.679 1.00 0.00 N ATOM 626 CA LYS A 41 -0.014 -5.385 5.848 1.00 0.00 C ATOM 627 C LYS A 41 -0.753 -4.533 4.813 1.00 0.00 C ATOM 628 O LYS A 41 -1.722 -4.966 4.219 1.00 0.00 O ATOM 629 CB LYS A 41 -0.422 -4.943 7.256 1.00 0.00 C ATOM 630 CG LYS A 41 -1.617 -5.775 7.728 1.00 0.00 C ATOM 631 CD LYS A 41 -1.118 -6.971 8.541 1.00 0.00 C ATOM 632 CE LYS A 41 -2.150 -8.098 8.476 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.699 -9.233 9.331 1.00 0.00 N ATOM 0 H LYS A 41 1.877 -4.495 6.274 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.272 -6.434 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.415 -5.066 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.681 -3.884 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.283 -5.162 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.194 -6.120 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.161 -7.317 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.951 -6.676 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.121 -7.737 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.276 -8.432 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.400 -10.000 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.781 -9.583 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.601 -8.909 10.314 1.00 0.00 H new ATOM 647 N ALA A 42 -0.299 -3.324 4.594 1.00 0.00 N ATOM 648 CA ALA A 42 -0.967 -2.436 3.598 1.00 0.00 C ATOM 649 C ALA A 42 -0.806 -3.028 2.195 1.00 0.00 C ATOM 650 O ALA A 42 -1.638 -2.824 1.330 1.00 0.00 O ATOM 651 CB ALA A 42 -0.326 -1.048 3.639 1.00 0.00 C ATOM 0 H ALA A 42 0.508 -2.914 5.064 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.027 -2.355 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.814 -0.400 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.440 -0.624 4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.734 -1.129 3.398 1.00 0.00 H new ATOM 657 N ALA A 43 0.257 -3.754 1.964 1.00 0.00 N ATOM 658 CA ALA A 43 0.481 -4.359 0.619 1.00 0.00 C ATOM 659 C ALA A 43 -0.328 -5.650 0.494 1.00 0.00 C ATOM 660 O ALA A 43 -0.779 -6.006 -0.578 1.00 0.00 O ATOM 661 CB ALA A 43 1.967 -4.677 0.445 1.00 0.00 C ATOM 0 H ALA A 43 0.982 -3.954 2.653 1.00 0.00 H new ATOM 0 HA ALA A 43 0.163 -3.655 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.132 -5.119 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.548 -3.759 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.281 -5.380 1.217 1.00 0.00 H new ATOM 667 N SER A 44 -0.506 -6.357 1.580 1.00 0.00 N ATOM 668 CA SER A 44 -1.277 -7.635 1.532 1.00 0.00 C ATOM 669 C SER A 44 -2.753 -7.343 1.243 1.00 0.00 C ATOM 670 O SER A 44 -3.356 -7.956 0.381 1.00 0.00 O ATOM 671 CB SER A 44 -1.156 -8.352 2.877 1.00 0.00 C ATOM 672 OG SER A 44 -1.934 -9.542 2.846 1.00 0.00 O ATOM 0 H SER A 44 -0.149 -6.103 2.501 1.00 0.00 H new ATOM 0 HA SER A 44 -0.874 -8.267 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.113 -8.591 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.498 -7.701 3.681 1.00 0.00 H new ATOM 0 HG SER A 44 -1.858 -10.005 3.706 1.00 0.00 H new ATOM 678 N VAL A 45 -3.338 -6.421 1.961 1.00 0.00 N ATOM 679 CA VAL A 45 -4.778 -6.092 1.743 1.00 0.00 C ATOM 680 C VAL A 45 -4.970 -5.498 0.339 1.00 0.00 C ATOM 681 O VAL A 45 -5.933 -5.799 -0.339 1.00 0.00 O ATOM 682 CB VAL A 45 -5.237 -5.089 2.814 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.407 -3.806 2.722 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.719 -4.752 2.612 1.00 0.00 C ATOM 0 H VAL A 45 -2.878 -5.879 2.693 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.377 -6.999 1.822 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.098 -5.538 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.740 -3.102 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.355 -4.041 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.535 -3.360 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.038 -4.041 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.861 -4.313 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.313 -5.662 2.694 1.00 0.00 H new ATOM 694 N ILE A 46 -4.068 -4.652 -0.092 1.00 0.00 N ATOM 695 CA ILE A 46 -4.204 -4.031 -1.443 1.00 0.00 C ATOM 696 C ILE A 46 -3.795 -5.038 -2.525 1.00 0.00 C ATOM 697 O ILE A 46 -4.266 -4.977 -3.646 1.00 0.00 O ATOM 698 CB ILE A 46 -3.307 -2.791 -1.522 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.667 -1.835 -0.382 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.521 -2.083 -2.863 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.620 -0.722 -0.291 1.00 0.00 C ATOM 0 H ILE A 46 -3.243 -4.365 0.435 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.242 -3.741 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.263 -3.093 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.654 -1.406 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.715 -2.380 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.882 -1.202 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.270 -2.763 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.564 -1.780 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.880 -0.044 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.640 -1.159 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.594 -0.170 -1.230 1.00 0.00 H new ATOM 713 N ALA A 47 -2.926 -5.961 -2.198 1.00 0.00 N ATOM 714 CA ALA A 47 -2.487 -6.973 -3.206 1.00 0.00 C ATOM 715 C ALA A 47 -3.581 -8.028 -3.403 1.00 0.00 C ATOM 716 O ALA A 47 -3.647 -8.673 -4.433 1.00 0.00 O ATOM 717 CB ALA A 47 -1.207 -7.657 -2.718 1.00 0.00 C ATOM 0 H ALA A 47 -2.501 -6.057 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.299 -6.471 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.886 -8.395 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.423 -6.911 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.399 -8.152 -1.766 1.00 0.00 H new ATOM 723 N LYS A 48 -4.438 -8.211 -2.427 1.00 0.00 N ATOM 724 CA LYS A 48 -5.524 -9.226 -2.561 1.00 0.00 C ATOM 725 C LYS A 48 -6.888 -8.543 -2.438 1.00 0.00 C ATOM 726 O LYS A 48 -7.862 -9.154 -2.038 1.00 0.00 O ATOM 727 CB LYS A 48 -5.381 -10.270 -1.453 1.00 0.00 C ATOM 728 CG LYS A 48 -5.883 -11.624 -1.959 1.00 0.00 C ATOM 729 CD LYS A 48 -4.895 -12.187 -2.984 1.00 0.00 C ATOM 730 CE LYS A 48 -5.659 -12.950 -4.066 1.00 0.00 C ATOM 731 NZ LYS A 48 -6.362 -14.113 -3.453 1.00 0.00 N ATOM 0 H LYS A 48 -4.430 -7.700 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.448 -9.709 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.338 -10.349 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.950 -9.964 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.992 -12.317 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.868 -11.512 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.320 -11.377 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.183 -12.849 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.379 -12.291 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.971 -13.293 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.725 -14.734 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.698 -14.644 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.155 -13.773 -2.872 1.00 0.00 H new ATOM 745 N TYR A 49 -6.965 -7.284 -2.783 1.00 0.00 N ATOM 746 CA TYR A 49 -8.263 -6.554 -2.692 1.00 0.00 C ATOM 747 C TYR A 49 -9.096 -6.858 -3.951 1.00 0.00 C ATOM 748 O TYR A 49 -8.548 -6.918 -5.035 1.00 0.00 O ATOM 749 CB TYR A 49 -7.980 -5.047 -2.599 1.00 0.00 C ATOM 750 CG TYR A 49 -9.124 -4.325 -1.914 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.673 -4.828 -0.725 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.628 -3.141 -2.466 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.723 -4.152 -0.096 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.680 -2.465 -1.835 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.228 -2.970 -0.651 1.00 0.00 C ATOM 756 OH TYR A 49 -12.263 -2.303 -0.030 1.00 0.00 O ATOM 0 H TYR A 49 -6.181 -6.728 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.817 -6.872 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.056 -4.880 -2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.832 -4.638 -3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.284 -5.739 -0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.205 -2.749 -3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.145 -4.542 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.069 -1.553 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.683 -2.893 0.631 1.00 0.00 H new ATOM 766 N PRO A 50 -10.396 -7.048 -3.793 1.00 0.00 N ATOM 767 CA PRO A 50 -11.322 -7.356 -4.930 1.00 0.00 C ATOM 768 C PRO A 50 -11.814 -6.075 -5.610 1.00 0.00 C ATOM 769 O PRO A 50 -12.725 -6.116 -6.417 1.00 0.00 O ATOM 770 CB PRO A 50 -12.480 -8.079 -4.256 1.00 0.00 C ATOM 771 CG PRO A 50 -12.495 -7.652 -2.800 1.00 0.00 C ATOM 772 CD PRO A 50 -11.153 -6.986 -2.490 1.00 0.00 C ATOM 0 HA PRO A 50 -10.842 -7.943 -5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.424 -7.827 -4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.358 -9.159 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.316 -6.960 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.652 -8.514 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.287 -5.957 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.622 -7.512 -1.696 1.00 0.00 H new ATOM 780 N HIS A 51 -11.237 -4.939 -5.292 1.00 0.00 N ATOM 781 CA HIS A 51 -11.703 -3.669 -5.929 1.00 0.00 C ATOM 782 C HIS A 51 -10.519 -2.718 -6.108 1.00 0.00 C ATOM 783 O HIS A 51 -9.444 -2.947 -5.589 1.00 0.00 O ATOM 784 CB HIS A 51 -12.771 -3.013 -5.042 1.00 0.00 C ATOM 785 CG HIS A 51 -13.785 -4.048 -4.625 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.723 -4.565 -5.505 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.991 -4.700 -3.434 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.441 -5.486 -4.838 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.038 -5.606 -3.571 1.00 0.00 N ATOM 0 H HIS A 51 -10.471 -4.838 -4.626 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.133 -3.889 -6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.305 -2.570 -4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.262 -2.205 -5.584 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.426 -4.535 -2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.246 -6.059 -5.274 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.416 -6.228 -2.857 1.00 0.00 H new ATOM 797 N LYS A 52 -10.710 -1.655 -6.848 1.00 0.00 N ATOM 798 CA LYS A 52 -9.601 -0.683 -7.074 1.00 0.00 C ATOM 799 C LYS A 52 -9.723 0.477 -6.084 1.00 0.00 C ATOM 800 O LYS A 52 -10.810 0.850 -5.685 1.00 0.00 O ATOM 801 CB LYS A 52 -9.680 -0.141 -8.503 1.00 0.00 C ATOM 802 CG LYS A 52 -11.075 0.431 -8.758 1.00 0.00 C ATOM 803 CD LYS A 52 -11.024 1.395 -9.947 1.00 0.00 C ATOM 804 CE LYS A 52 -12.431 1.576 -10.519 1.00 0.00 C ATOM 805 NZ LYS A 52 -12.639 0.614 -11.638 1.00 0.00 N ATOM 0 H LYS A 52 -11.590 -1.419 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.646 -1.186 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.926 0.632 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.466 -0.936 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.779 -0.376 -8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.434 0.951 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.622 2.358 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.355 1.007 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.176 