USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.482 K(o=1.8,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -175:sc= 1.28 (180deg=-0.00361) USER MOD Set 2.1: A 5 HIS : no HE2:sc= -0.833 K(o=-0.39,f=-3.5) USER MOD Set 2.2: A 6 SER OG : rot -110:sc= 0.446 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 173:sc= 0.384 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 1.29 (180deg=1.15) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= -0.0154 (180deg=-0.161) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.401 USER MOD Single : A 34 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0246 (180deg=-0.239) USER MOD Single : A 44 THR OG1 : rot -173:sc= -0.946! USER MOD Single : A 46 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-7.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 54 TYR OH : rot -3:sc= 1.16 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.96 USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= 0.879 (180deg=-1.07) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= -1.19! (180deg=-1.68!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= 1.2 (180deg=1.07) USER MOD Single : A 85 GLN : amide:sc= -2.09! C(o=-2.1!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.892 6.440 -8.305 1.00 0.00 N ATOM 2 CA GLU A 2 11.177 7.707 -8.363 1.00 0.00 C ATOM 3 C GLU A 2 10.878 8.158 -6.956 1.00 0.00 C ATOM 4 O GLU A 2 10.752 7.317 -6.055 1.00 0.00 O ATOM 5 CB GLU A 2 9.905 7.539 -9.185 1.00 0.00 C ATOM 6 CG GLU A 2 9.062 8.781 -9.320 1.00 0.00 C ATOM 7 CD GLU A 2 7.903 8.553 -10.252 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.140 8.359 -11.460 1.00 0.00 O ATOM 9 OE2 GLU A 2 6.750 8.529 -9.810 1.00 0.00 O ATOM 0 HA GLU A 2 11.784 8.470 -8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.178 7.194 -10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.299 6.755 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.691 9.080 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.675 9.601 -9.692 1.00 0.00 H new ATOM 16 N LEU A 3 10.788 9.460 -6.742 1.00 0.00 N ATOM 17 CA LEU A 3 10.573 9.960 -5.415 1.00 0.00 C ATOM 18 C LEU A 3 9.291 10.727 -5.242 1.00 0.00 C ATOM 19 O LEU A 3 8.648 11.144 -6.201 1.00 0.00 O ATOM 20 CB LEU A 3 11.766 10.758 -4.877 1.00 0.00 C ATOM 21 CG LEU A 3 13.007 9.955 -4.497 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.117 10.883 -4.032 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.668 8.951 -3.403 1.00 0.00 C ATOM 0 H LEU A 3 10.861 10.174 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 3 10.473 9.060 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.052 11.493 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.437 11.313 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 3 13.354 9.413 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.995 10.295 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.374 11.574 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.779 11.447 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.561 8.384 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.303 9.481 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.897 8.269 -3.762 1.00 0.00 H new ATOM 35 N LYS A 4 8.964 10.914 -3.990 1.00 0.00 N ATOM 36 CA LYS A 4 7.793 11.579 -3.533 1.00 0.00 C ATOM 37 C LYS A 4 8.106 12.467 -2.359 1.00 0.00 C ATOM 38 O LYS A 4 9.165 12.329 -1.733 1.00 0.00 O ATOM 39 CB LYS A 4 6.740 10.549 -3.099 1.00 0.00 C ATOM 40 CG LYS A 4 7.256 9.237 -2.407 1.00 0.00 C ATOM 41 CD LYS A 4 8.241 9.375 -1.229 1.00 0.00 C ATOM 42 CE LYS A 4 7.637 10.028 -0.005 1.00 0.00 C ATOM 43 NZ LYS A 4 8.601 10.063 1.118 1.00 0.00 N ATOM 0 H LYS A 4 9.550 10.582 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 4 7.410 12.186 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.049 11.041 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.166 10.262 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.387 8.684 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.734 8.623 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.610 8.386 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.102 9.959 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.323 11.043 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.743 9.482 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.157 10.516 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.881 9.092 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.443 10.605 0.836 1.00 0.00 H new ATOM 57 N HIS A 5 7.196 13.348 -2.040 1.00 0.00 N ATOM 58 CA HIS A 5 7.313 14.132 -0.822 1.00 0.00 C ATOM 59 C HIS A 5 6.429 13.501 0.278 1.00 0.00 C ATOM 60 O HIS A 5 6.680 13.678 1.456 1.00 0.00 O ATOM 61 CB HIS A 5 6.945 15.630 -1.044 1.00 0.00 C ATOM 62 CG HIS A 5 5.493 15.884 -1.311 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.879 15.587 -2.488 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.519 16.343 -0.485 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.589 15.841 -2.359 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.307 16.311 -1.158 1.00 0.00 N ATOM 0 H HIS A 5 6.366 13.546 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 5 8.356 14.116 -0.506 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.243 16.198 -0.163 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.527 16.013 -1.882 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.336 15.229 -3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.664 16.679 0.531 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.857 15.684 -3.138 1.00 0.00 H new ATOM 74 N SER A 6 5.417 12.724 -0.135 1.00 0.00 N ATOM 75 CA SER A 6 4.486 12.089 0.796 1.00 0.00 C ATOM 76 C SER A 6 3.843 10.880 0.120 1.00 0.00 C ATOM 77 O SER A 6 4.173 10.577 -1.030 1.00 0.00 O ATOM 78 CB SER A 6 3.390 13.089 1.165 1.00 0.00 C ATOM 79 OG SER A 6 2.654 13.479 0.011 1.00 0.00 O ATOM 0 H SER A 6 5.226 12.522 -1.116 1.00 0.00 H new ATOM 0 HA SER A 6 5.021 11.772 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.717 12.644 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.835 13.967 1.632 1.00 0.00 H new ATOM 0 HG SER A 6 2.852 14.415 -0.202 1.00 0.00 H new ATOM 85 N ILE A 7 2.947 10.184 0.824 1.00 0.00 N ATOM 86 CA ILE A 7 2.176 9.109 0.215 1.00 0.00 C ATOM 87 C ILE A 7 1.151 9.710 -0.743 1.00 0.00 C ATOM 88 O ILE A 7 0.809 9.127 -1.760 1.00 0.00 O ATOM 89 CB ILE A 7 1.434 8.208 1.246 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.715 7.074 0.490 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.457 9.023 2.087 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.010 6.106 1.360 1.00 0.00 C ATOM 0 H ILE A 7 2.742 10.348 1.810 1.00 0.00 H new ATOM 0 HA ILE A 7 2.889 8.471 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 7 2.158 7.775 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.005 7.515 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.449 6.529 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.046 8.367 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.001 9.796 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.283 9.488 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.484 5.345 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.695 5.631 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.772 6.633 1.935 1.00 0.00 H new ATOM 104 N SER A 8 0.725 10.928 -0.442 1.00 0.00 N ATOM 105 CA SER A 8 -0.238 11.609 -1.248 1.00 0.00 C ATOM 106 C SER A 8 0.436 12.167 -2.508 1.00 0.00 C ATOM 107 O SER A 8 -0.173 12.890 -3.294 1.00 0.00 O ATOM 108 CB SER A 8 -0.930 12.699 -0.428 1.00 0.00 C ATOM 109 OG SER A 8 -1.478 12.166 0.773 1.00 0.00 O ATOM 0 H SER A 8 1.045 11.458 0.369 1.00 0.00 H new ATOM 0 HA SER A 8 -1.009 10.910 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.216 13.486 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.722 13.157 -1.021 1.00 0.00 H new ATOM 0 HG SER A 8 -1.814 12.897 1.332 1.00 0.00 H new ATOM 115 N ASP A 9 1.715 11.828 -2.680 1.00 0.00 N ATOM 116 CA ASP A 9 2.432 12.146 -3.890 1.00 0.00 C ATOM 117 C ASP A 9 2.503 10.883 -4.760 1.00 0.00 C ATOM 118 O ASP A 9 3.120 10.856 -5.807 1.00 0.00 O ATOM 119 CB ASP A 9 3.821 12.659 -3.575 1.00 0.00 C ATOM 120 CG ASP A 9 4.506 13.324 -4.756 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.850 13.570 -5.800 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.699 13.676 -4.620 1.00 0.00 O ATOM 0 H ASP A 9 2.269 11.329 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 9 1.909 12.936 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.758 13.372 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.436 11.828 -3.229 1.00 0.00 H new ATOM 127 N TYR A 10 1.895 9.834 -4.287 1.00 0.00 N ATOM 128 CA TYR A 10 1.707 8.646 -5.081 1.00 0.00 C ATOM 129 C TYR A 10 0.326 8.667 -5.572 1.00 0.00 C ATOM 130 O TYR A 10 -0.583 8.945 -4.803 1.00 0.00 O ATOM 131 CB TYR A 10 1.883 7.361 -4.275 1.00 0.00 C ATOM 132 CG TYR A 10 3.266 6.816 -4.252 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.175 7.205 -3.301 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.659 5.885 -5.201 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.441 6.688 -3.291 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.926 5.362 -5.201 1.00 0.00 C ATOM 137 CZ TYR A 10 5.817 5.767 -4.243 1.00 0.00 C ATOM 138 OH TYR A 10 7.098 5.257 -4.244 1.00 0.00 O ATOM 0 H TYR A 10 1.515 9.774 -3.342 1.00 0.00 H new ATOM 0 HA TYR A 10 2.452 8.649 -5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.565 7.547 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.216 6.601 -4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.888 7.928 -2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.954 5.566 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.146 7.002 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.218 