USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= -0.0303 (180deg=-0.334) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= -1.1 (180deg=-3.24!) USER MOD Single : A 45 GLN : amide:sc= -0.0806 K(o=-0.081,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot 179:sc= 0.767 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.14) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -9.92! C(o=-9.9!,f=-29!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 15:sc= 0.503 USER MOD Single : A 78 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-13!) USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000368 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -2.05 K(o=-2,f=-8.7!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.332 K(o=-0.33,f=-4.2!) USER MOD Single : A 100 LYS NZ :NH3+ -128:sc= 0.217 (180deg=-0.421) USER MOD Single : A 101 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.089) USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= -0.0629 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -2.057 -3.078 -21.410 1.00 0.00 N ATOM 2 CA GLY A 29 -2.454 -3.418 -20.057 1.00 0.00 C ATOM 3 C GLY A 29 -1.325 -4.039 -19.259 1.00 0.00 C ATOM 4 O GLY A 29 -0.155 -3.725 -19.479 1.00 0.00 O ATOM 0 HA2 GLY A 29 -2.803 -2.520 -19.548 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.294 -4.112 -20.092 1.00 0.00 H new ATOM 8 N SER A 30 -1.674 -4.923 -18.330 1.00 0.00 N ATOM 9 CA SER A 30 -0.681 -5.585 -17.493 1.00 0.00 C ATOM 10 C SER A 30 -0.358 -6.976 -18.031 1.00 0.00 C ATOM 11 O SER A 30 -1.236 -7.832 -18.138 1.00 0.00 O ATOM 12 CB SER A 30 -1.183 -5.688 -16.052 1.00 0.00 C ATOM 13 OG SER A 30 -1.225 -4.413 -15.435 1.00 0.00 O ATOM 0 H SER A 30 -2.637 -5.197 -18.138 1.00 0.00 H new ATOM 0 HA SER A 30 0.230 -4.986 -17.511 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.178 -6.134 -16.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.531 -6.350 -15.483 1.00 0.00 H new ATOM 0 HG SER A 30 -1.551 -4.505 -14.515 1.00 0.00 H new ATOM 19 N SER A 31 0.909 -7.194 -18.368 1.00 0.00 N ATOM 20 CA SER A 31 1.349 -8.479 -18.899 1.00 0.00 C ATOM 21 C SER A 31 1.304 -9.557 -17.819 1.00 0.00 C ATOM 22 O SER A 31 0.698 -10.611 -18.004 1.00 0.00 O ATOM 23 CB SER A 31 2.767 -8.364 -19.461 1.00 0.00 C ATOM 24 OG SER A 31 3.193 -9.593 -20.025 1.00 0.00 O ATOM 0 H SER A 31 1.649 -6.497 -18.283 1.00 0.00 H new ATOM 0 HA SER A 31 0.669 -8.764 -19.702 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.799 -7.582 -20.219 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.453 -8.067 -18.668 1.00 0.00 H new ATOM 0 HG SER A 31 4.101 -9.493 -20.379 1.00 0.00 H new ATOM 30 N GLY A 32 1.950 -9.282 -16.690 1.00 0.00 N ATOM 31 CA GLY A 32 1.972 -10.237 -15.597 1.00 0.00 C ATOM 32 C GLY A 32 2.368 -9.600 -14.280 1.00 0.00 C ATOM 33 O GLY A 32 3.348 -10.006 -13.656 1.00 0.00 O ATOM 0 H GLY A 32 2.458 -8.416 -16.513 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.987 -10.692 -15.496 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.670 -11.040 -15.834 1.00 0.00 H new ATOM 37 N SER A 33 1.604 -8.598 -13.856 1.00 0.00 N ATOM 38 CA SER A 33 1.883 -7.900 -12.606 1.00 0.00 C ATOM 39 C SER A 33 0.724 -8.056 -11.626 1.00 0.00 C ATOM 40 O SER A 33 -0.256 -7.313 -11.684 1.00 0.00 O ATOM 41 CB SER A 33 2.144 -6.416 -12.873 1.00 0.00 C ATOM 42 OG SER A 33 2.474 -5.733 -11.677 1.00 0.00 O ATOM 0 H SER A 33 0.787 -8.251 -14.359 1.00 0.00 H new ATOM 0 HA SER A 33 2.774 -8.344 -12.162 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.956 -6.310 -13.592 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.260 -5.963 -13.322 1.00 0.00 H new ATOM 0 HG SER A 33 2.638 -4.787 -11.875 1.00 0.00 H new ATOM 48 N SER A 34 0.844 -9.028 -10.727 1.00 0.00 N ATOM 49 CA SER A 34 -0.195 -9.285 -9.737 1.00 0.00 C ATOM 50 C SER A 34 0.062 -8.488 -8.461 1.00 0.00 C ATOM 51 O SER A 34 0.890 -8.868 -7.635 1.00 0.00 O ATOM 52 CB SER A 34 -0.263 -10.779 -9.414 1.00 0.00 C ATOM 53 OG SER A 34 -1.054 -11.016 -8.263 1.00 0.00 O ATOM 0 H SER A 34 1.650 -9.650 -10.664 1.00 0.00 H new ATOM 0 HA SER A 34 -1.150 -8.968 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.680 -11.319 -10.264 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.743 -11.166 -9.254 1.00 0.00 H new ATOM 0 HG SER A 34 -1.083 -11.978 -8.078 1.00 0.00 H new ATOM 59 N GLY A 35 -0.656 -7.379 -8.309 1.00 0.00 N ATOM 60 CA GLY A 35 -0.492 -6.545 -7.132 1.00 0.00 C ATOM 61 C GLY A 35 -1.203 -7.110 -5.918 1.00 0.00 C ATOM 62 O GLY A 35 -1.794 -8.189 -5.981 1.00 0.00 O ATOM 0 H GLY A 35 -1.348 -7.043 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.570 -6.439 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.875 -5.546 -7.342 1.00 0.00 H new ATOM 66 N HIS A 36 -1.146 -6.380 -4.809 1.00 0.00 N ATOM 67 CA HIS A 36 -1.789 -6.815 -3.574 1.00 0.00 C ATOM 68 C HIS A 36 -3.282 -7.044 -3.790 1.00 0.00 C ATOM 69 O HIS A 36 -3.812 -6.775 -4.868 1.00 0.00 O ATOM 70 CB HIS A 36 -1.575 -5.778 -2.470 1.00 0.00 C ATOM 71 CG HIS A 36 -0.163 -5.712 -1.976 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.170 -5.770 -0.639 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.006 -5.594 -2.648 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.482 -5.689 -0.510 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.013 -5.581 -1.715 1.00 0.00 N ATOM 0 H HIS A 36 -0.662 -5.485 -4.740 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.335 -7.758 -3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.867 -4.796 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.234 -6.009 -1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.125 -5.523 -3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.028 -5.708 0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.009 -5.501 -1.919 1.00 0.00 H new ATOM 83 N LYS A 37 -3.954 -7.544 -2.758 1.00 0.00 N ATOM 84 CA LYS A 37 -5.385 -7.810 -2.834 1.00 0.00 C ATOM 85 C LYS A 37 -6.187 -6.521 -2.688 1.00 0.00 C ATOM 86 O LYS A 37 -7.179 -6.474 -1.960 1.00 0.00 O ATOM 87 CB LYS A 37 -5.798 -8.806 -1.748 1.00 0.00 C ATOM 88 CG LYS A 37 -5.270 -10.211 -1.978 1.00 0.00 C ATOM 89 CD LYS A 37 -5.967 -10.885 -3.148 1.00 0.00 C ATOM 90 CE LYS A 37 -5.982 -12.397 -2.992 1.00 0.00 C ATOM 91 NZ LYS A 37 -6.865 -12.831 -1.874 1.00 0.00 N ATOM 0 H LYS A 37 -3.530 -7.773 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.597 -8.240 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.441 -8.447 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.886 -8.840 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.197 -10.171 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.413 -10.806 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.990 -10.516 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.461 -10.619 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.321 -12.855 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.968 -12.754 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.148 -13.821 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.352 -12.746 -0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.713 -12.229 -1.848 1.00 0.00 H new ATOM 105 N PHE A 38 -5.751 -5.476 -3.384 1.00 0.00 N ATOM 106 CA PHE A 38 -6.429 -4.186 -3.332 1.00 0.00 C ATOM 107 C PHE A 38 -7.923 -4.345 -3.597 1.00 0.00 C ATOM 108 O PHE A 38 -8.330 -5.048 -4.523 1.00 0.00 O ATOM 109 CB PHE A 38 -5.818 -3.223 -4.352 1.00 0.00 C ATOM 110 CG PHE A 38 -4.433 -2.767 -3.991 1.00 0.00 C ATOM 111 CD1 PHE A 38 -4.211 -2.028 -2.840 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.354 -3.076 -4.803 1.00 0.00 C ATOM 113 CE1 PHE A 38 -2.938 -1.606 -2.505 1.00 0.00 C ATOM 114 CE2 PHE A 38 -2.079 -2.657 -4.473 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.871 -1.921 -3.323 1.00 0.00 C ATOM 0 H PHE A 38 -4.931 -5.497 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.298 -3.775 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.789 -3.709 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.465 -2.351 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.042 -1.779 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.511 -3.651 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.778 -1.031 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.246 -2.905 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.875 -1.592 -3.064 1.00 0.00 H new ATOM 125 N THR A 39 -8.737 -3.687 -2.778 1.00 0.00 N ATOM 126 CA THR A 39 -10.186 -3.756 -2.921 1.00 0.00 C ATOM 127 C THR A 39 -10.824 -2.387 -2.715 1.00 0.00 C ATOM 128 O THR A 39 -10.638 -1.755 -1.676 1.00 0.00 O ATOM 129 CB THR A 39 -10.802 -4.754 -1.923 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.230 -4.650 -1.946 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.293 -4.494 -0.514 1.00 0.00 C ATOM 0 H THR A 39 -8.417 -3.100 -2.008 1.00 0.00 H new ATOM 0 HA THR A 39 -10.388 -4.098 -3.936 1.00 0.00 H new ATOM 0 HB THR A 39 -10.506 -5.760 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.615 -5.289 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.742 -5.211 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.209 -4.602 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.563 -3.483 -0.210 1.00 0.00 H new ATOM 139 N ALA A 40 -11.579 -1.935 -3.711 1.00 0.00 N ATOM 140 CA ALA A 40 -12.248 -0.642 -3.637 1.00 0.00 C ATOM 141 C ALA A 40 -13.151 -0.561 -2.411 1.00 0.00 C ATOM 142 O ALA A 40 -14.055 -1.380 -2.238 1.00 0.00 O ATOM 143 CB ALA A 40 -13.051 -0.390 -4.904 1.00 0.00 C ATOM 0 H ALA A 40 -11.743 -2.445 -4.579 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.484 0.130 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.545 0.579 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.383 -0.396 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.801 -1.172 -5.021 1.00 0.00 H new ATOM 149 N ARG A 41 -12.901 0.430 -1.562 1.00 0.00 N ATOM 150 CA ARG A 41 -13.691 0.617 -0.351 1.00 0.00 C ATOM 151 C ARG A 41 -13.648 2.071 0.108 1.00 0.00 C ATOM 152 O ARG A 41 -12.596 2.710 0.085 1.00 0.00 O ATOM 153 CB ARG A 41 -13.178 -0.296 0.764 1.00 0.00 C ATOM 154 CG ARG A 41 -11.734 -0.027 1.156 1.00 0.00 C ATOM 155 CD ARG A 41 -11.180 -1.135 2.037 1.00 0.00 C ATOM 156 NE ARG A 41 -11.834 -1.176 3.342 1.00 0.00 N ATOM 157 CZ ARG A 41 -11.957 -2.282 4.068 1.00 0.00 C ATOM 158 NH1 ARG A 41 -11.473 -3.431 3.618 1.00 0.00 N ATOM 159 NH2 ARG A 41 -12.565 -2.239 5.246 1.00 0.00 N ATOM 0 H ARG A 41 -12.157 1.116 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.725 0.357 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.812 -0.175 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.271 -1.334 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.123 0.065 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.670 0.925 1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.309 -2.095 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.109 -0.988 2.173 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.217 -0.308 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.005 -3.468 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.569 -4.279 4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.939 -1.356 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.659 -3.088 5.803 1.00 0.00 H new ATOM 173 N PHE A 42 -14.799 2.589 0.524 1.00 0.00 N ATOM 174 CA PHE A 42 -14.893 3.969 0.987 1.00 0.00 C ATOM 175 C PHE A 42 -14.158 4.150 2.312 1.00 0.00 C ATOM 176 O PHE A 42 -14.059 3.219 3.112 1.00 0.00 O ATOM 177 CB PHE A 42 -16.360 4.377 1.145 1.00 0.00 C ATOM 178 CG PHE A 42 -17.170 3.402 1.951 1.00 0.00 C ATOM 179 CD1 PHE A 42 -17.263 3.530 3.327 1.00 0.00 C ATOM 180 CD2 PHE A 42 -17.837 2.358 1.331 1.00 0.00 C ATOM 181 CE1 PHE A 42 -18.009 2.635 4.071 1.00 0.00 C ATOM 182 CE2 PHE A 42 -18.584 1.460 2.070 1.00 0.00 C ATOM 183 CZ PHE A 42 -18.669 1.598 3.442 1.00 0.00 C ATOM 0 H PHE A 42 -15.679 2.074 0.550 1.00 0.00 H new ATOM 0 HA PHE A 42 -14.423 4.609 0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.407 5.357 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.809 4.480 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.747 4.338 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.773 2.245 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.076 2.747 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.101 0.651 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.251 0.896 4.021 1.00 0.00 H new ATOM 193 N PHE A 43 -13.643 5.354 2.536 1.00 0.00 N ATOM 194 CA PHE A 43 -12.914 5.658 3.762 1.00 0.00 C ATOM 195 C PHE A 43 -13.494 6.892 4.447 1.00 0.00 C ATOM 196 O PHE A 43 -13.228 8.024 4.042 1.00 0.00 O ATOM 197 CB PHE A 43 -11.431 5.879 3.458 1.00 0.00 C ATOM 198 CG PHE A 43 -10.665 4.603 3.253 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.306 3.814 4.334 1.00 0.00 C ATOM 200 CD2 PHE A 43 -10.304 4.194 1.980 1.00 0.00 C ATOM 201 CE1 PHE A 43 -9.601 2.639 4.148 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.600 3.020 1.788 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.247 2.242 2.874 1.00 0.00 C ATOM 0 H PHE A 43 -13.717 6.135 1.885 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.016 4.808 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.339 6.496 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.979 6.437 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.580 4.120 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.576 4.799 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.328 2.032 4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.326 2.711 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.695 1.325 2.727 1.00 0.00 H new ATOM 213 N LYS A 44 -14.288 6.665 5.488 1.00 0.00 N ATOM 214 CA LYS A 44 -14.906 7.757 6.232 1.00 0.00 C ATOM 215 C LYS A 44 -13.846 8.684 6.819 1.00 0.00 C ATOM 216 O LYS A 44 -13.931 9.904 6.680 1.00 0.00 O ATOM 217 CB LYS A 44 -15.790 7.202 7.351 1.00 0.00 C ATOM 218 CG LYS A 44 -16.471 8.279 8.178 1.00 0.00 C ATOM 219 CD LYS A 44 -17.654 8.884 7.440 1.00 0.00 C ATOM 220 CE LYS A 44 -18.864 7.962 7.476 1.00 0.00 C ATOM 221 NZ LYS A 44 -18.824 6.952 6.383 1.00 0.00 N ATOM 0 H LYS A 44 -14.519 5.734 5.836 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.523 8.331 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.551 6.555 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.182 6.580 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.809 7.854 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.753 9.062 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.912 9.843 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.376 9.081 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.905 7.453 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.775 8.555 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.765 6.876 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.131 7.245 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.548 6.028 6.774 1.00 0.00 H new ATOM 235 N GLN A 45 -12.849 8.097 7.473 1.00 0.00 N ATOM 236 CA GLN A 45 -11.773 8.871 8.079 1.00 0.00 C ATOM 237 C GLN A 45 -10.591 9.000 7.125 1.00 0.00 C ATOM 238 O GLN A 45 -10.462 8.255 6.153 1.00 0.00 O ATOM 239 CB GLN A 45 -11.320 8.218 9.386 1.00 0.00 C ATOM 240 CG GLN A 45 -12.048 8.743 10.613 1.00 0.00 C ATOM 241 CD GLN A 45 -13.288 7.937 10.946 1.00 0.00 C ATOM 242 OE1 GLN A 45 -13.645 7.001 10.229 1.00 0.00 O ATOM 243 NE2 GLN A 45 -13.952 8.295 12.038 1.00 0.00 N ATOM 0 H GLN A 45 -12.764 7.088 7.597 1.00 0.00 H new ATOM 0 HA GLN A 45 -12.154 9.870 8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.473 7.141 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.250 8.381 9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.370 8.729 11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.329 9.783 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.621 9.077 12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.794 7.788 12.312 1.00 0.00 H new ATOM 252 N PRO A 46 -9.706 9.968 7.406 1.00 0.00 N ATOM 253 CA PRO A 46 -8.518 10.218 6.584 1.00 0.00 C ATOM 254 C PRO A 46 -7.484 9.103 6.705 1.00 0.00 C ATOM 255 O PRO A 46 -6.885 8.909 7.764 1.00 0.00 O ATOM 256 CB PRO A 46 -7.962 11.526 7.152 1.00 0.00 C ATOM 257 CG PRO A 46 -8.452 11.567 8.558 1.00 0.00 C ATOM 258 CD PRO A 46 -9.796 10.893 8.548 1.00 0.00 C ATOM 0 HA PRO A 46 -8.760 10.267 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.873 11.544 7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.316 12.386 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.762 11.052 9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.533 12.594 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.986 10.362 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.605 11.612 8.420 1.00 0.00 H new ATOM 266 N THR A 47 -7.279 8.371 5.614 1.00 0.00 N ATOM 267 CA THR A 47 -6.319 7.275 5.599 1.00 0.00 C ATOM 268 C THR A 47 -4.934 7.763 5.190 1.00 0.00 C ATOM 269 O THR A 47 -4.802 8.732 4.442 1.00 0.00 O ATOM 270 CB THR A 47 -6.760 6.155 4.637 1.00 0.00 C ATOM 271 OG1 THR A 47 -8.110 5.769 4.921 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.845 4.946 4.759 1.00 0.00 C ATOM 0 H THR A 47 -7.765 8.518 4.730 1.00 0.00 H new ATOM 0 HA THR A 47 -6.277 6.878 6.613 1.00 0.00 H new ATOM 0 HB THR A 47 -6.698 6.536 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.389 5.070 4.294 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.176 4.168 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.823 5.237 4.514 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.879 4.565 5.780 1.00 0.00 H new ATOM 280 N PHE A 48 -3.903 7.086 5.685 1.00 0.00 N ATOM 281 CA PHE A 48 -2.527 7.451 5.372 1.00 0.00 C ATOM 282 C PHE A 48 -1.938 6.508 4.326 1.00 0.00 C ATOM 283 O PHE A 48 -1.964 5.288 4.489 1.00 0.00 O ATOM 284 CB PHE A 48 -1.669 7.426 6.638 1.00 0.00 C ATOM 285 CG PHE A 48 -0.192 7.449 6.363 1.00 0.00 C ATOM 286 CD1 PHE A 48 0.510 6.269 