1.411 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.562 2.598 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.595 0.736 -12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.936 0.792 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.531 -0.358 -11.285 1.00 0.00 H new ATOM 819 N ILE A 53 -8.613 1.047 -5.689 1.00 0.00 N ATOM 820 CA ILE A 53 -8.653 2.187 -4.726 1.00 0.00 C ATOM 821 C ILE A 53 -8.553 3.503 -5.499 1.00 0.00 C ATOM 822 O ILE A 53 -7.494 3.881 -5.963 1.00 0.00 O ATOM 823 CB ILE A 53 -7.479 2.075 -3.752 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.485 0.689 -3.104 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.611 3.146 -2.667 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.227 0.521 -2.249 1.00 0.00 C ATOM 0 H ILE A 53 -7.679 0.771 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.588 2.161 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.544 2.220 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.376 0.568 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.522 -0.083 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.774 3.066 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.607 4.134 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.546 3.002 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.230 -0.466 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.343 0.624 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.210 1.285 -1.472 1.00 0.00 H new ATOM 838 N LYS A 54 -9.652 4.199 -5.640 1.00 0.00 N ATOM 839 CA LYS A 54 -9.634 5.492 -6.385 1.00 0.00 C ATOM 840 C LYS A 54 -9.281 6.630 -5.427 1.00 0.00 C ATOM 841 O LYS A 54 -8.529 7.525 -5.765 1.00 0.00 O ATOM 842 CB LYS A 54 -11.016 5.747 -6.993 1.00 0.00 C ATOM 843 CG LYS A 54 -11.200 4.867 -8.230 1.00 0.00 C ATOM 844 CD LYS A 54 -12.315 5.443 -9.106 1.00 0.00 C ATOM 845 CE LYS A 54 -13.675 5.034 -8.537 1.00 0.00 C ATOM 846 NZ LYS A 54 -14.172 6.100 -7.623 1.00 0.00 N ATOM 0 H LYS A 54 -10.563 3.926 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.889 5.444 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.793 5.529 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.118 6.798 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.269 4.816 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.448 3.848 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.237 6.530 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.213 5.080 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.387 4.874 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.587 4.090 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.210 6.146 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.883 5.883 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.770 7.016 -7.907 1.00 0.00 H new ATOM 860 N SER A 55 -9.819 6.602 -4.234 1.00 0.00 N ATOM 861 CA SER A 55 -9.520 7.679 -3.246 1.00 0.00 C ATOM 862 C SER A 55 -8.705 7.101 -2.088 1.00 0.00 C ATOM 863 O SER A 55 -8.760 5.917 -1.811 1.00 0.00 O ATOM 864 CB SER A 55 -10.830 8.255 -2.710 1.00 0.00 C ATOM 865 OG SER A 55 -10.572 9.504 -2.081 1.00 0.00 O ATOM 0 H SER A 55 -10.454 5.876 -3.902 1.00 0.00 H new ATOM 0 HA SER A 55 -8.947 8.468 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.543 8.385 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.281 7.563 -1.999 1.00 0.00 H new ATOM 0 HG SER A 55 -11.411 9.877 -1.738 1.00 0.00 H new ATOM 871 N GLY A 56 -7.950 7.929 -1.411 1.00 0.00 N ATOM 872 CA GLY A 56 -7.126 7.440 -0.266 1.00 0.00 C ATOM 873 C GLY A 56 -8.035 6.841 0.811 1.00 0.00 C ATOM 874 O GLY A 56 -7.631 5.970 1.559 1.00 0.00 O ATOM 0 H GLY A 56 -7.869 8.927 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.415 6.690 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.545 8.262 0.152 1.00 0.00 H new ATOM 878 N ALA A 57 -9.260 7.299 0.894 1.00 0.00 N ATOM 879 CA ALA A 57 -10.202 6.758 1.920 1.00 0.00 C ATOM 880 C ALA A 57 -10.423 5.264 1.674 1.00 0.00 C ATOM 881 O ALA A 57 -10.652 4.502 2.594 1.00 0.00 O ATOM 882 CB ALA A 57 -11.539 7.496 1.823 1.00 0.00 C ATOM 0 H ALA A 57 -9.648 8.026 0.293 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.779 6.902 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.227 7.102 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.381 8.560 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.963 7.352 0.829 1.00 0.00 H new ATOM 888 N GLU A 58 -10.355 4.844 0.436 1.00 0.00 N ATOM 889 CA GLU A 58 -10.556 3.400 0.117 1.00 0.00 C ATOM 890 C GLU A 58 -9.445 2.567 0.767 1.00 0.00 C ATOM 891 O GLU A 58 -9.623 1.396 1.045 1.00 0.00 O ATOM 892 CB GLU A 58 -10.519 3.204 -1.400 1.00 0.00 C ATOM 893 CG GLU A 58 -11.944 3.250 -1.957 1.00 0.00 C ATOM 894 CD GLU A 58 -12.331 4.700 -2.250 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.968 5.187 -3.308 1.00 0.00 O ATOM 896 OE2 GLU A 58 -12.984 5.298 -1.411 1.00 0.00 O ATOM 0 H GLU A 58 -10.168 5.442 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.522 3.076 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.911 3.982 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.053 2.249 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.009 2.654 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.640 2.814 -1.240 1.00 0.00 H new ATOM 903 N ALA A 59 -8.302 3.162 1.009 1.00 0.00 N ATOM 904 CA ALA A 59 -7.179 2.409 1.641 1.00 0.00 C ATOM 905 C ALA A 59 -7.329 2.434 3.166 1.00 0.00 C ATOM 906 O ALA A 59 -6.862 1.547 3.856 1.00 0.00 O ATOM 907 CB ALA A 59 -5.849 3.056 1.250 1.00 0.00 C ATOM 0 H ALA A 59 -8.100 4.139 0.795 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.200 1.376 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.028 2.507 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.738 