4.639 -5.948 1.00 0.00 H new ATOM 0 HH TYR A 10 7.196 4.619 -4.982 1.00 0.00 H new ATOM 148 N THR A 11 0.135 8.416 -6.823 1.00 0.00 N ATOM 149 CA THR A 11 -1.190 8.308 -7.336 1.00 0.00 C ATOM 150 C THR A 11 -1.771 7.015 -6.849 1.00 0.00 C ATOM 151 O THR A 11 -1.023 6.099 -6.441 1.00 0.00 O ATOM 152 CB THR A 11 -1.211 8.357 -8.873 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.286 7.401 -9.398 1.00 0.00 O ATOM 154 CG2 THR A 11 -0.872 9.743 -9.387 1.00 0.00 C ATOM 0 H THR A 11 0.878 8.282 -7.509 1.00 0.00 H new ATOM 0 HA THR A 11 -1.782 9.153 -6.984 1.00 0.00 H new ATOM 0 HB THR A 11 -2.219 8.113 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.303 7.433 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.896 9.743 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.601 10.460 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.124 10.024 -9.046 1.00 0.00 H new ATOM 162 N GLU A 12 -3.066 6.921 -6.883 1.00 0.00 N ATOM 163 CA GLU A 12 -3.736 5.759 -6.412 1.00 0.00 C ATOM 164 C GLU A 12 -3.333 4.580 -7.275 1.00 0.00 C ATOM 165 O GLU A 12 -3.102 3.506 -6.777 1.00 0.00 O ATOM 166 CB GLU A 12 -5.235 6.001 -6.402 1.00 0.00 C ATOM 167 CG GLU A 12 -6.044 4.931 -5.713 1.00 0.00 C ATOM 168 CD GLU A 12 -7.414 5.431 -5.404 1.00 0.00 C ATOM 169 OE1 GLU A 12 -7.555 6.203 -4.441 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.376 5.104 -6.126 1.00 0.00 O ATOM 0 H GLU A 12 -3.683 7.651 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.449 5.531 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.431 6.956 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.581 6.092 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.107 4.048 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.546 4.626 -4.793 1.00 0.00 H new ATOM 177 N ALA A 13 -3.140 4.846 -8.558 1.00 0.00 N ATOM 178 CA ALA A 13 -2.688 3.839 -9.494 1.00 0.00 C ATOM 179 C ALA A 13 -1.243 3.405 -9.195 1.00 0.00 C ATOM 180 O ALA A 13 -0.974 2.225 -9.109 1.00 0.00 O ATOM 181 CB ALA A 13 -2.821 4.332 -10.919 1.00 0.00 C ATOM 0 H ALA A 13 -3.293 5.764 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.327 2.964 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.475 3.559 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.866 4.562 -11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.218 5.230 -11.051 1.00 0.00 H new ATOM 187 N GLU A 14 -0.326 4.362 -8.990 1.00 0.00 N ATOM 188 CA GLU A 14 1.086 4.024 -8.708 1.00 0.00 C ATOM 189 C GLU A 14 1.273 3.354 -7.371 1.00 0.00 C ATOM 190 O GLU A 14 2.189 2.542 -7.186 1.00 0.00 O ATOM 191 CB GLU A 14 2.012 5.227 -8.836 1.00 0.00 C ATOM 192 CG GLU A 14 2.277 5.627 -10.268 1.00 0.00 C ATOM 193 CD GLU A 14 2.799 4.465 -11.078 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.864 3.907 -10.730 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.157 4.085 -12.076 1.00 0.00 O ATOM 0 H GLU A 14 -0.527 5.362 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 14 1.366 3.304 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.574 6.072 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.960 5.001 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.358 6.002 -10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.000 6.443 -10.292 1.00 0.00 H new ATOM 202 N PHE A 15 0.431 3.676 -6.443 1.00 0.00 N ATOM 203 CA PHE A 15 0.472 3.026 -5.171 1.00 0.00 C ATOM 204 C PHE A 15 -0.169 1.685 -5.299 1.00 0.00 C ATOM 205 O PHE A 15 0.204 0.772 -4.662 1.00 0.00 O ATOM 206 CB PHE A 15 -0.174 3.849 -4.089 1.00 0.00 C ATOM 207 CG PHE A 15 0.170 3.367 -2.722 1.00 0.00 C ATOM 208 CD1 PHE A 15 -0.587 2.391 -2.092 1.00 0.00 C ATOM 209 CD2 PHE A 15 1.256 3.903 -2.057 1.00 0.00 C ATOM 210 CE1 PHE A 15 -0.259 1.967 -0.837 1.00 0.00 C ATOM 211 CE2 PHE A 15 1.585 3.473 -0.802 1.00 0.00 C ATOM 212 CZ PHE A 15 0.825 2.505 -0.196 1.00 0.00 C ATOM 0 H PHE A 15 -0.295 4.386 -6.541 1.00 0.00 H new ATOM 0 HA PHE A 15 1.513 2.906 -4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.137 4.888 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.256 3.826 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.441 1.964 -2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.850 4.669 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.854 1.208 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.438 3.893 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.084 2.164 0.796 1.00 0.00 H new ATOM 222 N LEU A 16 -1.121 1.574 -6.129 1.00 0.00 N ATOM 223 CA LEU A 16 -1.745 0.303 -6.366 1.00 0.00 C ATOM 224 C LEU A 16 -0.775 -0.626 -7.098 1.00 0.00 C ATOM 225 O LEU A 16 -0.874 -1.853 -7.044 1.00 0.00 O ATOM 226 CB LEU A 16 -3.075 0.543 -7.063 1.00 0.00 C ATOM 227 CG LEU A 16 -3.944 -0.624 -7.324 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.370 -0.186 -7.331 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.654 -1.195 -8.643 1.00 0.00 C ATOM 0 H LEU A 16 -1.504 2.347 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.978 -0.221 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.643 1.254 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.869 1.026 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.762 -1.366 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.013 -1.045 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.622 0.247 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.518 0.560 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.303 -2.053 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.831 -0.443 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.612 -1.514 -8.680 1.00 0.00 H new ATOM 241 N GLU A 17 0.163 -0.034 -7.734 1.00 0.00 N ATOM 242 CA GLU A 17 1.251 -0.758 -8.300 1.00 0.00 C ATOM 243 C GLU A 17 2.215 -1.242 -7.200 1.00 0.00 C ATOM 244 O GLU A 17 2.941 -2.198 -7.424 1.00 0.00 O ATOM 245 CB GLU A 17 1.992 0.063 -9.349 1.00 0.00 C ATOM 246 CG GLU A 17 1.133 0.453 -10.545 1.00 0.00 C ATOM 247 CD GLU A 17 0.506 -0.739 -11.229 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.245 -1.546 -11.813 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.737 -0.899 -11.197 1.00 0.00 O ATOM 0 H GLU A 17 0.204 0.974 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 17 0.837 -1.631 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.379 0.968 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.852 -0.507 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.347 1.132 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.745 0.998 -11.264 1.00 0.00 H new ATOM 256 N PHE A 18 2.173 -0.587 -5.994 1.00 0.00 N ATOM 257 CA PHE A 18 3.045 -0.942 -4.827 1.00 0.00 C ATOM 258 C PHE A 18 2.866 -2.382 -4.519 1.00 0.00 C ATOM 259 O PHE A 18 3.798 -3.151 -4.482 1.00 0.00 O ATOM 260 CB PHE A 18 2.726 -0.064 -3.499 1.00 0.00 C ATOM 261 CG PHE A 18 1.888 -0.716 -2.297 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.485 -0.857 -2.329 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.529 -1.161 -1.155 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.215 -1.427 -1.251 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.826 -1.723 -0.089 1.00 0.00 C ATOM 266 CZ PHE A 18 0.464 -1.853 -0.144 1.00 0.00 C ATOM 0 H PHE A 18 1.541 0.192 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 18 4.074 -0.721 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.681 0.265 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.192 0.830 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.062 -0.521 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.603 -1.071 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.289 -1.528 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.361 -2.058 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.072 -2.291 0.685 1.00 0.00 H new ATOM 276 N VAL A 19 1.644 -2.734 -4.397 1.00 0.00 N ATOM 277 CA VAL A 19 1.260 -4.035 -3.945 1.00 0.00 C ATOM 278 C VAL A 19 1.514 -5.106 -4.992 1.00 0.00 C ATOM 279 O VAL A 19 1.970 -6.208 -4.668 1.00 0.00 O ATOM 280 CB VAL A 19 -0.203 -4.024 -3.436 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.173 -3.589 -4.501 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.594 -5.331 -2.792 1.00 0.00 C ATOM 0 H VAL A 19 0.858 -2.120 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 19 1.895 -4.300 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.255 -3.270 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.185 -3.597 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.923 -2.581 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.115 -4.273 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.628 -5.274 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.495 -6.138 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.058 -5.527 -1.941 1.00 0.00 H new ATOM 292 N LYS A 20 1.272 -4.767 -6.237 1.00 0.00 N ATOM 293 CA LYS A 20 1.529 -5.683 -7.328 1.00 0.00 C ATOM 294 C LYS A 20 3.038 -5.959 -7.393 1.00 0.00 C ATOM 295 O LYS A 20 3.492 -7.093 -7.565 1.00 0.00 O ATOM 296 CB LYS A 20 1.092 -5.057 -8.630 1.00 0.00 C ATOM 297 CG LYS A 20 -0.381 -4.781 -8.700 1.00 0.00 C ATOM 298 CD LYS A 20 -0.708 -4.100 -9.983 1.00 0.00 C ATOM 299 CE LYS A 20 -2.166 -3.786 -10.134 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.410 -2.985 -11.356 1.00 0.00 N ATOM 0 H LYS A 20 0.897 -3.862 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 20 0.978 -6.610 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.635 -4.123 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.369 -5.717 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.939 -5.714 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.683 -4.157 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.135 -3.175 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.392 -4.732 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.739 -4.712 