6.176 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.494 8.651 6.290 1.00 0.00 C ATOM 288 CE1 PHE A 48 1.868 6.287 5.922 1.00 0.00 C ATOM 289 CE2 PHE A 48 1.852 8.675 6.036 1.00 0.00 C ATOM 290 CZ PHE A 48 2.540 7.492 5.853 1.00 0.00 C ATOM 0 H PHE A 48 -3.995 6.281 6.305 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.530 8.462 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.928 8.283 7.260 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.909 6.531 7.212 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.010 5.324 6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.039 9.579 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.403 5.360 5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.375 9.618 5.981 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.602 7.509 5.656 1.00 0.00 H new ATOM 300 N CYS A 49 -1.408 7.083 3.252 1.00 0.00 N ATOM 301 CA CYS A 49 -0.814 6.296 2.178 1.00 0.00 C ATOM 302 C CYS A 49 0.578 5.807 2.568 1.00 0.00 C ATOM 303 O CYS A 49 1.505 6.602 2.727 1.00 0.00 O ATOM 304 CB CYS A 49 -0.734 7.124 0.894 1.00 0.00 C ATOM 305 SG CYS A 49 -0.215 6.175 -0.572 1.00 0.00 S ATOM 0 H CYS A 49 -1.378 8.091 3.102 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.450 5.428 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.710 7.568 0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.035 7.946 1.048 1.00 0.00 H new ATOM 310 N SER A 50 0.717 4.494 2.721 1.00 0.00 N ATOM 311 CA SER A 50 1.994 3.899 3.096 1.00 0.00 C ATOM 312 C SER A 50 2.908 3.763 1.882 1.00 0.00 C ATOM 313 O SER A 50 3.637 2.780 1.746 1.00 0.00 O ATOM 314 CB SER A 50 1.774 2.528 3.739 1.00 0.00 C ATOM 315 OG SER A 50 2.835 2.200 4.619 1.00 0.00 O ATOM 0 H SER A 50 -0.039 3.822 2.591 1.00 0.00 H new ATOM 0 HA SER A 50 2.475 4.558 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.831 2.527 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.694 1.768 2.962 1.00 0.00 H new ATOM 0 HG SER A 50 2.669 1.320 5.018 1.00 0.00 H new ATOM 321 N HIS A 51 2.863 4.757 1.001 1.00 0.00 N ATOM 322 CA HIS A 51 3.686 4.750 -0.203 1.00 0.00 C ATOM 323 C HIS A 51 4.371 6.099 -0.400 1.00 0.00 C ATOM 324 O HIS A 51 5.577 6.165 -0.642 1.00 0.00 O ATOM 325 CB HIS A 51 2.834 4.414 -1.427 1.00 0.00 C ATOM 326 CG HIS A 51 3.602 4.427 -2.713 1.00 0.00 C ATOM 327 ND1 HIS A 51 3.931 3.281 -3.405 1.00 0.00 N ATOM 328 CD2 HIS A 51 4.104 5.457 -3.434 1.00 0.00 C ATOM 329 CE1 HIS A 51 4.604 3.605 -4.494 1.00 0.00 C ATOM 330 NE2 HIS A 51 4.722 4.920 -4.536 1.00 0.00 N ATOM 0 H HIS A 51 2.265 5.578 1.098 1.00 0.00 H new ATOM 0 HA HIS A 51 4.454 3.986 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.388 3.429 -1.290 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.014 5.129 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.032 6.506 -3.188 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.992 2.912 -5.226 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.195 5.450 -5.268 1.00 0.00 H new ATOM 338 N CYS A 52 3.595 7.172 -0.297 1.00 0.00 N ATOM 339 CA CYS A 52 4.126 8.520 -0.465 1.00 0.00 C ATOM 340 C CYS A 52 3.917 9.348 0.800 1.00 0.00 C ATOM 341 O CYS A 52 3.863 10.578 0.749 1.00 0.00 O ATOM 342 CB CYS A 52 3.457 9.209 -1.656 1.00 0.00 C ATOM 343 SG CYS A 52 1.642 9.303 -1.537 1.00 0.00 S ATOM 0 H CYS A 52 2.595 7.135 -0.098 1.00 0.00 H new ATOM 0 HA CYS A 52 5.197 8.442 -0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.857 10.219 -1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.723 8.675 -2.568 1.00 0.00 H new ATOM 348 N THR A 53 3.799 8.666 1.935 1.00 0.00 N ATOM 349 CA THR A 53 3.596 9.338 3.212 1.00 0.00 C ATOM 350 C THR A 53 2.675 10.543 3.059 1.00 0.00 C ATOM 351 O THR A 53 2.970 11.629 3.558 1.00 0.00 O ATOM 352 CB THR A 53 4.932 9.801 3.823 1.00 0.00 C ATOM 353 OG1 THR A 53 5.635 10.630 2.891 1.00 0.00 O ATOM 354 CG2 THR A 53 5.796 8.608 4.201 1.00 0.00 C ATOM 0 H THR A 53 3.841 7.649 1.996 1.00 0.00 H new ATOM 0 HA THR A 53 3.132 8.612 3.880 1.00 0.00 H new ATOM 0 HB THR A 53 4.715 10.373 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.483 10.922 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.734 8.960 4.630 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.270 7.995 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.004 8.013 3.312 1.00 0.00 H new ATOM 362 N ASP A 54 1.559 10.345 2.367 1.00 0.00 N ATOM 363 CA ASP A 54 0.593 11.416 2.149 1.00 0.00 C ATOM 364 C ASP A 54 -0.821 10.949 2.482 1.00 0.00 C ATOM 365 O ASP A 54 -1.082 9.750 2.581 1.00 0.00 O ATOM 366 CB ASP A 54 0.656 11.902 0.701 1.00 0.00 C ATOM 367 CG ASP A 54 -0.412 12.932 0.388 1.00 0.00 C ATOM 368 OD1 ASP A 54 -0.351 14.042 0.958 1.00 0.00 O ATOM 369 OD2 ASP A 54 -1.308 12.628 -0.426 1.00 0.00 O ATOM 0 H ASP A 54 1.300 9.452 1.947 1.00 0.00 H new ATOM 0 HA ASP A 54 0.848 12.243 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.639 12.332 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.543 11.051 0.030 1.00 0.00 H new ATOM 374 N PHE A 55 -1.729 11.904 2.653 1.00 0.00 N ATOM 375 CA PHE A 55 -3.116 11.590 2.976 1.00 0.00 C ATOM 376 C PHE A 55 -3.878 11.149 1.730 1.00 0.00 C ATOM 377 O PHE A 55 -3.572 11.579 0.618 1.00 0.00 O ATOM 378 CB PHE A 55 -3.802 12.805 3.604 1.00 0.00 C ATOM 379 CG PHE A 55 -3.571 14.082 2.849 1.00 0.00 C ATOM 380 CD1 PHE A 55 -4.406 14.446 1.804 1.00 0.00 C ATOM 381 CD2 PHE A 55 -2.518 14.919 3.182 1.00 0.00 C ATOM 382 CE1 PHE A 55 -4.196 15.620 1.107 1.00 0.00 C ATOM 383 CE2 PHE A 55 -2.303 16.095 2.488 1.00 0.00 C ATOM 384 CZ PHE A 55 -3.142 16.445 1.449 1.00 0.00 C ATOM 0 H PHE A 55 -1.530 12.901 2.573 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.120 10.768 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.874 12.616 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.443 12.927 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.231 13.804 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.858 14.649 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.855 15.893 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.480 16.739 2.758 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.975 17.362 0.904 1.00 0.00 H new ATOM 394 N ILE A 56 -4.872 10.289 1.925 1.00 0.00 N ATOM 395 CA ILE A 56 -5.678 9.790 0.819 1.00 0.00 C ATOM 396 C ILE A 56 -7.008 10.531 0.729 1.00 0.00 C ATOM 397 O ILE A 56 -7.436 10.928 -0.355 1.00 0.00 O ATOM 398 CB ILE A 56 -5.954 8.281 0.958 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.641 7.495 0.922 1.00 0.00 C ATOM 400 CG2 ILE A 56 -6.890 7.809 -0.144 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.762 6.091 1.471 1.00 0.00 C ATOM 0 H ILE A 56 -5.138 9.923 2.839 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.105 9.964 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.437 8.102 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.285 7.445 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.887 8.036 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.075 6.741 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.834 8.350 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.433 7.998 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.794 5.593 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.088 6.134 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.492 5.533 0.885 1.00 0.00 H new ATOM 413 N TRP A 57 -7.654 10.716 1.874 1.00 0.00 N ATOM 414 CA TRP A 57 -8.935 11.412 1.925 1.00 0.00 C ATOM 415 C TRP A 57 -8.826 12.798 1.299 1.00 0.00 C ATOM 416 O TRP A 57 -9.622 13.164 0.436 1.00 0.00 O ATOM 417 CB TRP A 57 -9.418 11.529 3.372 1.00 0.00 C ATOM 418 CG TRP A 57 -10.656 12.360 3.519 1.00 0.00 C ATOM 419 CD1 TRP A 57 -10.721 13.682 3.857 1.00 0.00 C ATOM 420 CD2 TRP A 57 -12.007 11.924 3.335 1.00 0.00 C ATOM 421 NE1 TRP A 57 -12.031 14.094 3.895 1.00 0.00 N ATOM 422 CE2 TRP A 57 -12.840 13.035 3.577 1.00 0.00 C ATOM 423 CE3 TRP A 57 -12.595 10.705 2.987 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -14.227 12.959 3.483 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -13.972 10.632 2.895 1.00 0.00 C ATOM 426 CH2 TRP A 57 -14.775 11.753 3.141 1.00 0.00 C ATOM 0 H TRP A 57 -7.312 10.394 2.780 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.659 10.831 1.354 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.610 10.531 3.765 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.623 11.963 3.979 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.868 14.311 4.064 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.350 15.036 4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -11.984 9.836 2.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.848 13.822 3.