3.033 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.832 4.090 1.594 1.00 0.00 H new ATOM 913 N LYS A 60 -7.975 3.446 3.695 1.00 0.00 N ATOM 914 CA LYS A 60 -8.156 3.533 5.174 1.00 0.00 C ATOM 915 C LYS A 60 -9.208 2.517 5.625 1.00 0.00 C ATOM 916 O LYS A 60 -9.057 1.866 6.642 1.00 0.00 O ATOM 917 CB LYS A 60 -8.620 4.943 5.547 1.00 0.00 C ATOM 918 CG LYS A 60 -8.224 5.248 6.993 1.00 0.00 C ATOM 919 CD LYS A 60 -6.893 6.004 7.011 1.00 0.00 C ATOM 920 CE LYS A 60 -7.158 7.509 6.951 1.00 0.00 C ATOM 921 NZ LYS A 60 -5.912 8.217 6.542 1.00 0.00 N ATOM 0 H LYS A 60 -8.384 4.215 3.164 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.209 3.316 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.171 5.674 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.701 5.024 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.999 5.844 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.135 4.321 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.336 5.758 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.278 5.699 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.958 7.720 6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.491 7.870 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.092 9.241 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.160 8.025 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.613 7.880 5.604 1.00 0.00 H new ATOM 935 N LYS A 61 -10.270 2.377 4.873 1.00 0.00 N ATOM 936 CA LYS A 61 -11.342 1.406 5.248 1.00 0.00 C ATOM 937 C LYS A 61 -10.768 -0.016 5.298 1.00 0.00 C ATOM 938 O LYS A 61 -11.290 -0.878 5.979 1.00 0.00 O ATOM 939 CB LYS A 61 -12.469 1.464 4.211 1.00 0.00 C ATOM 940 CG LYS A 61 -11.908 1.162 2.817 1.00 0.00 C ATOM 941 CD LYS A 61 -13.053 1.133 1.801 1.00 0.00 C ATOM 942 CE LYS A 61 -13.541 -0.306 1.623 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.682 -0.562 2.547 1.00 0.00 N ATOM 0 H LYS A 61 -10.441 2.896 4.012 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.733 1.669 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.246 0.743 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.934 2.450 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.177 1.920 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.388 0.204 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.872 1.766 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.716 1.535 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.851 -0.471 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.730 -1.004 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.291 -1.305 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.318 -0.871 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.234 0.311 2.667 1.00 0.00 H new ATOM 957 N LEU A 62 -9.705 -0.267 4.572 1.00 0.00 N ATOM 958 CA LEU A 62 -9.099 -1.632 4.564 1.00 0.00 C ATOM 959 C LEU A 62 -8.694 -2.036 5.997 1.00 0.00 C ATOM 960 O LEU A 62 -8.151 -1.226 6.724 1.00 0.00 O ATOM 961 CB LEU A 62 -7.855 -1.628 3.669 1.00 0.00 C ATOM 962 CG LEU A 62 -8.241 -1.224 2.241 1.00 0.00 C ATOM 963 CD1 LEU A 62 -6.984 -1.164 1.370 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.211 -2.253 1.654 1.00 0.00 C ATOM 0 H LEU A 62 -9.231 0.418 3.984 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.828 -2.346 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.114 -0.934 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.396 -2.617 3.665 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.721 -0.246 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.258 -0.877 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.292 -0.429 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.506 -2.143 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.482 -1.961 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.734 -3.233 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.109 -2.299 2.270 1.00 0.00 H new ATOM 976 N PRO A 63 -8.958 -3.277 6.374 1.00 0.00 N ATOM 977 CA PRO A 63 -8.621 -3.807 7.734 1.00 0.00 C ATOM 978 C PRO A 63 -7.148 -4.204 7.792 1.00 0.00 C ATOM 979 O PRO A 63 -6.729 -5.169 7.179 1.00 0.00 O ATOM 980 CB PRO A 63 -9.526 -5.021 7.884 1.00 0.00 C ATOM 981 CG PRO A 63 -9.873 -5.498 6.486 1.00 0.00 C ATOM 982 CD PRO A 63 -9.614 -4.338 5.522 1.00 0.00 C ATOM 0 HA PRO A 63 -8.771 -3.079 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.023 -5.809 8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.429 -4.762 8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.267 -6.363 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.916 -5.811 6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.967 -4.643 4.699 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.542 -3.975 5.080 1.00 0.00 H new ATOM 990 N GLY A 64 -6.361 -3.457 8.519 1.00 0.00 N ATOM 991 CA GLY A 64 -4.906 -3.768 8.619 1.00 0.00 C ATOM 992 C GLY A 64 -4.093 -2.520 8.260 1.00 0.00 C ATOM 993 O GLY A 64 -2.957 -2.374 8.673 1.00 0.00 O ATOM 0 H GLY A 64 -6.665 -2.641 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.662 -4.096 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.651 -4.587 7.947 1.00 0.00 H new ATOM 997 N VAL A 65 -4.663 -1.620 7.492 1.00 0.00 N ATOM 998 CA VAL A 65 -3.921 -0.384 7.107 1.00 0.00 C ATOM 999 C VAL A 65 -4.172 0.704 8.151 1.00 0.00 C ATOM 1000 O VAL A 65 -5.284 0.894 8.606 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.406 0.102 5.739 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.523 1.257 5.265 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.327 -1.045 4.729 1.00 0.00 C ATOM 0 H VAL A 65 -5.609 -1.691 7.117 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.854 -0.603 7.056 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.438 0.442 