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.517 -3.238 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.275 -2.420 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.603 -2.351 -11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.524 -3.621 -12.171 1.00 0.00 H new ATOM 314 N LYS A 21 3.791 -4.885 -7.193 1.00 0.00 N ATOM 315 CA LYS A 21 5.243 -4.877 -7.191 1.00 0.00 C ATOM 316 C LYS A 21 5.774 -5.707 -6.029 1.00 0.00 C ATOM 317 O LYS A 21 6.748 -6.415 -6.172 1.00 0.00 O ATOM 318 CB LYS A 21 5.717 -3.420 -7.078 1.00 0.00 C ATOM 319 CG LYS A 21 7.200 -3.181 -7.162 1.00 0.00 C ATOM 320 CD LYS A 21 7.472 -1.696 -7.003 1.00 0.00 C ATOM 321 CE LYS A 21 8.937 -1.362 -7.135 1.00 0.00 C ATOM 322 NZ LYS A 21 9.486 -1.707 -8.466 1.00 0.00 N ATOM 0 H LYS A 21 3.390 -3.963 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 21 5.622 -5.317 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.235 -2.844 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.362 -3.020 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.716 -3.744 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.584 -3.534 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.907 -1.144 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.113 -1.366 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.080 -0.297 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.497 -1.895 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.434 -1.292 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.549 -2.741 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.861 -1.331 -9.207 1.00 0.00 H new ATOM 336 N ILE A 22 5.115 -5.624 -4.892 1.00 0.00 N ATOM 337 CA ILE A 22 5.506 -6.390 -3.716 1.00 0.00 C ATOM 338 C ILE A 22 5.235 -7.880 -3.923 1.00 0.00 C ATOM 339 O ILE A 22 6.019 -8.737 -3.505 1.00 0.00 O ATOM 340 CB ILE A 22 4.810 -5.874 -2.433 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.212 -4.428 -2.188 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.191 -6.730 -1.232 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.542 -3.789 -1.019 1.00 0.00 C ATOM 0 H ILE A 22 4.298 -5.029 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 22 6.579 -6.251 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 22 3.730 -5.936 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.291 -4.384 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.988 -3.846 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.691 -6.350 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.885 -7.761 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.271 -6.692 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.888 -2.760 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.462 -3.796 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.785 -4.343 -0.112 1.00 0.00 H new ATOM 355 N CYS A 23 4.157 -8.192 -4.606 1.00 0.00 N ATOM 356 CA CYS A 23 3.831 -9.575 -4.907 1.00 0.00 C ATOM 357 C CYS A 23 4.954 -10.207 -5.754 1.00 0.00 C ATOM 358 O CYS A 23 5.325 -11.365 -5.561 1.00 0.00 O ATOM 359 CB CYS A 23 2.490 -9.661 -5.636 1.00 0.00 C ATOM 360 SG CYS A 23 1.989 -11.337 -6.073 1.00 0.00 S ATOM 0 H CYS A 23 3.489 -7.510 -4.965 1.00 0.00 H new ATOM 0 HA CYS A 23 3.745 -10.130 -3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.719 -9.216 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.545 -9.062 -6.545 1.00 0.00 H new ATOM 0 HG CYS A 23 0.842 -11.302 -6.683 1.00 0.00 H new ATOM 366 N ARG A 24 5.528 -9.408 -6.636 1.00 0.00 N ATOM 367 CA ARG A 24 6.606 -9.861 -7.502 1.00 0.00 C ATOM 368 C ARG A 24 7.992 -9.503 -6.938 1.00 0.00 C ATOM 369 O ARG A 24 9.003 -9.692 -7.603 1.00 0.00 O ATOM 370 CB ARG A 24 6.452 -9.313 -8.914 1.00 0.00 C ATOM 371 CG ARG A 24 6.612 -7.825 -9.022 1.00 0.00 C ATOM 372 CD ARG A 24 6.452 -7.388 -10.438 1.00 0.00 C ATOM 373 NE ARG A 24 6.681 -5.956 -10.592 1.00 0.00 N ATOM 374 CZ ARG A 24 5.764 -5.076 -10.970 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.489 -5.450 -11.121 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.108 -3.813 -11.158 1.00 0.00 N ATOM 0 H ARG A 24 5.263 -8.433 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 24 6.535 -10.948 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.188 -9.793 -9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.468 -9.589 -9.292 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.873 -7.327 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.594 -7.530 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.150 -7.938 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.448 -7.635 -10.783 1.00 0.00 H new ATOM 0 HE ARG A 24 7.618 -5.605 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.217 -6.417 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.789 -4.768 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.074 -3.520 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.407 -3.131 -11.449 1.00 0.00 H new ATOM 390 N ALA A 25 8.031 -8.996 -5.705 1.00 0.00 N ATOM 391 CA ALA A 25 9.283 -8.535 -5.049 1.00 0.00 C ATOM 392 C ALA A 25 10.215 -9.680 -4.621 1.00 0.00 C ATOM 393 O ALA A 25 11.124 -9.491 -3.822 1.00 0.00 O ATOM 394 CB ALA A 25 8.978 -7.631 -3.874 1.00 0.00 C ATOM 0 H ALA A 25 7.201 -8.888 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 25 9.824 -7.969 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.911 -7.308 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.423 -6.759 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.380 -8.174 -3.143 1.00 0.00 H new ATOM 400 N GLU A 26 10.034 -10.824 -5.229 1.00 0.00 N ATOM 401 CA GLU A 26 10.844 -12.019 -5.016 1.00 0.00 C ATOM 402 C GLU A 26 12.178 -11.897 -5.799 1.00 0.00 C ATOM 403 O GLU A 26 12.793 -12.899 -6.163 1.00 0.00 O ATOM 404 CB GLU A 26 10.051 -13.223 -5.547 1.00 0.00 C ATOM 405 CG GLU A 26 9.642 -13.074 -7.020 1.00 0.00 C ATOM 406 CD GLU A 26 8.901 -14.264 -7.572 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.556 -15.197 -8.111 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.660 -14.279 -7.526 1.00 0.00 O ATOM 0 H GLU A 26 9.292 -10.965 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 26 11.069 -12.140 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.652 -14.125 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.156 -13.357 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.016 -12.188 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.536 -12.905 -7.620 1.00 0.00 H new ATOM 415 N GLY A 27 12.620 -10.664 -5.994 1.00 0.00 N ATOM 416 CA GLY A 27 13.765 -10.366 -6.807 1.00 0.00 C ATOM 417 C GLY A 27 15.052 -10.879 -6.238 1.00 0.00 C ATOM 418 O GLY A 27 15.622 -11.853 -6.745 1.00 0.00 O ATOM 0 H GLY A 27 12.181 -9.840 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.619 -10.795 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.839 -9.286 -6.935 1.00 0.00 H new ATOM 422 N ALA A 28 15.530 -10.234 -5.219 1.00 0.00 N ATOM 423 CA ALA A 28 16.764 -10.652 -4.618 1.00 0.00 C ATOM 424 C ALA A 28 16.493 -11.643 -3.506 1.00 0.00 C ATOM 425 O ALA A 28 16.794 -12.831 -3.626 1.00 0.00 O ATOM 426 CB ALA A 28 17.556 -9.454 -4.110 1.00 0.00 C ATOM 0 H ALA A 28 15.090 -9.422 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 28 17.371 -11.147 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.487 -9.798 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.781 -8.787 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.968 -8.919 -3.365 1.00 0.00 H new ATOM 432 N THR A 29 15.887 -11.155 -2.457 1.00 0.00 N ATOM 433 CA THR A 29 15.601 -11.927 -1.277 1.00 0.00 C ATOM 434 C THR A 29 14.293 -11.449 -0.676 1.00 0.00 C ATOM 435 O THR A 29 13.679 -10.509 -1.187 1.00 0.00 O ATOM 436 CB THR A 29 16.722 -11.744 -0.234 1.00 0.00 C ATOM 437 OG1 THR A 29 17.045 -10.354 -0.142 1.00 0.00 O ATOM 438 CG2 THR A 29 17.971 -12.556 -0.566 1.00 0.00 C ATOM 0 H THR A 29 15.571 -10.187 -2.398 1.00 0.00 H new ATOM 0 HA THR A 29 15.532 -12.980 -1.551 1.00 0.00 H new ATOM 0 HB THR A 29 16.356 -12.115 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.935 -10.251 0.255 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.728 -12.390 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.717 -13.615 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.361 -12.244 -1.535 1.00 0.00 H new ATOM 446 N GLU A 30 13.887 -12.051 0.424 1.00 0.00 N ATOM 447 CA GLU A 30 12.661 -11.667 1.101 1.00 0.00 C ATOM 448 C GLU A 30 12.787 -10.302 1.780 1.00 0.00 C ATOM 449 O GLU A 30 11.778 -9.672 2.123 1.00 0.00 O ATOM 450 CB GLU A 30 12.222 -12.743 2.083 1.00 0.00 C ATOM 451 CG GLU A 30 13.269 -13.111 3.115 1.00 0.00 C ATOM 452 CD GLU A 30 12.816 -14.221 4.013 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.724 -15.373 3.546 1.00 0.00 O ATOM 454 OE2 GLU A 30 12.581 -13.982 5.209 1.00 0.00 O ATOM 0 H GLU A 30 14.392 -12.815 0.873 1.00 0.00 H new ATOM 0 HA GLU A 30 11.884 -11.570 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.324 -12.403 2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.949 -13.638 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.187 -13.408 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.507 -12.234 3.717 1.00 0.00 H new ATOM 461 N GLU A 31 14.014 -9.832 1.972 1.00 0.00 N ATOM 462 CA GLU A 31 14.198 -8.506 2.519 1.00 0.00 C ATOM 463 C GLU A 31 13.988 -7.457 1.437 1.00 0.00 C ATOM 464 O GLU A 31 13.607 -6.335 1.725 1.00 0.00 O ATOM 465 CB GLU A 31 15.540 -8.331 3.241 1.00 0.00 C ATOM 466 CG GLU A 31 16.773 -8.627 2.426 1.00 0.00 C ATOM 467 CD GLU A 31 18.040 -8.384 3.208 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.242 -9.037 4.253 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.851 -7.522 2.804 1.00 0.00 O ATOM 0 H GLU A 31 14.873 -10.340 1.761 1.00 0.00 H new ATOM 0 HA GLU A 31 13.439 -8.365 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.605 -7.304 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.545 -8.978 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.746 -9.664 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.774 -8.004 1.531 1.00 0.00 H new ATOM 476 N ASP A 32 14.175 -7.872 0.179 1.00 0.00 N ATOM 477 CA ASP A 32 13.943 -7.007 -1.002 1.00 0.00 C ATOM 478 C ASP A 32 12.443 -6.720 -1.101 1.00 0.00 C ATOM 479 O ASP A 32 12.008 -5.671 -1.580 1.00 0.00 O ATOM 480 CB ASP A 32 14.471 -7.709 -2.276 1.00 0.00 C ATOM 481 CG ASP A 32 14.361 -6.896 -3.559 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.766 -5.710 -3.576 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.963 -7.461 -4.602 1.00 0.00 O ATOM 0 H ASP A 32 14.490 -8.813 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 32 14.479 -6.063 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.517 -7.971 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.925 -8.643 -2.409 1.00 0.00 H new ATOM 488 N ASP A 33 11.681 -7.668 -0.604 1.00 0.00 N ATOM 489 CA ASP A 33 10.231 -7.564 -0.449 1.00 0.00 C ATOM 490 C ASP A 33 9.901 -6.652 0.723 1.00 0.00 C ATOM 491 O ASP A 33 9.266 -5.601 0.562 1.00 0.00 O ATOM 492 CB ASP A 33 9.666 -8.971 -0.183 1.00 0.00 C ATOM 493 CG ASP A 33 8.203 -9.018 0.254 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.924 -8.919 1.473 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.339 -9.276 -0.591 1.00 0.00 O ATOM 0 H ASP A 33 12.055 -8.562 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 33 9.790 -7.147 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.776 -9.566 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.273 -9.448 0.586 1.00 0.00 H new ATOM 500 N ASN A 34 10.405 -7.028 1.888 1.00 0.00 N ATOM 501 CA ASN A 34 10.118 -6.344 3.141 1.00 0.00 C ATOM 502 C ASN A 34 10.514 -4.866 3.142 1.00 0.00 C ATOM 503 O ASN A 34 9.779 -4.040 3.673 1.00 0.00 O ATOM 504 CB ASN A 34 10.721 -7.117 4.327 1.00 0.00 C ATOM 505 CG ASN A 34 10.587 -6.409 5.665 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.627 -5.736 6.080 1.00 0.00 O flip ATOM 507 ND2 ASN A 34 9.565 -6.514 6.347 1.00 0.00 N flip ATOM 0 H ASN A 34 11.032 -7.826 1.992 1.00 0.00 H new ATOM 0 HA ASN A 34 9.034 -6.336 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.238 -8.092 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.777 -7.298 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.769 -7.046 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.515 -6.068 7.263 1.00 0.00 H new ATOM 514 N LYS A 35 11.641 -4.520 2.514 1.00 0.00 N ATOM 515 CA LYS A 35 12.066 -3.115 2.459 1.00 0.00 C ATOM 516 C LYS A 35 11.051 -2.253 1.708 1.00 0.00 C ATOM 517 O LYS A 35 10.824 -1.089 2.080 1.00 0.00 O ATOM 518 CB LYS A 35 13.487 -2.947 1.887 1.00 0.00 C ATOM 519 CG LYS A 35 13.694 -3.508 0.491 1.00 0.00 C ATOM 520 CD LYS A 35 15.149 -3.388 0.048 1.00 0.00 C ATOM 521 CE LYS A 35 15.546 -1.958 -0.324 1.00 0.00 C ATOM 522 NZ LYS A 35 14.800 -1.465 -1.509 1.00 0.00 N ATOM 0 H LYS A 35 12.265 -5.176 2.045 1.00 0.00 H new ATOM 0 HA LYS A 35 12.105 -2.761 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.733 -1.885 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.193 -3.430 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.392 -4.555 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.053 -2.978 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.797 -3.742 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.317 -4.040 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.359 -1.298 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.616 -1.920 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.274 -0.622 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.774 -2.208 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.829 -1.219 -1.230 1.00 0.00 H new ATOM 536 N LEU A 36 10.407 -2.839 0.685 1.00 0.00 N ATOM 537 CA LEU A 36 9.370 -2.134 -0.056 1.00 0.00 C ATOM 538 C LEU A 36 8.180 -1.948 0.836 1.00 0.00 C ATOM 539 O LEU A 36 7.709 -0.830 1.021 1.00 0.00 O ATOM 540 CB LEU A 36 8.938 -2.889 -1.328 1.00 0.00 C ATOM 541 CG LEU A 36 9.991 -3.059 -2.418 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.433 -3.885 -3.563 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.447 -1.701 -2.928 1.00 0.00 C ATOM 0 H LEU A 36 10.590 -3.789 0.361 1.00 0.00 H new ATOM 0 HA LEU A 36 9.779 -1.174 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.591 -3.879 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.084 -2.367 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 36 10.849 -3.580 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.195 -3.999 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.141 -4.868 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.563 -3.382 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.199 -1.838 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.594 -1.161 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.876 -1.129 -2.105 1.00 0.00 H new ATOM 555 N VAL A 37 7.741 -3.047 1.439 1.00 0.00 N ATOM 556 CA VAL A 37 6.587 -3.046 2.336 1.00 0.00 C ATOM 557 C VAL A 37 6.764 -1.983 3.408 1.00 0.00 C ATOM 558 O VAL A 37 5.873 -1.198 3.653 1.00 0.00 O ATOM 559 CB VAL A 37 6.383 -4.422 3.031 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.127 -4.406 3.879 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.317 -5.553 2.024 1.00 0.00 C ATOM 0 H VAL A 37 8.173 -3.963 1.321 1.00 0.00 H new ATOM 0 HA VAL A 37 5.709 -2.835 1.726 1.00 0.00 H new ATOM 0 HB VAL A 37 7.246 -4.596 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.999 -5.377 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.213 -3.633 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.264 -4.197 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.174 -6.498 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.483 -5.385 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.247 -5.590 1.457 1.00 0.00 H new ATOM 571 N ARG A 38 7.945 -1.936 3.989 1.00 0.00 N ATOM 572 CA ARG A 38 8.244 -0.987 5.035 1.00 0.00 C ATOM 573 C ARG A 38 8.092 0.453 4.604 1.00 0.00 C ATOM 574 O ARG A 38 7.478 1.238 5.318 1.00 0.00 O ATOM 575 CB ARG A 38 9.611 -1.205 5.608 1.00 0.00 C ATOM 576 CG ARG A 38 9.714 -2.481 6.377 1.00 0.00 C ATOM 577 CD ARG A 38 11.054 -2.611 7.006 1.00 0.00 C ATOM 578 NE ARG A 38 11.334 -1.521 7.936 1.00 0.00 N ATOM 579 CZ ARG A 38 11.596 -1.666 9.239 1.00 0.00 C ATOM 580 NH1 ARG A 38 11.485 -2.857 9.831 1.00 0.00 N ATOM 581 NH2 ARG A 38 11.924 -0.605 9.955 1.00 0.00 N ATOM 0 H ARG A 38 8.721 -2.553 3.749 1.00 0.00 H new ATOM 0 HA ARG A 38 7.499 -1.172 5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.343 -1.212 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.865 -0.370 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.942 -2.511 7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.535 -3.327 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.115 -3.562 7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.818 -2.629 6.229 1.00 0.00 H new ATOM 0 HE ARG A 38 11.329 -0.572 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.197 -3.671 9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.688 -2.953 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.975 0.313 9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.126 -0.704 10.950 1.00 0.00 H new ATOM 595 N GLU A 39 8.611 0.808 3.429 1.00 0.00 N ATOM 596 CA GLU A 39 8.535 2.196 3.015 1.00 0.00 C ATOM 597 C GLU A 39 7.108 2.580 2.714 1.00 0.00 C ATOM 598 O GLU A 39 6.667 3.674 3.071 1.00 0.00 O ATOM 599 CB GLU A 39 9.462 2.548 1.842 1.00 0.00 C ATOM 600 CG GLU A 39 9.110 1.928 0.507 1.00 0.00 C ATOM 601 CD GLU A 39 9.982 2.454 -0.584 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.630 3.476 -1.193 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.059 1.885 -0.831 1.00 0.00 O ATOM 0 H GLU A 39 9.071 0.176 2.773 1.00 0.00 H new ATOM 0 HA GLU A 39 8.896 2.785 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.472 3.632 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.476 2.247 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.215 0.845 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.066 2.135 0.272 1.00 0.00 H new ATOM 610 N PHE A 40 6.380 1.663 2.109 1.00 0.00 N ATOM 611 CA PHE A 40 5.002 1.891 1.781 1.00 0.00 C ATOM 612 C PHE A 40 4.149 1.955 3.037 1.00 0.00 C ATOM 613 O PHE A 40 3.310 2.828 3.170 1.00 0.00 O ATOM 614 CB PHE A 40 4.485 0.845 0.804 1.00 0.00 C ATOM 615 CG PHE A 40 5.095 0.918 -0.586 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.930 2.044 -1.381 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.790 -0.157 -1.107 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.452 2.085 -2.663 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.317 -0.119 -2.378 1.00 0.00 C ATOM 620 CZ PHE A 40 6.147 0.995 -3.159 1.00 0.00 C ATOM 0 H PHE A 40 6.732 0.746 1.835 1.00 0.00 H new ATOM 0 HA PHE A 40 4.931 2.858 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.676 -0.145 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.404 0.951 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.389 2.896 -0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.922 -1.044 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.317 2.965 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.865 -0.967 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.554 1.022 -4.159 1.00 0.00 H new ATOM 630 N GLU A 41 4.426 1.083 3.981 1.00 0.00 N ATOM 631 CA GLU A 41 3.707 1.048 5.234 1.00 0.00 C ATOM 632 C GLU A 41 3.958 2.237 6.138 1.00 0.00 C ATOM 633 O GLU A 41 3.157 2.547 7.012 1.00 0.00 O ATOM 634 CB GLU A 41 3.851 -0.296 5.937 1.00 0.00 C ATOM 635 CG GLU A 41 2.877 -1.273 5.341 1.00 0.00 C ATOM 636 CD GLU A 41 1.515 -0.678 5.437 