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.437 9.694 2.629 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.848 11.664 3.059 1.00 0.00 H new ATOM 437 N GLY A 58 -7.834 13.566 1.740 1.00 0.00 N ATOM 438 CA GLY A 58 -7.640 14.904 1.211 1.00 0.00 C ATOM 439 C GLY A 58 -8.919 15.718 1.209 1.00 0.00 C ATOM 440 O GLY A 58 -9.320 16.258 2.241 1.00 0.00 O ATOM 0 H GLY A 58 -7.161 13.286 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.885 15.420 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.254 14.837 0.194 1.00 0.00 H new ATOM 444 N ILE A 59 -9.560 15.807 0.049 1.00 0.00 N ATOM 445 CA ILE A 59 -10.800 16.562 -0.082 1.00 0.00 C ATOM 446 C ILE A 59 -11.951 15.658 -0.514 1.00 0.00 C ATOM 447 O ILE A 59 -13.063 15.762 0.001 1.00 0.00 O ATOM 448 CB ILE A 59 -10.656 17.711 -1.097 1.00 0.00 C ATOM 449 CG1 ILE A 59 -11.952 18.520 -1.173 1.00 0.00 C ATOM 450 CG2 ILE A 59 -10.285 17.164 -2.467 1.00 0.00 C ATOM 451 CD1 ILE A 59 -11.743 19.960 -1.583 1.00 0.00 C ATOM 0 H ILE A 59 -9.241 15.366 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.019 16.982 0.900 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.857 18.373 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -12.627 18.043 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -12.443 18.495 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.187 17.988 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.338 16.628 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.064 16.483 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.705 20.472 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.093 20.454 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -11.280 19.994 -2.569 1.00 0.00 H new ATOM 463 N GLY A 60 -11.674 14.770 -1.464 1.00 0.00 N ATOM 464 CA GLY A 60 -12.694 13.859 -1.948 1.00 0.00 C ATOM 465 C GLY A 60 -12.121 12.750 -2.808 1.00 0.00 C ATOM 466 O GLY A 60 -12.428 12.654 -3.997 1.00 0.00 O ATOM 0 H GLY A 60 -10.761 14.666 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.218 13.421 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.431 14.417 -2.525 1.00 0.00 H new ATOM 470 N LYS A 61 -11.285 11.910 -2.207 1.00 0.00 N ATOM 471 CA LYS A 61 -10.667 10.802 -2.925 1.00 0.00 C ATOM 472 C LYS A 61 -10.676 9.533 -2.078 1.00 0.00 C ATOM 473 O LYS A 61 -10.859 9.589 -0.863 1.00 0.00 O ATOM 474 CB LYS A 61 -9.230 11.158 -3.313 1.00 0.00 C ATOM 475 CG LYS A 61 -8.781 10.531 -4.622 1.00 0.00 C ATOM 476 CD LYS A 61 -7.278 10.311 -4.649 1.00 0.00 C ATOM 477 CE LYS A 61 -6.899 9.159 -5.567 1.00 0.00 C ATOM 478 NZ LYS A 61 -6.753 9.603 -6.981 1.00 0.00 N ATOM 0 H LYS A 61 -11.020 11.976 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.247 10.619 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.141 12.242 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.558 10.838 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.292 9.578 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.070 11.175 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.782 11.222 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.921 10.106 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.963 8.716 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.660 8.381 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.494 8.790 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.653 10.003 -7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.009 10.327 -7.042 1.00 0.00 H new ATOM 492 N GLN A 62 -10.477 8.391 -2.729 1.00 0.00 N ATOM 493 CA GLN A 62 -10.462 7.109 -2.035 1.00 0.00 C ATOM 494 C GLN A 62 -9.218 6.307 -2.400 1.00 0.00 C ATOM 495 O GLN A 62 -8.529 6.618 -3.371 1.00 0.00 O ATOM 496 CB GLN A 62 -11.719 6.306 -2.376 1.00 0.00 C ATOM 497 CG GLN A 62 -11.729 5.764 -3.796 1.00 0.00 C ATOM 498 CD GLN A 62 -12.782 4.694 -4.005 1.00 0.00 C ATOM 499 OE1 GLN A 62 -12.618 3.552 -3.573 1.00 0.00 O ATOM 500 NE2 GLN A 62 -13.872 5.058 -4.671 1.00 0.00 N ATOM 0 H GLN A 62 -10.324 8.328 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.444 7.305 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.809 5.474 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.595 6.939 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.906 6.584 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.747 5.353 -4.031 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.966 6.015 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.615 4.380 -4.842 1.00 0.00 H new ATOM 509 N GLY A 63 -8.935 5.272 -1.614 1.00 0.00 N ATOM 510 CA GLY A 63 -7.773 4.442 -1.871 1.00 0.00 C ATOM 511 C GLY A 63 -8.116 2.967 -1.931 1.00 0.00 C ATOM 512 O GLY A 63 -9.279 2.599 -2.108 1.00 0.00 O ATOM 0 H GLY A 63 -9.490 4.994 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.316 4.744 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.032 4.608 -1.089 1.00 0.00 H new ATOM 516 N LEU A 64 -7.104 2.119 -1.786 1.00 0.00 N ATOM 517 CA LEU A 64 -7.304 0.674 -1.827 1.00 0.00 C ATOM 518 C LEU A 64 -6.469 -0.022 -0.757 1.00 0.00 C ATOM 519 O LEU A 64 -5.241 0.045 -0.774 1.00 0.00 O ATOM 520 CB LEU A 64 -6.941 0.128 -3.209 1.00 0.00 C ATOM 521 CG LEU A 64 -7.689 0.743 -4.392 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.876 0.601 -5.669 1.00 0.00 C ATOM 523 CD2 LEU A 64 -9.057 0.096 -4.553 1.00 0.00 C ATOM 0 H LEU A 64 -6.136 2.407 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.357 0.472 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.872 0.273 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.120 -0.947 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.833 1.805 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.424 1.044 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.920 1.112 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.700 -0.455 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.575 0.546 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.936 -0.973 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.642 0.251 -3.646 1.00 0.00 H new ATOM 535 N GLN A 65 -7.145 -0.690 0.172 1.00 0.00 N ATOM 536 CA GLN A 65 -6.465 -1.399 1.249 1.00 0.00 C ATOM 537 C GLN A 65 -6.263 -2.868 0.891 1.00 0.00 C ATOM 538 O GLN A 65 -7.117 -3.486 0.255 1.00 0.00 O ATOM 539 CB GLN A 65 -7.264 -1.284 2.549 1.00 0.00 C ATOM 540 CG GLN A 65 -6.598 -1.964 3.734 1.00 0.00 C ATOM 541 CD GLN A 65 -5.187 -1.465 3.977 1.00 0.00 C ATOM 542 OE1 GLN A 65 -4.256 -1.828 3.258 1.00 0.00 O ATOM 543 NE2 GLN A 65 -5.022 -0.628 4.994 1.00 0.00 N ATOM 0 H GLN A 65 -8.163 -0.755 0.200 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.486 -0.940 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.413 -0.230 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.252 -1.720 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.198 -1.796 4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.574 -3.040 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.822 -0.354 5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.095 -0.259 5.206 1.00 0.00 H new ATOM 552 N CYS A 66 -5.127 -3.421 1.304 1.00 0.00 N ATOM 553 CA CYS A 66 -4.811 -4.817 1.026 1.00 0.00 C ATOM 554 C CYS A 66 -5.341 -5.725 2.132 1.00 0.00 C ATOM 555 O CYS A 66 -5.164 -5.443 3.317 1.00 0.00 O ATOM 556 CB CYS A 66 -3.299 -5.001 0.881 1.00 0.00 C ATOM 557 SG CYS A 66 -2.761 -6.741 0.848 1.00 0.00 S ATOM 0 H CYS A 66 -4.410 -2.924 1.832 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.295 -5.093 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.971 -4.513 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.801 -4.494 1.707 1.00 0.00 H new ATOM 562 N GLN A 67 -5.991 -6.815 1.736 1.00 0.00 N ATOM 563 CA GLN A 67 -6.547 -7.763 2.693 1.00 0.00 C ATOM 564 C GLN A 67 -5.491 -8.771 3.136 1.00 0.00 C ATOM 565 O GLN A 67 -5.802 -9.929 3.416 1.00 0.00 O ATOM 566 CB GLN A 67 -7.743 -8.495 2.083 1.00 0.00 C ATOM 567 CG GLN A 67 -8.810 -7.563 1.533 1.00 0.00 C ATOM 568 CD GLN A 67 -10.172 -8.223 1.443 1.00 0.00 C ATOM 569 OE1 GLN A 67 -11.147 -7.743 2.023 1.00 0.00 O ATOM 570 NE2 GLN A 67 -10.247 -9.330 0.714 1.00 0.00 N ATOM 0 H GLN A 67 -6.145 -7.063 0.759 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.880 -7.204 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.391 -9.144 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.190 -9.138 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.879 -6.681 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.511 -7.219 0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.414 -9.693 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.138 -9.818 0.617 1.00 0.00 H new ATOM 579 N VAL A 68 -4.241 -8.323 3.198 1.00 0.00 N ATOM 580 CA VAL A 68 -3.139 -9.186 3.608 1.00 0.00 C ATOM 581 C VAL A 68 -2.226 -8.476 4.601 1.00 0.00 C ATOM 582 O VAL A 68 -2.113 -8.882 5.758 1.00 0.00 O ATOM 583 CB VAL A 68 -2.305 -9.644 2.397 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.287 -10.694 2.816 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.211 -10.178 1.298 1.00 0.00 C ATOM 0 H VAL A 68 -3.966 -7.368 2.970 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.582 -10.060 4.086 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.764 -8.783 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.707 -11.006 