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.868 1.603 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.579 2.076 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.491 0.916 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.673 -0.697 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.295 -1.387 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.957 -1.869 5.064 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.144 1.417 8.533 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.309 2.496 9.551 1.00 0.00 C ATOM 1015 C GLY A 66 -3.498 3.840 8.846 1.00 0.00 C ATOM 1016 O GLY A 66 -4.059 3.912 7.769 1.00 0.00 O ATOM 0 H GLY A 66 -2.194 1.297 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.169 2.283 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.435 2.534 10.201 1.00 0.00 H new ATOM 1020 N THR A 67 -3.034 4.903 9.450 1.00 0.00 N ATOM 1021 CA THR A 67 -3.179 6.250 8.824 1.00 0.00 C ATOM 1022 C THR A 67 -1.874 6.637 8.125 1.00 0.00 C ATOM 1023 O THR A 67 -1.875 7.375 7.158 1.00 0.00 O ATOM 1024 CB THR A 67 -3.503 7.283 9.908 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.461 7.296 10.872 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.824 6.916 10.587 1.00 0.00 C ATOM 0 H THR A 67 -2.559 4.896 10.353 1.00 0.00 H new ATOM 0 HA THR A 67 -3.986 6.223 8.092 1.00 0.00 H new ATOM 0 HB THR A 67 -3.593 8.270 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.665 7.957 11.566 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.053 7.652 11.358 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.623 6.906 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.738 5.929 11.041 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.761 6.147 8.611 1.00 0.00 N ATOM 1035 CA LYS A 68 0.549 6.483 7.981 1.00 0.00 C ATOM 1036 C LYS A 68 0.602 5.897 6.569 1.00 0.00 C ATOM 1037 O LYS A 68 0.653 6.619 5.591 1.00 0.00 O ATOM 1038 CB LYS A 68 1.686 5.895 8.821 1.00 0.00 C ATOM 1039 CG LYS A 68 2.934 6.767 8.673 1.00 0.00 C ATOM 1040 CD LYS A 68 3.480 6.641 7.249 1.00 0.00 C ATOM 1041 CE LYS A 68 4.837 7.340 7.159 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.862 6.529 7.875 1.00 0.00 N ATOM 0 H LYS A 68 -0.705 5.527 9.419 1.00 0.00 H new ATOM 0 HA LYS A 68 0.659 7.566 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.389 5.842 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.901 4.876 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.691 7.807 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.693 6.460 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.582 5.590 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.782 7.086 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.123 7.468 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.775 8.336 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.811 6.798 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.790 6.703 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.702 5.519 7.683 1.00 0.00 H new ATOM 1056 N ILE A 69 0.594 4.592 6.458 1.00 0.00 N ATOM 1057 CA ILE A 69 0.647 3.947 5.114 1.00 0.00 C ATOM 1058 C ILE A 69 -0.587 4.344 4.301 1.00 0.00 C ATOM 1059 O ILE A 69 -0.503 4.595 3.113 1.00 0.00 O ATOM 1060 CB ILE A 69 0.686 2.429 5.297 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.909 2.058 6.148 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.768 1.730 3.932 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.200 2.470 5.431 1.00 0.00 C ATOM 0 H ILE A 69 0.553 3.945 7.245 1.00 0.00 H new ATOM 0 HA ILE A 69 1.539 4.275 4.580 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.225 2.102 5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.850 2.553 7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.917 0.985 6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.795 0.650 4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.105 1.994 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.672 2.049 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.059 2.201 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.264 1.955 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.196 3.547 5.265 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.732 4.402 4.931 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.981 4.782 4.201 1.00 0.00 C ATOM 1077 C ALA A 70 -2.806 6.165 3.565 1.00 0.00 C ATOM 1078 O ALA A 70 -3.183 6.387 2.429 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.157 4.813 5.179 1.00 0.00 C ATOM 0 H ALA A 70 -1.857 4.202 5.923 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.179 4.048 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.066 5.090 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.285 3.827 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.959 5.544 5.963 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.230 7.092 4.290 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.017 8.458 3.740 1.00 0.00 C ATOM 1087 C GLU A 71 -1.109 8.375 2.510 1.00 0.00 C ATOM 1088 O GLU A 71 -1.268 9.114 1.556 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.359 9.340 4.803 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.397 9.734 5.854 1.00 0.00 C ATOM 1091 CD GLU A 71 -3.092 11.028 5.427 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -3.708 11.026 4.373 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -3.000 11.998 6.161 1.00 0.00 O ATOM 0 H GLU A 71 -1.898 6.956 5.245 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.977 8.890 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.534 8.806 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.938 10.233 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.131 8.937 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.916 9.870 6.822 