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.008 -0.606 6.564 1.00 0.00 O ATOM 638 OE2 GLU A 41 0.954 -0.243 4.425 1.00 0.00 O ATOM 0 H GLU A 41 5.158 0.377 3.901 1.00 0.00 H new ATOM 0 HA GLU A 41 2.655 1.149 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.870 -0.669 5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.664 -0.183 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.131 -1.479 4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.916 -2.224 5.873 1.00 0.00 H new ATOM 645 N ARG A 42 5.050 2.914 5.932 1.00 0.00 N ATOM 646 CA ARG A 42 5.319 4.141 6.673 1.00 0.00 C ATOM 647 C ARG A 42 4.681 5.317 5.960 1.00 0.00 C ATOM 648 O ARG A 42 4.465 6.373 6.541 1.00 0.00 O ATOM 649 CB ARG A 42 6.808 4.334 6.895 1.00 0.00 C ATOM 650 CG ARG A 42 7.411 3.201 7.695 1.00 0.00 C ATOM 651 CD ARG A 42 8.911 3.337 7.856 1.00 0.00 C ATOM 652 NE ARG A 42 9.282 4.536 8.611 1.00 0.00 N ATOM 653 CZ ARG A 42 10.513 4.838 9.010 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.530 4.030 8.722 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.723 5.951 9.703 1.00 0.00 N ATOM 0 H ARG A 42 5.774 2.650 5.263 1.00 0.00 H new ATOM 0 HA ARG A 42 4.871 4.068 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.312 4.406 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.978 5.277 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.945 3.168 8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.186 2.254 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.301 2.455 8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.378 3.371 6.872 1.00 0.00 H new ATOM 0 HE ARG A 42 8.537 5.191 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.367 3.174 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.473 4.267 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.942 6.568 9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.665 6.189 10.012 1.00 0.00 H new ATOM 669 N LEU A 43 4.397 5.123 4.696 1.00 0.00 N ATOM 670 CA LEU A 43 3.686 6.092 3.905 1.00 0.00 C ATOM 671 C LEU A 43 2.205 6.034 4.261 1.00 0.00 C ATOM 672 O LEU A 43 1.550 7.063 4.422 1.00 0.00 O ATOM 673 CB LEU A 43 3.902 5.807 2.401 1.00 0.00 C ATOM 674 CG LEU A 43 5.290 6.113 1.841 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.383 5.699 0.381 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.614 7.591 1.991 1.00 0.00 C ATOM 0 H LEU A 43 4.656 4.280 4.184 1.00 0.00 H new ATOM 0 HA LEU A 43 4.063 7.093 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.685 4.754 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.171 6.385 1.836 1.00 0.00 H new ATOM 0 HG LEU A 43 6.020 5.538 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.379 5.925 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.196 4.629 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.640 6.246 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.607 7.789 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.876 8.182 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.592 7.863 3.046 1.00 0.00 H new ATOM 688 N THR A 44 1.705 4.833 4.428 1.00 0.00 N ATOM 689 CA THR A 44 0.314 4.599 4.743 1.00 0.00 C ATOM 690 C THR A 44 0.042 4.804 6.197 1.00 0.00 C ATOM 691 O THR A 44 -1.046 5.289 6.563 1.00 0.00 O ATOM 692 CB THR A 44 -0.051 3.176 4.360 1.00 0.00 C ATOM 693 OG1 THR A 44 0.890 2.307 4.960 1.00 0.00 O ATOM 694 CG2 THR A 44 0.037 3.060 2.887 1.00 0.00 C ATOM 0 H THR A 44 2.258 3.980 4.348 1.00 0.00 H new ATOM 0 HA THR A 44 -0.289 5.312 4.181 1.00 0.00 H new ATOM 0 HB THR A 44 -1.057 2.921 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.739 1.392 4.643 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.221 2.045 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.656 3.763 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.053 3.287 2.564 1.00 0.00 H new ATOM 702 N GLU A 45 1.046 4.442 7.032 1.00 0.00 N ATOM 703 CA GLU A 45 0.941 4.463 8.488 1.00 0.00 C ATOM 704 C GLU A 45 -0.095 3.421 8.863 1.00 0.00 C ATOM 705 O GLU A 45 -0.718 3.474 9.931 1.00 0.00 O ATOM 706 CB GLU A 45 0.511 5.849 8.977 1.00 0.00 C ATOM 707 CG GLU A 45 1.442 6.968 8.583 1.00 0.00 C ATOM 708 CD GLU A 45 0.842 8.322 8.852 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.889 8.807 10.006 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.303 8.944 7.900 1.00 0.00 O ATOM 0 H GLU A 45 1.956 4.126 6.697 1.00 0.00 H new ATOM 0 HA GLU A 45 1.902 4.244 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.483 6.066 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.429 5.828 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.378 6.871 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.684 6.883 7.524 1.00 0.00 H new ATOM 717 N HIS A 46 -0.240 2.442 7.986 1.00 0.00 N ATOM 718 CA HIS A 46 -1.256 1.472 8.121 1.00 0.00 C ATOM 719 C HIS A 46 -0.795 0.344 9.096 1.00 0.00 C ATOM 720 O HIS A 46 0.361 -0.038 9.128 1.00 0.00 O ATOM 721 CB HIS A 46 -1.718 0.958 6.711 1.00 0.00 C ATOM 722 CG HIS A 46 -2.979 0.168 6.753 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.045 -1.120 7.178 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.255 0.572 6.588 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.323 -1.450 7.307 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.106 -0.459 6.946 1.00 0.00 N ATOM 0 H HIS A 46 0.356 2.317 7.168 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.142 1.918 8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.855 1.812 6.048 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.928 0.344 6.280 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.563 1.544 6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.674 -2.408 7.662 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.126 -0.451 6.932 1.00 0.00 H new ATOM 734 N PRO A 47 -1.691 -0.102 9.959 1.00 0.00 N ATOM 735 CA PRO A 47 -1.411 -1.124 10.968 1.00 0.00 C ATOM 736 C PRO A 47 -1.139 -2.479 10.407 1.00 0.00 C ATOM 737 O PRO A 47 -0.139 -3.111 10.706 1.00 0.00 O ATOM 738 CB PRO A 47 -2.709 -1.199 11.747 1.00 0.00 C ATOM 739 CG PRO A 47 -3.733 -0.519 10.942 1.00 0.00 C ATOM 740 CD PRO A 47 -3.031 0.419 10.075 1.00 0.00 C ATOM 0 HA PRO A 47 -0.520 -0.857 11.536 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.989 -2.236 11.931 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.603 -0.720 12.720 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.303 -1.238 10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.444 0.004 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.512 0.489 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.028 1.422 10.501 1.00 0.00 H new ATOM 748 N ASP A 48 -2.007 -2.892 9.564 1.00 0.00 N ATOM 749 CA ASP A 48 -2.017 -4.222 9.083 1.00 0.00 C ATOM 750 C ASP A 48 -1.637 -4.186 7.657 1.00 0.00 C ATOM 751 O ASP A 48 -1.948 -5.065 6.919 1.00 0.00 O ATOM 752 CB ASP A 48 -3.426 -4.837 9.215 1.00 0.00 C ATOM 753 CG ASP A 48 -3.931 -4.923 10.635 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.498 -5.813 11.389 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.782 -4.095 11.033 1.00 0.00 O ATOM 0 H ASP A 48 -2.747 -2.304 9.180 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.321 -4.829 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.126 -4.243 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.416 -5.838 8.783 1.00 0.00 H new ATOM 760 N GLY A 49 -0.949 -3.137 7.282 1.00 0.00 N ATOM 761 CA GLY A 49 -0.576 -2.943 5.864 1.00 0.00 C ATOM 762 C GLY A 49 0.305 -3.997 5.345 1.00 0.00 C ATOM 763 O GLY A 49 0.106 -4.504 4.241 1.00 0.00 O ATOM 0 H GLY A 49 -0.630 -2.402 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.482 -2.906 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.080 -1.978 5.755 1.00 0.00 H new ATOM 767 N SER A 50 1.252 -4.345 6.129 1.00 0.00 N ATOM 768 CA SER A 50 2.122 -5.436 5.790 1.00 0.00 C ATOM 769 C SER A 50 1.303 -6.735 5.725 1.00 0.00 C ATOM 770 O SER A 50 1.398 -7.508 4.760 1.00 0.00 O ATOM 771 CB SER A 50 3.264 -5.505 6.794 1.00 0.00 C ATOM 772 OG SER A 50 2.776 -5.347 8.122 1.00 0.00 O ATOM 0 H SER A 50 1.457 -3.895 7.021 1.00 0.00 H new ATOM 0 HA SER A 50 2.569 -5.285 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.779 -6.461 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.995 -4.727 6.575 1.00 0.00 H new ATOM 0 HG SER A 50 3.524 -5.396 8.753 1.00 0.00 H new ATOM 778 N ASP A 51 0.426 -6.902 6.713 1.00 0.00 N ATOM 779 CA ASP A 51 -0.482 -8.052 6.804 1.00 0.00 C ATOM 780 C ASP A 51 -1.373 -8.141 5.583 1.00 0.00 C ATOM 781 O ASP A 51 -1.598 -9.210 5.088 1.00 0.00 O ATOM 782 CB ASP A 51 -1.362 -7.989 8.065 1.00 0.00 C ATOM 783 CG ASP A 51 -0.595 -8.136 9.352 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.015 -7.137 9.839 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.536 -9.245 9.903 1.00 0.00 O ATOM 0 H ASP A 51 0.322 -6.239 7.481 1.00 0.00 H new ATOM 0 HA ASP A 51 0.147 -8.941 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.894 -7.038 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.115 -8.775 8.010 1.00 0.00 H new ATOM 790 N LEU A 52 -1.830 -6.984 5.080 1.00 0.00 N ATOM 791 CA LEU A 52 -2.701 -6.879 3.883 1.00 0.00 C ATOM 792 C LEU A 52 -2.101 -7.591 2.692 1.00 0.00 C ATOM 793 O LEU A 52 -2.812 -8.094 1.838 1.00 0.00 O ATOM 794 CB LEU A 52 -2.910 -5.404 3.460 1.00 0.00 C ATOM 795 CG LEU A 52 -3.611 -4.462 4.434 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.662 -3.055 3.844 1.00 0.00 C ATOM 797 CD2 LEU A 52 -5.016 -4.955 4.750 1.00 0.00 C ATOM 0 H LEU A 52 -1.606 -6.079 5.494 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.648 -7.337 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.931 -4.981 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.478 -5.403 2.530 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.045 -4.440 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.163 -2.385 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.648 -2.699 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.211 -3.075 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.495 -4.267 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.599 -5.006 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.961 -5.946 5.200 1.00 0.00 H new ATOM 809 N ILE A 53 -0.804 -7.630 2.646 1.00 0.00 N ATOM 810 CA ILE A 53 -0.101 -8.183 1.517 1.00 0.00 C ATOM 811 C ILE A 53 0.104 -9.669 1.708 1.00 0.00 C ATOM 812 O ILE A 53 -0.023 -10.461 0.772 1.00 0.00 O ATOM 813 CB ILE A 53 1.269 -7.495 1.379 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.069 -5.983 1.272 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.034 -8.033 0.165 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.342 -5.198 1.344 1.00 0.00 C ATOM 0 H ILE A 53 -0.198 -7.280 3.388 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.691 -8.016 0.616 1.00 0.00 H new ATOM 0 HB ILE A 53 1.867 -7.714 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.567 -5.758 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.406 -5.656 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.998 -7.530 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.192 -9.105 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.457 -7.847 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.119 -4.134 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.836 -5.392 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.000 -5.495 0.527 1.00 0.00 H new ATOM 828 N TYR A 54 0.372 -10.038 2.924 1.00 0.00 N ATOM 829 CA TYR A 54 0.731 -11.391 3.242 1.00 0.00 C ATOM 830 C TYR A 54 -0.485 -12.273 3.557 1.00 0.00 C ATOM 831 O TYR A 54 -0.451 -13.487 3.341 1.00 0.00 O ATOM 832 CB TYR A 54 1.695 -11.405 4.428 1.00 0.00 C ATOM 833 CG TYR A 54 3.007 -10.661 4.229 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.848 -10.927 3.150 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.399 -9.685 5.130 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.042 -10.235 2.986 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.581 -8.996 4.978 1.00 0.00 C ATOM 838 CZ TYR A 54 5.400 -9.266 3.907 1.00 0.00 C ATOM 839 OH TYR A 54 6.598 -8.583 3.777 1.00 0.00 O ATOM 0 H TYR A 54 0.348 -9.410 3.727 1.00 0.00 H new ATOM 0 HA TYR A 54 1.211 -11.809 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.185 -10.977 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.922 -12.442 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.568 -11.682 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.762 -9.459 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.686 -10.452 2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.865 -8.244 5.699 1.00 0.00 H new ATOM 0 HH TYR A 54 7.095 -8.938 3.011 1.00 0.00 H new ATOM 849 N TYR A 55 -1.541 -11.677 4.074 1.00 0.00 N ATOM 850 CA TYR A 55 -2.704 -12.396 4.507 1.00 0.00 C ATOM 851 C TYR A 55 -3.932 -11.599 4.077 1.00 0.00 C ATOM 852 O TYR A 55 -3.847 -10.392 3.885 1.00 0.00 O ATOM 853 CB TYR A 55 -2.720 -12.496 6.056 1.00 0.00 C ATOM 854 CG TYR A 55 -1.397 -12.872 6.690 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.925 -14.175 6.666 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.610 -11.899 7.297 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.294 -14.496 7.231 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.604 -12.210 7.857 1.00 0.00 C ATOM 859 CZ TYR A 55 1.052 -13.506 7.822 1.00 0.00 C ATOM 860 OH TYR A 55 2.274 -13.815 8.365 1.00 0.00 O ATOM 0 H TYR A 55 -1.608 -10.667 4.203 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.700 -13.397 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.041 -11.537 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.468 -13.233 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.517 -14.949 6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.961 -10.878 7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.651 -15.515 7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.202 -11.440 8.322 1.00 0.00 H new ATOM 0 HH TYR A 55 2.679 -13.005 8.740 1.00 0.00 H new ATOM 870 N PRO A 56 -5.042 -12.253 3.835 1.00 0.00 N ATOM 871 CA PRO A 56 -6.316 -11.573 3.582 1.00 0.00 C ATOM 872 C PRO A 56 -6.940 -11.101 4.911 1.00 0.00 C ATOM 873 O PRO A 56 -6.478 -11.508 5.999 1.00 0.00 O ATOM 874 CB PRO A 56 -7.171 -12.682 2.962 1.00 0.00 C ATOM 875 CG PRO A 56 -6.635 -13.937 3.568 1.00 0.00 C ATOM 876 CD PRO A 56 -5.156 -13.707 3.735 1.00 0.00 C ATOM 0 HA PRO A 56 -6.222 -10.689 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.228 -12.547 3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.082 -12.694 1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.110 -14.143 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.828 -14.796 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.772 -14.201 4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.592 -14.096 2.887 1.00 0.00 H new ATOM 884 N ARG A 57 -7.949 -10.246 4.853 1.00 0.00 N ATOM 885 CA ARG A 57 -8.620 -9.854 6.076 1.00 0.00 C ATOM 886 C ARG A 57 -9.858 -10.744 6.290 1.00 0.00 C ATOM 887 O ARG A 57 -9.740 -11.959 6.407 1.00 0.00 O ATOM 888 CB ARG A 57 -9.094 -8.402 5.993 1.00 0.00 C ATOM 889 CG ARG A 57 -8.058 -7.301 5.988 1.00 0.00 C ATOM 890 CD ARG A 57 -8.798 -5.965 5.925 1.00 0.00 C ATOM 891 NE ARG A 57 -9.864 -5.922 6.958 1.00 0.00 N ATOM 892 CZ ARG A 57 -11.186 -5.807 6.707 1.00 0.00 C ATOM 893 NH1 ARG A 57 -11.619 -5.276 5.567 1.00 0.00 N ATOM 894 NH2 ARG A 57 -12.065 -6.134 7.635 1.00 0.00 N ATOM 0 H ARG A 57 -8.311 -9.823 3.999 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.914 -9.963 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.690 -8.300 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.762 -8.224 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.440 -7.354 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.390 -7.409 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.097 -5.145 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.234 -5.828 4.935 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.575 -5.984 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.950 -4.950 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.620 -5.195 5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.746 -6.474 8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.063 -6.047 7.445 1.00 0.00 H new ATOM 908 N ASP A 58 -11.037 -10.132 6.312 1.00 0.00 N ATOM 909 CA ASP A 58 -12.291 -10.850 6.391 1.00 0.00 C ATOM 910 C ASP A 58 -13.191 -10.485 5.223 1.00 0.00 C ATOM 911 O ASP A 58 -13.501 -11.307 4.366 1.00 0.00 O ATOM 912 CB ASP A 58 -13.005 -10.595 7.722 1.00 0.00 C ATOM 913 CG ASP A 58 -14.295 -11.388 7.861 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.249 -12.576 8.286 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.386 -10.832 7.598 1.00 0.00 O ATOM 0 H ASP A 58 -11.144 -9.118 6.275 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.064 -11.915 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.336 -10.852 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.226 -9.532 7.812 1.00 0.00 H new ATOM 920 N ASP A 59 -13.566 -9.210 5.183 1.00 0.00 N ATOM 921 CA ASP A 59 -14.550 -8.691 4.224 1.00 0.00 C ATOM 922 C ASP A 59 -13.938 -8.043 2.991 1.00 0.00 C ATOM 923 O ASP A 59 -14.668 -7.557 2.137 1.00 0.00 O ATOM 924 CB ASP A 59 -15.487 -7.658 4.904 1.00 0.00 C ATOM 925 CG ASP A 59 -14.761 -6.415 5.430 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.375 -5.531 4.642 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.534 -6.317 6.651 1.00 0.00 O ATOM 0 H ASP A 59 -13.197 -8.500 5.816 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.106 -9.567 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.249 -7.347 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.005 -8.142 5.732 1.00 0.00 H new ATOM 932 N ARG A 60 -12.639 -8.037 2.867 1.00 0.00 N ATOM 933 CA ARG A 60 -12.029 -7.355 1.776 1.00 0.00 C ATOM 934 C ARG A 60 -11.822 -8.291 0.598 1.00 0.00 C ATOM 935 O ARG A 60 -11.580 -9.493 0.774 1.00 0.00 O ATOM 936 CB ARG A 60 -10.695 -6.780 2.221 1.00 0.00 C ATOM 937 CG ARG A 60 -9.923 -6.078 1.132 1.00 0.00 C ATOM 938 CD ARG A 60 -10.387 -4.634 0.870 1.00 0.00 C ATOM 939 NE ARG A 60 -11.817 -4.472 0.513 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.716 -3.792 1.262 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.400 -3.374 2.482 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.931 -3.567 0.790 1.00 0.00 N ATOM 0 H ARG A 60 -11.992 -8.496 3.508 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.689 -6.548 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.870 -6.077 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.081 -7.587 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.866 -6.067 1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.013 -6.651 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.185 -4.040 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.781 -4.218 0.065 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.144 -4.901 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.473 -3.565 2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.084 -2.862 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.189 -3.906 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.610 -3.055 1.353 1.00 0.00 H new ATOM 956 N GLU A 61 -11.952 -7.742 -0.573 1.00 0.00 N ATOM 957 CA GLU A 61 -11.668 -8.434 -1.807 1.00 0.00 C ATOM 958 C GLU A 61 -10.168 -8.662 -1.922 1.00 0.00 C ATOM 959 O GLU A 61 -9.368 -7.773 -1.595 1.00 0.00 O ATOM 960 CB GLU A 61 -12.135 -7.586 -2.990 1.00 0.00 C ATOM 961 CG GLU A 61 -11.774 -8.147 -4.355 1.00 0.00 C ATOM 962 CD GLU A 61 -12.398 -9.494 -4.644 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.894 -10.522 -4.152 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.380 -9.547 -5.409 1.00 0.00 O ATOM 0 H GLU A 61 -12.265 -6.780 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.191 -9.390 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.218 -7.473 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.705 -6.589 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.087 -7.439 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.690 -8.236 -4.426 1.00 0.00 H new ATOM 971 N ASP A 62 -9.796 -9.813 -2.397 1.00 0.00 N ATOM 972 CA ASP A 62 -8.407 -10.121 -2.589 1.00 0.00 C ATOM 973 C ASP A 62 -8.000 -9.683 -3.965 1.00 0.00 C ATOM 974 O ASP A 62 -8.197 -10.409 -4.946 1.00 0.00 O ATOM 975 CB ASP A 62 -8.112 -11.614 -2.419 1.00 0.00 C ATOM 976 CG ASP A 62 -6.638 -11.932 -2.629 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.866 -11.853 -1.655 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.227 -12.283 -3.770 1.00 0.00 O ATOM 0 H ASP A 62 -10.439 -10.560 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.836 -9.590 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.413 -11.931 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.711 -12.185 -3.129 1.00 0.00 H new ATOM 983 N SER A 63 -7.578 -8.465 -4.075 1.00 0.00 N ATOM 984 CA SER A 63 -7.067 -7.985 -5.303 1.00 0.00 C ATOM 985 C SER A 63 -5.997 -6.948 -4.991 1.00 0.00 C ATOM 986 O SER A 63 -6.037 -6.345 -3.898 1.00 0.00 O ATOM 987 CB SER A 63 -8.227 -7.377 -6.119 1.00 0.00 C ATOM 988 OG SER A 63 -8.849 -6.313 -5.416 1.00 0.00 O ATOM 0 H SER A 63 -7.581 -7.783 -3.316 1.00 0.00 H new ATOM 0 HA SER A 63 -6.621 -8.784 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.850 -7.013 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.963 -8.150 -6.340 1.00 0.00 H new ATOM 0 HG SER A 63 -9.579 -5.946 -5.957 1.00 0.00 H new ATOM 994 N PRO A 64 -4.986 -6.747 -5.884 1.00 0.00 N ATOM 995 CA PRO A 64 -4.018 -5.652 -5.728 1.00 0.00 C ATOM 996 C PRO A 64 -4.766 -4.299 -5.593 1.00 0.00 C ATOM 997 O PRO A 64 -4.307 -3.391 -4.925 1.00 0.00 O ATOM 998 CB PRO A 64 -3.148 -5.745 -7.024 1.00 0.00 C ATOM 999 CG PRO A 64 -3.255 -7.177 -7.417 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.659 -7.608 -7.048 1.00 0.00 C ATOM 0 HA PRO A 64 -3.401 -5.723 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.523 -5.086 -7.807 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.114 -5.458 -6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.076 -7.303 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.512 -7.781 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.357 -7.453 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.700 -8.666 -6.790 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.958 -4.224 -6.189 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.829 -3.063 -6.048 1.00 0.00 C ATOM 1010 C GLU A 65 -7.405 -2.976 -4.626 1.00 0.00 C ATOM 1011 O GLU A 65 -7.335 -1.926 -3.987 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.975 -3.111 -7.067 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.546 -2.984 -8.521 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.671 -3.267 -9.474 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.009 -4.457 -9.664 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.242 -2.314 -10.051 1.00 0.00 O ATOM 0 H GLU A 65 -6.342 -4.963 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.225 -2.176 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.513 -4.051 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.678 -2.309 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.167 -1.978 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.725 -3.674 -8.717 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.954 -4.086 -4.146 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.598 -4.153 -2.840 1.00 0.00 C ATOM 1025 C GLY A 66 -7.686 -3.806 -1.688 1.00 0.00 C ATOM 1026 O GLY A 66 -8.100 -3.131 -0.758 1.00 0.00 O ATOM 0 H GLY A 66 -7.965 -4.970 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.451 -3.475 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.989 -5.159 -2.690 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.450 -4.250 -1.754 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.461 -3.952 -0.713 1.00 0.00 C ATOM 1032 C ILE A 67 -5.237 -2.430 -0.591 1.00 0.00 C ATOM 1033 O ILE A 67 -5.199 -1.867 0.510 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.131 -4.707 -0.999 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.370 -6.228 -0.870 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.006 -4.234 -0.075 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.181 -7.095 -1.228 1.00 0.00 C ATOM 0 H ILE A 67 -6.094 -4.823 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.844 -4.302 0.245 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.810 -4.485 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.666 -6.448 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.208 -6.505 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.093 -4.783 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.836 -3.168 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.288 -4.414 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.447 -8.145 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.895 -6.911 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.344 -6.854 -0.572 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.175 -1.781 -1.726 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.993 -0.336 -1.808 1.00 0.00 C ATOM 1051 C VAL A 68 -6.268 0.369 -1.373 1.00 0.00 C ATOM 1052 O VAL A 68 -6.243 1.420 -0.712 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.646 0.052 -3.257 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.488 1.562 -3.421 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.379 -0.653 -3.634 1.00 0.00 C ATOM 0 H VAL A 68 -5.249 -2.237 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.180 -0.033 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.463 -0.248 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.244 1.792 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.420 2.057 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.687 1.917 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.110 -0.395 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.578 -0.347 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.526 -1.730 -3.558 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.368 -0.246 -1.705 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.669 0.270 -1.410 1.00 0.00 C ATOM 1067 C LYS A 69 -8.916 0.203 0.099 1.00 0.00 C ATOM 1068 O LYS A 69 -9.537 1.084 0.664 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.714 -0.521 -2.220 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.042 0.183 -2.421 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.004 -0.014 -1.281 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.204 0.894 -1.483 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.302 0.632 -0.524 1.00 0.00 N ATOM 0 H LYS A 69 -7.382 -1.139 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.749 1.318 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.292 -0.753 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.897 -1.471 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.862 1.250 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.501 -0.180 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.324 -1.055 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.516 0.213 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.886 1.932 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.580 0.769 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.195 0.513 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.095 -0.235 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.388 1.434 0.133 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.384 -0.822 0.740 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.478 -0.961 2.189 1.00 0.00 C ATOM 1089 C GLU A 70 -7.707 0.190 2.838 1.00 0.00 C ATOM 1090 O GLU A 70 -8.224 0.892 3.711 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.883 -2.300 2.634 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.169 -2.655 4.086 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.645 -2.858 4.341 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.197 -3.870 3.869 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.280 -2.028 5.034 1.00 0.00 O ATOM 0 H GLU A 70 -7.878 -1.578 0.279 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.524 -0.932 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.275 -3.090 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.804 -2.274 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.628 -3.563 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.795 -1.862 4.733 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.478 0.398 2.355 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.622 1.472 2.815 1.00 0.00 C ATOM 1104 C ILE A 71 -6.283 2.832 2.700 1.00 0.00 C ATOM 1105 O ILE A 71 -6.246 3.617 3.654 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.250 1.448 2.097 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.411 0.383 2.741 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.527 2.801 2.184 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.170 0.044 2.000 1.00 0.00 C ATOM 0 H ILE A 71 -6.056 -0.183 1.630 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.447 1.299 3.877 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.410 1.240 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.142 0.709 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.012 -0.520 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.570 2.736 