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.618 -10.273 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.805 -11.557 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.605 -10.497 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.781 -11.027 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.897 -9.393 0.979 1.00 0.00 H new ATOM 595 N CYS A 69 -1.574 -7.413 4.141 1.00 0.00 N ATOM 596 CA CYS A 69 -0.670 -6.645 4.988 1.00 0.00 C ATOM 597 C CYS A 69 -1.248 -5.266 5.292 1.00 0.00 C ATOM 598 O CYS A 69 -0.512 -4.320 5.571 1.00 0.00 O ATOM 599 CB CYS A 69 0.695 -6.500 4.312 1.00 0.00 C ATOM 600 SG CYS A 69 0.627 -5.757 2.650 1.00 0.00 S ATOM 0 H CYS A 69 -1.655 -7.064 3.186 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.548 -7.183 5.928 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.339 -5.890 4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.159 -7.484 4.240 1.00 0.00 H new ATOM 605 N SER A 70 -2.572 -5.160 5.236 1.00 0.00 N ATOM 606 CA SER A 70 -3.250 -3.897 5.501 1.00 0.00 C ATOM 607 C SER A 70 -2.500 -2.733 4.861 1.00 0.00 C ATOM 608 O SER A 70 -2.413 -1.646 5.433 1.00 0.00 O ATOM 609 CB SER A 70 -3.377 -3.669 7.009 1.00 0.00 C ATOM 610 OG SER A 70 -2.105 -3.662 7.633 1.00 0.00 O ATOM 0 H SER A 70 -3.196 -5.934 5.009 1.00 0.00 H new ATOM 0 HA SER A 70 -4.247 -3.949 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.882 -2.721 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.996 -4.452 7.447 1.00 0.00 H new ATOM 0 HG SER A 70 -1.407 -3.573 6.951 1.00 0.00 H new ATOM 616 N PHE A 71 -1.959 -2.969 3.670 1.00 0.00 N ATOM 617 CA PHE A 71 -1.215 -1.941 2.951 1.00 0.00 C ATOM 618 C PHE A 71 -2.135 -1.150 2.026 1.00 0.00 C ATOM 619 O PHE A 71 -2.492 -1.613 0.943 1.00 0.00 O ATOM 620 CB PHE A 71 -0.082 -2.575 2.142 1.00 0.00 C ATOM 621 CG PHE A 71 0.805 -1.570 1.463 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.884 -1.015 2.133 1.00 0.00 C ATOM 623 CD2 PHE A 71 0.560 -1.180 0.157 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.701 -0.090 1.511 1.00 0.00 C ATOM 625 CE2 PHE A 71 1.373 -0.256 -0.470 1.00 0.00 C ATOM 626 CZ PHE A 71 2.446 0.290 0.208 1.00 0.00 C ATOM 0 H PHE A 71 -2.022 -3.863 3.183 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.790 -1.255 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.524 -3.194 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.510 -3.237 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.088 -1.309 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.277 -1.604 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.539 0.336 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.170 0.039 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.084 1.012 -0.280 1.00 0.00 H new ATOM 636 N VAL A 72 -2.517 0.046 2.463 1.00 0.00 N ATOM 637 CA VAL A 72 -3.396 0.903 1.675 1.00 0.00 C ATOM 638 C VAL A 72 -2.619 2.052 1.043 1.00 0.00 C ATOM 639 O VAL A 72 -1.772 2.671 1.686 1.00 0.00 O ATOM 640 CB VAL A 72 -4.536 1.480 2.536 1.00 0.00 C ATOM 641 CG1 VAL A 72 -3.974 2.216 3.742 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.418 2.398 1.703 1.00 0.00 C ATOM 0 H VAL A 72 -2.232 0.443 3.358 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.824 0.281 0.888 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.149 0.655 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.794 2.617 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.388 1.526 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.337 3.034 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.218 2.797 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.819 3.220 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.849 1.835 0.875 1.00 0.00 H new ATOM 652 N VAL A 73 -2.915 2.333 -0.223 1.00 0.00 N ATOM 653 CA VAL A 73 -2.246 3.409 -0.943 1.00 0.00 C ATOM 654 C VAL A 73 -3.136 3.967 -2.048 1.00 0.00 C ATOM 655 O VAL A 73 -3.933 3.242 -2.643 1.00 0.00 O ATOM 656 CB VAL A 73 -0.918 2.931 -1.561 1.00 0.00 C ATOM 657 CG1 VAL A 73 0.043 2.476 -0.474 1.00 0.00 C ATOM 658 CG2 VAL A 73 -1.169 1.815 -2.564 1.00 0.00 C ATOM 0 H VAL A 73 -3.614 1.830 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.038 4.194 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.461 3.767 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.975 2.142 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.246 3.306 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.403 1.653 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.220 1.489 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.648 0.975 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.819 2.180 -3.360 1.00 0.00 H new ATOM 668 N HIS A 74 -2.994 5.261 -2.317 1.00 0.00 N ATOM 669 CA HIS A 74 -3.785 5.917 -3.353 1.00 0.00 C ATOM 670 C HIS A 74 -4.030 4.976 -4.528 1.00 0.00 C ATOM 671 O HIS A 74 -3.246 4.060 -4.775 1.00 0.00 O ATOM 672 CB HIS A 74 -3.080 7.185 -3.837 1.00 0.00 C ATOM 673 CG HIS A 74 -2.807 8.173 -2.745 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.544 8.640 -2.451 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.645 8.784 -1.875 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.616 9.495 -1.446 1.00 0.00 C ATOM 677 NE2 HIS A 74 -2.880 9.600 -1.078 1.00 0.00 N ATOM 0 H HIS A 74 -2.340 5.876 -1.833 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.749 6.189 -2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.137 6.909 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.693 7.662 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.716 8.654 -1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.783 10.019 -1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.231 10.191 -0.324 1.00 0.00 H new ATOM 685 N ARG A 75 -5.122 5.209 -5.249 1.00 0.00 N ATOM 686 CA ARG A 75 -5.470 4.381 -6.397 1.00 0.00 C ATOM 687 C ARG A 75 -4.340 4.371 -7.423 1.00 0.00 C ATOM 688 O ARG A 75 -4.058 3.344 -8.040 1.00 0.00 O ATOM 689 CB ARG A 75 -6.758 4.888 -7.047 1.00 0.00 C ATOM 690 CG ARG A 75 -8.020 4.290 -6.446 1.00 0.00 C ATOM 691 CD ARG A 75 -9.157 4.258 -7.456 1.00 0.00 C ATOM 692 NE ARG A 75 -9.547 5.599 -7.883 1.00 0.00 N ATOM 693 CZ ARG A 75 -10.755 5.899 -8.348 1.00 0.00 C ATOM 694 NH1 ARG A 75 -11.685 4.959 -8.444 1.00 0.00 N ATOM 695 NH2 ARG A 75 -11.035 7.143 -8.717 1.00 0.00 N ATOM 0 H ARG A 75 -5.781 5.964 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.626 3.362 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.800 5.973 -6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.731 4.661 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.814 3.278 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.321 4.873 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.853 3.675 -8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.017 3.753 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.855 6.346 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.474 4.002 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.611 5.193 -8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.323 7.869 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.963 7.373 -9.074 1.00 0.00 H new ATOM 709 N ARG A 76 -3.698 5.521 -7.600 1.00 0.00 N ATOM 710 CA ARG A 76 -2.600 5.644 -8.551 1.00 0.00 C ATOM 711 C ARG A 76 -1.330 5.002 -8.003 1.00 0.00 C ATOM 712 O ARG A 76 -0.584 4.351 -8.735 1.00 0.00 O ATOM 713 CB ARG A 76 -2.341 7.117 -8.875 1.00 0.00 C ATOM 714 CG ARG A 76 -1.846 7.924 -7.686 1.00 0.00 C ATOM 715 CD ARG A 76 -0.328 7.913 -7.599 1.00 0.00 C ATOM 716 NE ARG A 76 0.282 8.813 -8.574 1.00 0.00 N ATOM 717 CZ ARG A 76 1.525 9.271 -8.474 1.00 0.00 C ATOM 718 NH1 ARG A 76 2.286 8.916 -7.448 1.00 0.00 N ATOM 719 NH2 ARG A 76 2.010 10.086 -9.402 1.00 0.00 N ATOM 0 H ARG A 76 -3.919 6.381 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.884 5.122 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.606 7.180 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.261 7.565 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.199 8.952 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.267 7.516 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.020 8.204 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.037 6.899 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.277 9.106 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.918 8.289 -6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.240 9.269 -7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.428 10.362 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.965 10.437 -9.324 1.00 0.00 H new ATOM 733 N CYS A 77 -1.089 5.190 -6.709 1.00 0.00 N ATOM 734 CA CYS A 77 0.091 4.630 -6.062 1.00 0.00 C ATOM 735 C CYS A 77 0.096 3.108 -6.161 1.00 0.00 C ATOM 736 O CYS A 77 1.153 2.485 -6.267 1.00 0.00 O ATOM 737 CB CYS A 77 0.143 5.056 -4.593 1.00 0.00 C ATOM 738 SG CYS A 77 0.723 6.764 -4.334 1.00 0.00 S ATOM 0 H CYS A 77 -1.696 5.726 -6.088 1.00 0.00 H new ATOM 0 HA CYS A 77 0.972 5.013 -6.577 