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.161 7.470 2.528 1.00 0.00 N ATOM 1101 CA LYS A 72 0.761 7.320 1.366 1.00 0.00 C ATOM 1102 C LYS A 72 -0.033 6.837 0.151 1.00 0.00 C ATOM 1103 O LYS A 72 0.287 7.158 -0.978 1.00 0.00 O ATOM 1104 CB LYS A 72 1.849 6.298 1.705 1.00 0.00 C ATOM 1105 CG LYS A 72 3.054 6.510 0.787 1.00 0.00 C ATOM 1106 CD LYS A 72 4.341 6.190 1.551 1.00 0.00 C ATOM 1107 CE LYS A 72 5.546 6.410 0.635 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.781 5.184 -0.180 1.00 0.00 N ATOM 0 H LYS A 72 0.012 6.828 3.301 1.00 0.00 H new ATOM 0 HA LYS A 72 1.225 8.280 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.150 6.404 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.462 5.286 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.972 5.871 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.076 7.540 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.420 6.825 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.321 5.158 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.369 7.265 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.431 6.640 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.600 5.333 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.968 4.378 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.939 4.984 -0.757 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.073 6.073 0.379 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.903 5.569 -0.756 1.00 0.00 C ATOM 1124 C ILE A 73 -2.535 6.762 -1.477 1.00 0.00 C ATOM 1125 O ILE A 73 -2.532 6.838 -2.690 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.005 4.646 -0.221 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.382 3.511 0.610 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.796 4.052 -1.390 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.414 2.687 -0.252 1.00 0.00 C ATOM 0 H ILE A 73 -1.382 5.777 1.305 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.276 5.008 -1.450 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.677 5.226 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.852 3.927 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.168 2.866 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.578 3.397 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.249 4.857 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.125 3.479 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.981 1.888 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.954 2.255 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.618 3.333 -0.624 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.066 7.702 -0.734 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.694 8.906 -1.360 1.00 0.00 C ATOM 1143 C ASP A 74 -2.665 9.619 -2.244 1.00 0.00 C ATOM 1144 O ASP A 74 -2.983 10.098 -3.315 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.170 9.862 -0.263 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.333 10.704 -0.790 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.142 11.389 -1.780 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.395 10.650 -0.192 1.00 0.00 O ATOM 0 H ASP A 74 -3.091 7.686 0.286 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.544 8.596 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.484 9.298 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.351 10.509 0.051 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.432 9.674 -1.806 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.370 10.336 -2.622 1.00 0.00 C ATOM 1155 C GLU A 75 -0.196 9.571 -3.938 1.00 0.00 C ATOM 1156 O GLU A 75 0.205 10.127 -4.941 1.00 0.00 O ATOM 1157 CB GLU A 75 0.949 10.329 -1.846 1.00 0.00 C ATOM 1158 CG GLU A 75 0.961 11.485 -0.846 1.00 0.00 C ATOM 1159 CD GLU A 75 1.639 12.702 -1.478 1.00 0.00 C ATOM 1160 OE1 GLU A 75 2.849 12.808 -1.361 1.00 0.00 O ATOM 1161 OE2 GLU A 75 0.938 13.507 -2.069 1.00 0.00 O ATOM 0 H GLU A 75 -1.115 9.288 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.658 11.366 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.070 9.381 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.789 10.422 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.058 11.736 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.491 11.190 0.060 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.499 8.297 -3.937 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.363 7.482 -5.179 1.00 0.00 C ATOM 1170 C PHE A 76 -1.471 7.862 -6.158 1.00 0.00 C ATOM 1171 O PHE A 76 -1.232 8.105 -7.326 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.498 5.995 -4.819 1.00 0.00 C ATOM 1173 CG PHE A 76 0.829 5.307 -4.985 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.232 4.872 -6.250 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.651 5.108 -3.874 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.467 4.231 -6.406 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.886 4.467 -4.027 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.295 4.029 -5.294 1.00 0.00 C ATOM 0 H PHE A 76 -0.837 7.785 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 76 0.609 7.668 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.846 5.891 -3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.245 5.523 -5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.592 5.030 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.335 5.448 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.781 3.893 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.523 4.310 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.248 3.536 -5.413 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.684 7.887 -5.684 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.834 8.220 -6.564 1.00 0.00 C ATOM 1190 C LEU A 77 -3.844 9.719 -6.875 1.00 0.00 C ATOM 1191 O LEU A 77 -4.086 10.123 -7.997 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.134 7.838 -5.845 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.349 6.311 -5.844 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.294 5.755 -7.270 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.268 5.640 -4.993 1.00 0.00 C ATOM 0 H LEU A 77 -2.929 7.689 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.747 7.668 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.105 8.203 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.978 8.325 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.333 6.100 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.448 4.676 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.075 6.220 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.320 5.973 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.422 4.561 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.286 5.867 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.325 6.014 -3.971 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.590 10.546 -5.891 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.592 12.022 -6.128 1.00 0.00 C ATOM 1209 C ALA A 78 -2.505 12.386 -7.148 1.00 0.00 C ATOM 1210 O ALA A 78 -2.784 12.580 -8.317 1.00 0.00 O ATOM 1211 CB ALA A 78 -3.330 12.751 -4.806 1.00 0.00 C ATOM 0 H ALA A 78 -3.381 10.262 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.563 12.324 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.331 13.827 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.111 12.497 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.361 12.448 -4.409 1.00 0.00 H new ATOM 1217 N THR A 79 -1.270 12.478 -6.718 1.00 0.00 N ATOM 1218 CA THR A 79 -0.166 12.827 -7.660 1.00 0.00 C ATOM 1219 C THR A 79 0.969 11.811 -7.516 1.00 0.00 C ATOM 1220 O THR A 79 1.207 11.005 -8.396 1.00 0.00 O ATOM 1221 CB THR A 79 0.359 14.227 -7.333 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.182 14.487 -5.948 1.00 0.00 O ATOM 1223 CG2 THR A 79 -0.410 15.266 -8.151 1.00 0.00 C ATOM 0 H THR A 79 -0.980 12.326 -5.752 1.00 0.00 H new ATOM 0 HA THR A 79 -0.542 12.809 -8.683 1.00 0.00 H new ATOM 0 HB THR A 79 1.419 14.284 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.520 15.383 -5.738 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.036 16.263 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.273 15.067 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.470 15.210 -7.905 1.00 0.00 H new ATOM 1231 N GLY A 80 1.670 11.844 -6.411 1.00 0.00 N ATOM 1232 CA GLY A 80 2.791 10.883 -6.199 1.00 0.00 C ATOM 1233 C GLY A 80 4.128 11.614 -6.330 1.00 0.00 C ATOM 1234 O GLY A 80 4.992 11.215 -7.089 1.00 0.00 O ATOM 0 H GLY A 80 1.512 12.498 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.710 10.427 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.734 10.076 -6.929 1.00 0.00 H new ATOM 1238 N LYS A 81 4.304 12.683 -5.594 1.00 0.00 N ATOM 1239 CA LYS A 81 5.583 13.449 -5.667 1.00 0.00 C ATOM 1240 C LYS A 81 5.861 14.108 -4.315 1.00 0.00 C ATOM 1241 O LYS A 81 5.481 15.239 -4.078 1.00 0.00 O ATOM 1242 CB LYS A 81 5.471 14.527 -6.749 1.00 0.00 C ATOM 1243 CG LYS A 81 6.062 14.002 -8.060 1.00 0.00 C ATOM 1244 CD LYS A 81 7.589 13.967 -7.959 1.00 0.00 C ATOM 1245 CE LYS A 81 8.135 15.391 -7.820 1.00 0.00 C ATOM 1246 NZ LYS A 81 8.527 15.638 -6.403 1.00 0.00 N ATOM 0 H LYS A 81 3.613 13.058 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 81 6.400 12.771 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.427 14.804 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.999 15.428 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.679 13.003 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.757 14.640 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.892 13.367 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.010 13.492 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.995 15.527 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.380 16.113 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.329 16.629 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.983 15.010 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.543 15.449 -6.286 1.00 0.00 H new ATOM 1260 N LEU A 82 6.521 13.406 -3.428 1.00 0.00 N ATOM 1261 CA LEU A 82 6.829 13.972 -2.093 1.00 0.00 C ATOM 1262 C LEU A 82 8.347 14.196 -1.997 1.00 0.00 C ATOM 1263 O LEU A 82 9.093 13.300 -1.647 1.00 0.00 O ATOM 1264 CB LEU A 82 6.341 12.974 -1.024 1.00 0.00 C ATOM 1265 CG LEU A 82 6.896 13.335 0.355 1.00 0.00 C ATOM 1266 CD1 LEU A 82 6.390 14.718 0.771 1.00 0.00 C ATOM 1267 CD2 LEU A 82 6.438 12.293 1.378 1.00 0.00 C ATOM 0 H LEU A 82 6.860 12.456 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 82 6.328 14.927 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.251 12.973 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.653 11.965 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 82 7.985 13.349 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.788 14.971 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.720 15.460 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.301 14.710 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.833 12.550 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.349 12.276 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.805 11.309 1.085 1.00 0.00 H new ATOM 1279 N ARG A 83 8.801 15.384 -2.305 1.00 0.00 N ATOM 1280 CA ARG A 83 10.263 15.675 -2.234 1.00 0.00 C ATOM 1281 C ARG A 83 10.572 16.417 -0.930 1.00 0.00 C ATOM 1282 O ARG A 83 11.221 15.889 -0.047 1.00 0.00 O ATOM 1283 CB ARG A 83 10.670 16.543 -3.429 1.00 0.00 C ATOM 1284 CG ARG A 83 12.188 16.733 -3.431 1.00 0.00 C ATOM 1285 CD