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.852 4.952 -4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.799 4.375 -4.051 1.00 0.00 H new ATOM 743 N HIS A 78 -1.093 2.514 -6.127 1.00 0.00 N ATOM 744 CA HIS A 78 -1.226 1.064 -6.215 1.00 0.00 C ATOM 745 C HIS A 78 -0.221 0.485 -7.205 1.00 0.00 C ATOM 746 O HIS A 78 0.779 -0.113 -6.810 1.00 0.00 O ATOM 747 CB HIS A 78 -2.647 0.686 -6.633 1.00 0.00 C ATOM 748 CG HIS A 78 -2.729 -0.615 -7.370 1.00 0.00 C ATOM 749 ND1 HIS A 78 -2.055 -1.750 -6.971 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.411 -0.958 -8.488 1.00 0.00 C ATOM 751 CE1 HIS A 78 -2.318 -2.734 -7.812 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.139 -2.280 -8.741 1.00 0.00 N ATOM 0 H HIS A 78 -1.978 3.014 -6.039 1.00 0.00 H new ATOM 0 HA HIS A 78 -1.021 0.645 -5.230 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.276 0.631 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.054 1.477 -7.263 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -1.448 -1.819 -6.154 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.050 -0.312 -9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.928 -3.739 -7.750 1.00 0.00 H new ATOM 760 N GLU A 79 -0.494 0.666 -8.494 1.00 0.00 N ATOM 761 CA GLU A 79 0.386 0.160 -9.540 1.00 0.00 C ATOM 762 C GLU A 79 1.847 0.457 -9.212 1.00 0.00 C ATOM 763 O GLU A 79 2.712 -0.409 -9.343 1.00 0.00 O ATOM 764 CB GLU A 79 0.019 0.778 -10.890 1.00 0.00 C ATOM 765 CG GLU A 79 0.194 2.287 -10.937 1.00 0.00 C ATOM 766 CD GLU A 79 -0.163 2.874 -12.288 1.00 0.00 C ATOM 767 OE1 GLU A 79 0.285 2.320 -13.314 1.00 0.00 O ATOM 768 OE2 GLU A 79 -0.892 3.888 -12.320 1.00 0.00 O ATOM 0 H GLU A 79 -1.318 1.159 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 79 0.256 -0.921 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.635 0.325 -11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.018 0.534 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.430 2.745 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.228 2.537 -10.698 1.00 0.00 H new ATOM 775 N PHE A 80 2.113 1.687 -8.787 1.00 0.00 N ATOM 776 CA PHE A 80 3.469 2.100 -8.442 1.00 0.00 C ATOM 777 C PHE A 80 4.058 1.190 -7.368 1.00 0.00 C ATOM 778 O PHE A 80 5.236 0.837 -7.415 1.00 0.00 O ATOM 779 CB PHE A 80 3.475 3.551 -7.957 1.00 0.00 C ATOM 780 CG PHE A 80 3.445 4.556 -9.072 1.00 0.00 C ATOM 781 CD1 PHE A 80 4.551 4.741 -9.886 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.311 5.317 -9.307 1.00 0.00 C ATOM 783 CE1 PHE A 80 4.527 5.665 -10.913 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.281 6.242 -10.333 1.00 0.00 C ATOM 785 CZ PHE A 80 3.391 6.417 -11.137 1.00 0.00 C ATOM 0 H PHE A 80 1.408 2.416 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 80 4.085 2.021 -9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.613 3.713 -7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.365 3.719 -7.351 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.443 4.156 -9.716 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.441 5.186 -8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.396 5.799 -11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.390 6.828 -10.506 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.370 7.140 -11.939 1.00 0.00 H new ATOM 795 N VAL A 81 3.229 0.814 -6.399 1.00 0.00 N ATOM 796 CA VAL A 81 3.666 -0.054 -5.313 1.00 0.00 C ATOM 797 C VAL A 81 4.672 -1.087 -5.806 1.00 0.00 C ATOM 798 O VAL A 81 4.347 -1.944 -6.630 1.00 0.00 O ATOM 799 CB VAL A 81 2.475 -0.783 -4.663 1.00 0.00 C ATOM 800 CG1 VAL A 81 2.961 -1.770 -3.612 1.00 0.00 C ATOM 801 CG2 VAL A 81 1.503 0.218 -4.057 1.00 0.00 C ATOM 0 H VAL A 81 2.251 1.097 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 81 4.141 0.585 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 81 1.949 -1.343 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.105 -2.275 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.614 -2.507 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.513 -1.236 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.668 -0.315 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.015 0.807 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.129 0.880 -4.838 1.00 0.00 H new ATOM 811 N THR A 82 5.897 -1.003 -5.297 1.00 0.00 N ATOM 812 CA THR A 82 6.953 -1.929 -5.686 1.00 0.00 C ATOM 813 C THR A 82 7.085 -3.066 -4.680 1.00 0.00 C ATOM 814 O THR A 82 7.087 -4.240 -5.051 1.00 0.00 O ATOM 815 CB THR A 82 8.310 -1.213 -5.816 1.00 0.00 C ATOM 816 OG1 THR A 82 8.560 -0.422 -4.648 1.00 0.00 O ATOM 817 CG2 THR A 82 8.338 -0.326 -7.051 1.00 0.00 C ATOM 0 H THR A 82 6.182 -0.302 -4.613 1.00 0.00 H new ATOM 0 HA THR A 82 6.673 -2.337 -6.657 1.00 0.00 H new ATOM 0 HB THR A 82 9.088 -1.970 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.426 0.029 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.306 0.169 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.176 -0.935 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.551 0.425 -6.978 1.00 0.00 H new ATOM 825 N PHE A 83 7.193 -2.711 -3.404 1.00 0.00 N ATOM 826 CA PHE A 83 7.326 -3.703 -2.343 1.00 0.00 C ATOM 827 C PHE A 83 6.359 -4.863 -2.559 1.00 0.00 C ATOM 828 O PHE A 83 5.250 -4.675 -3.058 1.00 0.00 O ATOM 829 CB PHE A 83 7.070 -3.058 -0.979 1.00 0.00 C ATOM 830 CG PHE A 83 6.880 -4.055 0.129 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.915 -4.895 0.507 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.667 -4.151 0.792 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.743 -5.813 1.527 1.00 0.00 C ATOM 834 CE2 PHE A 83 5.490 -5.066 1.812 1.00 0.00 C ATOM 835 CZ PHE A 83 6.529 -5.899 2.179 1.00 0.00 C ATOM 0 H PHE A 83 7.191 -1.744 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 83 8.344 -4.092 -2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.908 -2.406 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.184 -2.427 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.866 -4.832 -0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.851 -3.503 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.557 -6.462 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.540 -5.130 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.392 -6.616 2.975 1.00 0.00 H new ATOM 845 N GLU A 84 6.789 -6.062 -2.179 1.00 0.00 N ATOM 846 CA GLU A 84 5.961 -7.253 -2.332 1.00 0.00 C ATOM 847 C GLU A 84 5.199 -7.556 -1.045 1.00 0.00 C ATOM 848 O GLU A 84 5.645 -7.212 0.050 1.00 0.00 O ATOM 849 CB GLU A 84 6.826 -8.455 -2.720 1.00 0.00 C ATOM 850 CG GLU A 84 7.032 -8.597 -4.219 1.00 0.00 C ATOM 851 CD GLU A 84 5.875 -9.297 -4.904 1.00 0.00 C ATOM 852 OE1 GLU A 84 4.756 -9.275 -4.350 1.00 0.00 O ATOM 853 OE2 GLU A 84 6.089 -9.868 -5.994 1.00 0.00 O ATOM 0 H GLU A 84 7.704 -6.234 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 84 5.238 -7.062 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.798 -8.364 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.362 -9.364 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.165 -7.609 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.950 -9.155 -4.404 1.00 0.00 H new ATOM 860 N CYS A 85 4.046 -8.201 -1.186 1.00 0.00 N ATOM 861 CA CYS A 85 3.219 -8.549 -0.036 1.00 0.00 C ATOM 862 C CYS A 85 3.794 -9.756 0.701 1.00 0.00 C ATOM 863 O CYS A 85 4.170 -10.761 0.098 1.00 0.00 O ATOM 864 CB CYS A 85 1.786 -8.846 -0.483 1.00 0.00 C ATOM 865 SG CYS A 85 0.574 -8.870 0.876 1.00 0.00 S ATOM 0 H CYS A 85 3.663 -8.493 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 85 3.211 -7.698 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.482 -8.097 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.767 -9.811 -0.989 1.00 0.00 H new ATOM 870 N PRO A 86 3.863 -9.655 2.037 1.00 0.00 N ATOM 871 CA PRO A 86 4.389 -10.728 2.885 1.00 0.00 C ATOM 872 C PRO A 86 3.465 -11.941 2.926 1.00 0.00 C ATOM 873 O PRO A 86 3.893 -13.068 2.683 1.00 0.00 O ATOM 874 CB PRO A 86 4.478 -10.077 4.267 1.00 0.00 C ATOM 875 CG PRO A 86 3.462 -8.988 4.239 1.00 0.00 C ATOM 876 CD PRO A 86 3.432 -8.486 2.821 1.00 0.00 C ATOM 0 HA PRO A 86 5.341 -11.109 2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.266 -10.796 5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.476 -9.682 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.483 -9.360 4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.728 -8.188 4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.434 -8.154 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.103 -7.638 2.680 1.00 0.00 H new ATOM 884 N GLY A 87 2.195 -11.701 3.236 1.00 0.00 N ATOM 885 CA GLY A 87 1.230 -12.783 3.303 1.00 0.00 C ATOM 886 C GLY A 87 1.127 -13.549 1.999 1.00 0.00 C ATOM 887 O GLY A 87 1.383 -14.751 1.956 1.00 0.00 O ATOM 0 H GLY A 87 1.817 -10.776 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.512 -13.468 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.252 -12.378 3.561 1.00 0.00 H new ATOM 891 N ALA A 88 0.748 -12.851 0.933 1.00 0.00 N ATOM 892 CA ALA A 88 0.611 -13.473 -0.378 1.00 0.00 C ATOM 893 C ALA A 88 1.871 -14.245 -0.753 1.00 0.00 C ATOM 894 O ALA A 88 1.801 -15.395 -1.184 1.00 0.00 O ATOM 895 CB ALA A 88 0.300 -12.420 -1.431 1.00 0.00 C ATOM 0 H ALA A 88 0.530 -11.855 0.952 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.217 -14.181 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.200 -12.898 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.632 -11.916 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.109 -11.690 -1.466 1.00 0.00 H new ATOM 901 N GLY A 89 3.024 -13.603 -0.589 1.00 0.00 N ATOM 902 CA GLY A 89 4.283 -14.245 -0.916 1.00 0.00 C ATOM 903 C GLY A 89 4.677 -15.301 0.097 1.00 0.00 C ATOM 904 O GLY A 89 4.396 -15.165 1.288 1.00 0.00 O ATOM 0 H GLY A 89 3.108 -12.650 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.208 -14.703 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.068 -13.491 -0.973 1.00 0.00 H new ATOM 908 N LYS A 90 5.327 -16.359 -0.376 1.00 0.00 N ATOM 909 CA LYS A 90 5.759 -17.445 0.496 1.00 0.00 C ATOM 910 C LYS A 90 7.273 -17.422 0.684 1.00 0.00 C ATOM 911 O LYS A 90 8.028 -17.697 -0.248 1.00 0.00 O ATOM 912 CB LYS A 90 5.327 -18.794 -0.082 1.00 0.00 C ATOM 913 CG LYS A 90 3.885 -19.155 0.231 1.00 0.00 C ATOM 914 CD LYS A 90 3.712 -19.548 1.688 1.00 0.00 C ATOM 915 CE LYS A 90 2.349 -20.175 1.938 1.00 0.00 C ATOM 916 NZ LYS A 90 1.931 -20.044 3.361 1.00 0.00 N ATOM 0 H LYS A 90 5.566 -16.488 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 90 5.287 -17.306 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.462 -18.777 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.981 -19.574 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.239 -18.307 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.568 -19.978 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.495 -20.251 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.830 -18.668 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.607 -19.699 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.379 -21.230 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.997 -20.484 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.625 -20.520 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.878 -19.037 3.616 1.00 0.00 H new ATOM 930 N GLY A 91 7.710 -17.093 1.896 1.00 0.00 N ATOM 931 CA GLY A 91 9.131 -17.042 2.184 1.00 0.00 C ATOM 932 C GLY A 91 9.445 -16.207 3.409 1.00 0.00 C ATOM 933 O GLY A 91 9.169 -16.601 4.542 1.00 0.00 O ATOM 0 H GLY A 91 7.105 -16.861 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.505 -18.055 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.658 -16.631 1.323 1.00 0.00 H new ATOM 937 N PRO A 92 10.039 -15.025 3.188 1.00 0.00 N ATOM 938 CA PRO A 92 10.405 -14.108 4.272 1.00 0.00 C ATOM 939 C PRO A 92 9.185 -13.482 4.938 1.00 0.00 C ATOM 940 O PRO A 92 9.291 -12.454 5.607 1.00 0.00 O ATOM 941 CB PRO A 92 11.236 -13.036 3.564 1.00 0.00 C ATOM 942 CG PRO A 92 10.764 -13.062 2.151 1.00 0.00 C ATOM 943 CD PRO A 92 10.398 -14.491 1.863 1.00 0.00 C ATOM 0 HA PRO A 92 10.937 -14.618 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.083 -12.055 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.302 -13.254 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.906 -12.404 2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.543 -12.714 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 92 9.565 -14.559 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.231 -15.038 1.422 1.00 0.00 H new ATOM 951 N GLN A 93 8.027 -14.108 4.752 1.00 0.00 N ATOM 952 CA GLN A 93 6.787 -13.611 5.336 1.00 0.00 C ATOM 953 C GLN A 93 7.047 -12.951 6.686 1.00 0.00 C ATOM 954 O GLN A 93 6.746 -11.774 6.883 1.00 0.00 O ATOM 955 CB GLN A 93 5.781 -14.752 5.498 1.00 0.00 C ATOM 956 CG GLN A 93 4.333 -14.293 5.485 1.00 0.00 C ATOM 957 CD GLN A 93 3.839 -13.880 6.858 1.00 0.00 C ATOM 958 OE1 GLN A 93 4.610 -13.822 7.816 1.00 0.00 O ATOM 959 NE2 GLN A 93 2.547 -13.591 6.961 1.00 0.00 N ATOM 0 H GLN A 93 7.922 -14.960 4.201 1.00 0.00 H new ATOM 0 HA GLN A 93 6.371 -12.863 4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.932 -15.474 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.981 -15.271 6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.228 -13.454 4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.704 -15.098 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.944 -13.652 6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.158 -13.308 7.860 1.00 0.00 H new ATOM 968 N THR A 94 7.609 -13.718 7.616 1.00 0.00 N ATOM 969 CA THR A 94 7.908 -13.209 8.948 1.00 0.00 C ATOM 970 C THR A 94 9.230 -13.766 9.465 1.00 0.00 C ATOM 971 O THR A 94 9.611 -14.890 9.139 1.00 0.00 O ATOM 972 CB THR A 94 6.790 -13.560 9.948 1.00 0.00 C ATOM 973 OG1 THR A 94 7.044 -12.928 11.208 1.00 0.00 O ATOM 974 CG2 THR A 94 6.690 -15.065 10.141 1.00 0.00 C ATOM 0 H THR A 94 7.866 -14.694 7.470 1.00 0.00 H new ATOM 0 HA THR A 94 7.982 -12.125 8.863 1.00 0.00 H new ATOM 0 HB THR A 94 5.844 -13.198 9.544 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.328 -13.154 11.838 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.894 -15.289 10.851 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.468 -15.540 9.186 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.636 -15.446 10.525 1.00 0.00 H new ATOM 982 N ASP A 95 9.925 -12.972 10.273 1.00 0.00 N ATOM 983 CA ASP A 95 11.204 -13.387 10.837 1.00 0.00 C ATOM 984 C ASP A 95 11.006 -14.465 11.899 1.00 0.00 C ATOM 985 O ASP A 95 9.944 -14.555 12.515 1.00 0.00 O ATOM 986 CB ASP A 95 11.932 -12.186 11.443 1.00 0.00 C ATOM 987 CG ASP A 95 13.272 -12.564 12.043 1.00 0.00 C ATOM 988 OD1 ASP A 95 14.162 -12.995 11.282 1.00 0.00 O ATOM 989 OD2 ASP A 95 13.429 -12.428 13.275 1.00 0.00 O ATOM 0 H ASP A 95 9.624 -12.038 10.552 1.00 0.00 H new ATOM 0 HA ASP A 95 11.810 -13.802 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.082 -11.429 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.306 -11.736 12.214 1.00 0.00 H new ATOM 994 N ASP A 96 12.034 -15.281 12.105 1.00 0.00 N ATOM 995 CA ASP A 96 11.973 -16.353 13.091 1.00 0.00 C ATOM 996 C ASP A 96 11.236 -15.896 14.346 1.00 0.00 C ATOM 997 O ASP A 96 11.422 -14.781 14.834 1.00 0.00 O ATOM 998 CB ASP A 96 13.383 -16.820 13.455 1.00 0.00 C ATOM 999 CG ASP A 96 14.058 -17.564 12.319 1.00 0.00 C ATOM 1000 OD1 ASP A 96 13.512 -18.596 11.878 1.00 0.00 O ATOM 1001 OD2 ASP A 96 15.132 -17.112 11.871 1.00 0.00 O ATOM 0 H ASP A 96 12.919 -15.220 11.602 1.00 0.00 H new ATOM 0 HA ASP A 96 11.424 -17.186 12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.989 -15.957 13.731 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.333 -17.467 14.331 1.00 0.00 H new ATOM 1006 N PRO A 97 10.377 -16.776 14.882 1.00 0.00 N ATOM 1007 CA PRO A 97 9.594 -16.485 16.086 1.00 0.00 C ATOM 1008 C PRO A 97 10.460 -16.419 17.339 1.00 0.00 C ATOM 1009 O PRO A 97 9.948 -16.398 18.459 1.00 0.00 O ATOM 1010 CB PRO A 97 8.621 -17.664 16.170 1.00 0.00 C ATOM 1011 CG PRO A 97 9.307 -18.773 15.450 1.00 0.00 C ATOM 1012 CD PRO A 97 10.105 -18.124 14.353 1.00 0.00 C ATOM 0 HA PRO A 97 9.104 -15.513 16.028 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.413 -17.933 17.206 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.665 -17.422 15.706 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.954 -19.334 16.124 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.584 -19.479 15.041 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.026 -18.669 14.149 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.545 -18.084 13.419 1.00 0.00 H new ATOM 1020 N ARG A 98 11.774 -16.385 17.143 1.00 0.00 N ATOM 1021 CA ARG A 98 12.712 -16.322 18.258 1.00 0.00 C ATOM 1022 C ARG A 98 12.281 -15.265 19.271 1.00 0.00 C ATOM 1023 O ARG A 98 12.063 -14.107 18.920 1.00 0.00 O ATOM 1024 CB ARG A 98 14.121 -16.012 17.751 1.00 0.00 C ATOM 1025 CG ARG A 98 14.215 -14.713 16.968 1.00 0.00 C ATOM 1026 CD ARG A 98 15.660 -14.341 16.676 1.00 0.00 C ATOM 1027 NE ARG A 98 15.760 -13.238 15.724 1.00 0.00 N ATOM 1028 CZ ARG A 98 16.893 -12.880 15.130 1.00 0.00 C ATOM 1029 NH1 ARG A 98 18.016 -13.535 15.388 1.00 0.00 N ATOM 1030 NH2 ARG A 98 16.903 -11.865 14.276 1.00 0.00 N ATOM 0 H ARG A 98 12.213 -16.400 16.223 1.00 0.00 H new ATOM 0 HA ARG A 98 12.717 -17.294 18.751 1.00 0.00 H new ATOM 0 HB2 ARG A 98 14.801 -15.964 18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 98 14.459 -16.833 17.118 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.667 -14.812 16.031 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.739 -13.911 17.533 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.158 -14.064 17.605 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.185 -15.210 16.280 1.00 0.00 H new ATOM 0 HE ARG A 98 14.913 -12.714 15.503 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.012 -14.316 16.044 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.885 -13.258 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.040 -11.359 14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.773 -11.591 13.820 1.00 0.00 H new ATOM 1044 N ASN A 99 12.159 -15.675 20.530 1.00 0.00 N ATOM 1045 CA ASN A 99 11.753 -14.764 21.594 1.00 0.00 C ATOM 1046 C ASN A 99 12.455 -15.109 22.904 1.00 0.00 C ATOM 1047 O ASN A 99 13.195 -16.090 22.984 1.00 0.00 O ATOM 1048 CB ASN A 99 10.236 -14.815 21.787 1.00 0.00 C ATOM 1049 CG ASN A 99 9.756 -16.182 22.235 1.00 0.00 C ATOM 1050 OD1 ASN A 99 10.498 -17.162 22.178 1.00 0.00 O ATOM 1051 ND2 ASN A 99 8.509 -16.252 22.685 1.00 0.00 N ATOM 0 H ASN A 99 12.335 -16.631 20.838 1.00 0.00 H new ATOM 0 HA ASN A 99 12.042 -13.754 21.303 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.941 -14.069 22.525 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.744 -14.549 20.851 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.130 -17.145 23.001 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.930 -15.413 22.714 1.00 0.00 H new ATOM 1058 N LYS A 100 12.218 -14.298 23.928 1.00 0.00 N ATOM 1059 CA LYS A 100 12.825 -14.517 25.236 1.00 0.00 C ATOM 1060 C LYS A 100 11.790 -15.014 26.240 1.00 0.00 C ATOM 1061 O LYS A 100 10.655 -14.536 26.265 1.00 0.00 O ATOM 1062 CB LYS A 100 13.467 -13.225 25.746 1.00 0.00 C ATOM 1063 CG LYS A 100 12.475 -12.093 25.952 1.00 0.00 C ATOM 1064 CD LYS A 100 13.079 -10.965 26.771 1.00 0.00 C ATOM 1065 CE LYS A 100 13.163 -11.329 28.245 1.00 0.00 C ATOM 1066 NZ LYS A 100 11.814 -11.494 28.854 1.00 0.00 N ATOM 0 H LYS A 100 11.609 -13.481 23.878 1.00 0.00 H new ATOM 0 HA LYS A 100 13.596 -15.280 25.128 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.974 -13.429 26.689 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.230 -12.904 25.037 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.153 -11.709 24.984 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.586 -12.474 26.455 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.076 -10.734 26.395 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.477 -10.064 26.651 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.728 -12.254 28.359 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.710 -10.553 28.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.747 -10.911 29.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.087 -11.193 28.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.664 -12.493 29.101 1.00 0.00 H new ATOM 1080 N HIS A 101 12.188 -15.975 27.067 1.00 0.00 N ATOM 1081 CA HIS A 101 11.294 -16.535 28.075 1.00 0.00 C ATOM 1082 C HIS A 101 11.095 -15.556 29.228 1.00 0.00 C ATOM 1083 O HIS A 101 11.838 -14.585 29.367 1.00 0.00 O ATOM 1084 CB HIS A 101 11.852 -17.857 28.603 1.00 0.00 C ATOM 1085 CG HIS A 101 10.797 -18.792 29.111 1.00 0.00 C ATOM 1086 ND1 HIS A 101 11.051 -19.781 30.038 1.00 0.00 N ATOM 1087 CD2 HIS A 101 9.479 -18.883 28.817 1.00 0.00 C ATOM 1088 CE1 HIS A 101 9.935 -20.441 30.291 1.00 0.00 C ATOM 1089 NE2 HIS A 101 8.966 -19.915 29.563 1.00 0.00 N ATOM 0 H HIS A 101 13.123 -16.382 27.059 1.00 0.00 H new ATOM 0 HA HIS A 101 10.327 -16.719 27.607 1.00 0.00 H new ATOM 0 HB2 HIS A 101 12.410 -18.350 27.807 1.00 0.00 H new ATOM 0 HB3 HIS A 101 12.559 -17.649 29.406 1.00 0.00 H new ATOM 0 HD2 HIS A 101 8.933 -18.260 28.125 1.00 0.00 H new ATOM 0 HE1 HIS A 101 9.832 -21.269 30.976 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.994 -20.225 29.556 1.00 0.00 H new ATOM 1097 N LYS A 102 10.087 -15.819 30.053 1.00 0.00 N ATOM 1098 CA LYS A 102 9.789 -14.963 31.195 1.00 0.00 C ATOM 1099 C LYS A 102 10.042 -15.698 32.507 1.00 0.00 C ATOM 1100 O LYS A 102 10.189 -16.920 32.527 1.00 0.00 O ATOM 1101 CB LYS A 102 8.335 -14.487 31.137 1.00 0.00 C ATOM 1102 CG LYS A 102 7.323 -15.596 31.369 1.00 0.00 C ATOM 1103 CD LYS A 102 6.963 -15.722 32.840 1.00 0.00 C ATOM 1104 CE LYS A 102 6.083 -14.570 33.299 1.00 0.00 C ATOM 1105 NZ LYS A 102 4.764 -14.569 32.608 1.00 0.00 N ATOM 0 H LYS A 102 9.462 -16.619 29.952 1.00 0.00 H new ATOM 0 HA LYS A 102 10.450 -14.098 31.150 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.186 -13.708 31.885 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.148 -14.034 30.163 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.422 -15.395 30.789 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.729 -16.542 31.010 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.446 -16.666 33.009 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.874 -15.746 33.438 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.929 -14.638 34.376 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.593 -13.626 33.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.092 -13.983 33.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.875 -14.181 31.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.403 -15.542 32.548 1.00 0.00 H new ATOM 1119 N PHE A 103 10.091 -14.946 33.602 1.00 0.00 N ATOM 1120 CA PHE A 103 10.326 -15.527 34.918 1.00 0.00 C ATOM 1121 C PHE A 103 9.122 -15.311 35.830 1.00 0.00 C ATOM 1122 O PHE A 103 8.151 -14.657 35.450 1.00 0.00 O ATOM 1123 CB PHE A 103 11.577 -14.915 35.553 1.00 0.00 C ATOM 1124 CG PHE A 103 11.475 -13.432 35.769 1.00 0.00 C ATOM 1125 CD1 PHE A 103 11.565 -12.555 34.700 1.00 0.00 C ATOM 1126 CD2 PHE A 103 11.291 -12.915 37.041 1.00 0.00 C ATOM 1127 CE1 PHE A 103 11.472 -11.190 34.895 1.00 0.00 C ATOM 1128 CE2 PHE A 103 11.197 -11.551 37.242 1.00 0.00 C ATOM 1129 CZ PHE A 103 11.288 -10.687 36.168 1.00 0.00 C ATOM 0 H PHE A 103 9.971 -13.933 33.603 1.00 0.00 H new ATOM 0 HA PHE A 103 10.478 -16.599 34.793 1.00 0.00 H new ATOM 0 HB2 PHE A 103 11.764 -15.402 36.510 1.00 0.00 H new ATOM 0 HB3 PHE A 103 12.437 -15.123 34.916 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.710 -12.943 33.702 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.220 -13.585 37.885 1.00 0.00 H new ATOM 0 HE1 PHE A 103 11.543 -10.517 34.053 1.00 0.00 H new ATOM 0 HE2 PHE A 103 11.052 -11.161 38.239 1.00 0.00 H new ATOM 0 HZ PHE A 103 11.215 -9.621 36.323 1.00 0.00 H new ATOM 1139 N ARG A 104 9.193 -15.867 37.035 1.00 0.00 N ATOM 1140 CA ARG A 104 8.109 -15.738 38.002 1.00 0.00 C ATOM 1141 C ARG A 104 8.093 -14.342 38.618 1.00 0.00 C ATOM 1142 O ARG A 104 9.121 -13.666 38.676 1.00 0.00 O ATOM 1143 CB ARG A 104 8.250 -16.791 39.102 1.00 0.00 C ATOM 1144 CG ARG A 104 6.926 -17.200 39.728 1.00 0.00 C ATOM 1145 CD ARG A 104 7.130 -17.858 41.083 1.00 0.00 C ATOM 1146 NE ARG A 104 5.873 -18.332 41.656 1.00 0.00 N ATOM 1147 CZ ARG A 104 5.391 -19.554 41.461 1.00 0.00 C ATOM 1148 NH1 ARG A 104 6.058 -20.422 40.713 1.00 0.00 N ATOM 1149 NH2 ARG A 104 4.240 -19.911 42.017 1.00 0.00 N ATOM 0 H ARG A 104 9.990 -16.411 37.365 1.00 0.00 H new ATOM 0 HA ARG A 104 7.167 -15.895 37.477 1.00 0.00 H new ATOM 0 HB2 ARG A 104 8.734 -17.675 38.687 1.00 0.00 H new ATOM 0 HB3 ARG A 104 8.906 -16.404 39.881 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.289 -16.323 39.841 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.405 -17.889 39.063 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.820 -18.696 40.979 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.594 -17.146 41.766 1.00 0.00 H new ATOM 0 HE ARG A 104 5.336 -17.689 42.238 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.944 -20.152 40.286 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.685 -21.360 40.565 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.725 -19.247 42.595 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.871 -20.850 41.867 1.00 0.00 H new ATOM 1163 N LEU A 105 6.921 -13.917 39.075 1.00 0.00 N ATOM 1164 CA LEU A 105 6.770 -12.601 39.687 1.00 0.00 C ATOM 1165 C LEU A 105 7.474 -12.545 41.039 1.00 0.00 C ATOM 1166 O LEU A 105 8.082 -13.522 41.474 1.00 0.00 O ATOM 1167 CB LEU A 105 5.288 -12.262 39.856 1.00 0.00 C ATOM 1168 CG LEU A 105 4.631 -12.751 41.147 1.00 0.00 C ATOM 1169 CD1 LEU A 105 4.931 -14.225 41.373 1.00 0.00 C ATOM 1170 CD2 LEU A 105 5.100 -11.921 42.333 1.00 0.00 C ATOM 0 H LEU A 105 6.061 -14.464 39.034 1.00 0.00 H new ATOM 0 HA LEU A 105 7.231 -11.866 39.027 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.175 -11.179 39.802 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.741 -12.682 39.012 1.00 0.00 H new ATOM 0 HG LEU A 105 3.552 -12.631 41.051 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.455 -14.556 42.296 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.544 -14.807 40.537 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.009 -14.370 41.448 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.622 -12.284 43.243 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.182 -12.008 42.433 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.833 -10.876 42.174 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.342 7.720 -2.308 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.485 -6.744 1.026 1.00 0.00 ZN