ARG A 83 12.837 15.653 -4.300 1.00 0.00 C ATOM 1286 NE ARG A 83 14.215 15.367 -3.793 1.00 0.00 N ATOM 1287 CZ ARG A 83 14.947 14.397 -4.303 1.00 0.00 C ATOM 1288 NH1 ARG A 83 14.503 13.638 -5.279 1.00 0.00 N ATOM 1289 NH2 ARG A 83 16.145 14.186 -3.828 1.00 0.00 N ATOM 0 H ARG A 83 8.219 16.167 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 83 10.823 14.740 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.351 16.072 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.172 17.511 -3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.441 17.722 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.574 16.676 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.235 14.745 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.881 15.984 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 83 14.596 15.935 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.570 13.792 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.091 12.894 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.504 14.769 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.722 13.439 -4.214 1.00 0.00 H new ATOM 1303 N LYS A 84 10.108 17.635 -0.806 1.00 0.00 N ATOM 1304 CA LYS A 84 10.368 18.418 0.437 1.00 0.00 C ATOM 1305 C LYS A 84 9.169 19.325 0.726 1.00 0.00 C ATOM 1306 O LYS A 84 9.171 20.494 0.389 1.00 0.00 O ATOM 1307 CB LYS A 84 11.625 19.274 0.250 1.00 0.00 C ATOM 1308 CG LYS A 84 12.833 18.564 0.872 1.00 0.00 C ATOM 1309 CD LYS A 84 13.642 17.864 -0.222 1.00 0.00 C ATOM 1310 CE LYS A 84 15.025 17.499 0.318 1.00 0.00 C ATOM 1311 NZ LYS A 84 15.661 16.495 -0.580 1.00 0.00 N ATOM 0 H LYS A 84 9.559 18.121 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 84 10.518 17.735 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.802 19.450 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.485 20.249 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.460 19.285 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.498 17.836 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.122 16.966 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.740 18.516 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.648 18.391 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.938 17.096 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.602 16.247 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.069 15.641 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.757 16.895 -1.535 1.00 0.00 H new ATOM 1325 N LEU A 85 8.148 18.792 1.347 1.00 0.00 N ATOM 1326 CA LEU A 85 6.943 19.615 1.661 1.00 0.00 C ATOM 1327 C LEU A 85 6.461 19.294 3.078 1.00 0.00 C ATOM 1328 O LEU A 85 6.220 18.150 3.415 1.00 0.00 O ATOM 1329 CB LEU A 85 5.830 19.295 0.660 1.00 0.00 C ATOM 1330 CG LEU A 85 6.107 20.019 -0.659 1.00 0.00 C ATOM 1331 CD1 LEU A 85 6.885 19.094 -1.596 1.00 0.00 C ATOM 1332 CD2 LEU A 85 4.780 20.409 -1.314 1.00 0.00 C ATOM 0 H LEU A 85 8.098 17.820 1.651 1.00 0.00 H new ATOM 0 HA LEU A 85 7.199 20.672 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.775 18.219 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.865 19.605 1.061 1.00 0.00 H new ATOM 0 HG LEU A 85 6.695 20.916 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.082 19.610 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.830 18.815 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.298 18.197 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.976 20.925 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.193 19.512 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.225 21.069 -0.647 1.00 0.00 H new ATOM 1344 N GLU A 86 6.320 20.297 3.905 1.00 0.00 N ATOM 1345 CA GLU A 86 5.854 20.062 5.304 1.00 0.00 C ATOM 1346 C GLU A 86 4.330 20.176 5.360 1.00 0.00 C ATOM 1347 O GLU A 86 3.653 19.312 5.886 1.00 0.00 O ATOM 1348 CB GLU A 86 6.479 21.106 6.233 1.00 0.00 C ATOM 1349 CG GLU A 86 7.830 20.598 6.738 1.00 0.00 C ATOM 1350 CD GLU A 86 8.594 21.748 7.396 1.00 0.00 C ATOM 1351 OE1 GLU A 86 9.193 22.526 6.672 1.00 0.00 O ATOM 1352 OE2 GLU A 86 8.567 21.832 8.613 1.00 0.00 O ATOM 0 H GLU A 86 6.508 21.272 3.671 1.00 0.00 H new ATOM 0 HA GLU A 86 6.155 19.065 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.609 22.049 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.815 21.303 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.682 19.789 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.409 20.189 5.910 1.00 0.00 H new ATOM 1359 N LYS A 87 3.786 21.236 4.819 1.00 0.00 N ATOM 1360 CA LYS A 87 2.305 21.417 4.834 1.00 0.00 C ATOM 1361 C LYS A 87 1.903 22.427 3.757 1.00 0.00 C ATOM 1362 O LYS A 87 2.536 22.436 2.715 1.00 0.00 O ATOM 1363 CB LYS A 87 1.868 21.933 6.207 1.00 0.00 C ATOM 1364 CG LYS A 87 2.661 23.194 6.556 1.00 0.00 C ATOM 1365 CD LYS A 87 1.810 24.103 7.446 1.00 0.00 C ATOM 1366 CE LYS A 87 2.184 25.564 7.189 1.00 0.00 C ATOM 1367 NZ LYS A 87 1.493 26.044 5.959 1.00 0.00 N ATOM 0 H LYS A 87 4.307 21.987 4.366 1.00 0.00 H new ATOM 0 HA LYS A 87 1.820 20.461 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.800 22.152 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.032 21.166 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.584 22.925 7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.945 23.721 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.752 23.946 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.969 23.855 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.899 26.179 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.264 25.659 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.983 26.885 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.505 25.294 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.508 26.289 6.187 1.00 0.00 H new TER 1381 LYS A 87