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.140 3.572 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.357 3.056 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.626 -0.733 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.428 -0.316 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.543 0.932 1.914 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.881 3.127 1.551 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.531 4.374 1.381 1.00 0.00 C ATOM 1123 C LYS A 72 -8.677 4.527 2.342 1.00 0.00 C ATOM 1124 O LYS A 72 -8.723 5.495 3.019 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.983 4.615 -0.054 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.226 3.907 -0.503 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.453 3.999 -2.009 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.975 5.372 -2.447 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.001 6.478 -2.312 1.00 0.00 N ATOM 0 H LYS A 72 -6.917 2.508 0.741 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.790 5.141 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.137 5.686 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.169 4.326 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.165 2.858 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.086 4.331 0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.517 3.789 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.164 3.231 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.291 5.310 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.861 5.613 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.380 7.332 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.832 6.670 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.106 6.210 -2.768 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.525 3.506 2.466 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.728 3.603 3.281 1.00 0.00 C ATOM 1145 C GLU A 73 -10.409 3.787 4.744 1.00 0.00 C ATOM 1146 O GLU A 73 -11.053 4.585 5.431 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.620 2.396 3.070 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.164 2.286 1.662 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.147 3.369 1.319 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.781 4.558 1.265 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.322 3.045 1.101 1.00 0.00 O ATOM 0 H GLU A 73 -9.398 2.602 2.010 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.267 4.493 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.057 1.493 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.454 2.443 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.335 2.321 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.646 1.316 1.541 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.404 3.083 5.202 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.958 3.183 6.565 1.00 0.00 C ATOM 1160 C TRP A 74 -8.462 4.604 6.832 1.00 0.00 C ATOM 1161 O TRP A 74 -8.919 5.281 7.753 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.841 2.177 6.797 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.384 2.070 8.212 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.993 1.384 9.209 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.209 2.636 8.779 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.269 1.481 10.358 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.171 2.243 10.124 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.187 3.434 8.279 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.151 2.614 10.970 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.169 3.805 9.118 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.157 3.390 10.456 1.00 0.00 C ATOM 0 H TRP A 74 -8.872 2.422 4.636 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.780 2.965 7.247 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.179 1.196 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.989 2.450 6.174 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.920 0.839 9.107 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.513 1.051 11.250 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.195 3.756 7.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.139 2.301 12.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.367 4.424 8.744 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.340 3.693 11.095 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.586 5.082 5.973 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.003 6.398 6.142 1.00 0.00 C ATOM 1184 C ARG A 75 -8.041 7.485 5.909 1.00 0.00 C ATOM 1185 O ARG A 75 -8.022 8.525 6.567 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.813 6.573 5.225 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.743 5.532 5.467 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.538 5.769 4.616 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.875 5.989 3.215 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.244 6.863 2.435 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.302 7.658 2.948 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.578 6.991 1.162 1.00 0.00 N ATOM 0 H ARG A 75 -7.261 4.578 5.148 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.653 6.489 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.145 6.515 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.389 7.567 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.454 5.545 6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.146 4.541 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.995 6.634 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.868 4.913 4.695 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.636 5.443 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.066 7.596 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.819 8.328 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.325 6.417 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.089 7.664 0.572 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.961 7.201 5.016 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.064 8.073 4.671 1.00 0.00 C ATOM 1208 C ALA A 76 -10.962 8.307 5.893 1.00 0.00 C ATOM 1209 O ALA A 76 -11.423 9.426 6.139 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.871 7.451 3.499 1.00 0.00 C ATOM 0 H ALA A 76 -8.963 6.327 4.491 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.674 9.040 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.701 8.108 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.220 7.330 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.259 6.478 3.800 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.141 7.258 6.695 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.019 7.295 7.854 1.00 0.00 C ATOM 1218 C ALA A 77 -11.286 7.880 9.030 1.00 0.00 C ATOM 1219 O ALA A 77 -11.866 8.516 9.907 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.530 5.898 8.179 1.00 0.00 C ATOM 0 H ALA A 77 -10.679 6.360 6.555 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.879 7.926 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.185 5.944 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.085 5.506 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.686 5.243 8.395 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.999 7.633 9.051 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.124 8.107 10.093 1.00 0.00 C ATOM 1228 C ASN A 78 -8.839 9.592 9.966 1.00 0.00 C ATOM 1229 O ASN A 78 -8.534 10.259 10.949 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.803 7.341 10.070 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.825 5.938 10.681 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.798 5.473 11.139 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.958 5.283 10.725 1.00 0.00 N ATOM 0 H ASN A 78 -9.523 7.088 8.332 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.637 7.936 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.473 7.259 9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.055 7.933 10.597 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.996 4.357 11.152 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.803 5.699 10.333 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.932 10.103 8.761 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.622 11.496 8.532 1.00 0.00 C ATOM 1242 C GLY A 79 -7.142 11.667 8.280 1.00 0.00 C ATOM 1243 O GLY A 79 -6.520 12.646 8.709 1.00 0.00 O ATOM 0 H GLY A 79 -9.217 9.582 7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.189 11.867 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.922 12.090 9.396 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.583 10.703 7.597 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.197 10.672 7.280 1.00 0.00 C ATOM 1249 C LYS A 80 -4.957 11.150 5.853 1.00 0.00 C ATOM 1250 O LYS A 80 -5.868 11.682 5.201 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.687 9.258 7.477 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.516 8.862 8.933 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.054 7.430 9.044 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.591 7.067 10.459 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.653 7.080 11.488 1.00 0.00 N ATOM 0 H LYS A 80 -7.102 9.900 7.240 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.653 11.348 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.379 8.563 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.729 9.154 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.792 9.521 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.460 8.987 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.867 6.766 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.236 7.261 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.142 6.074 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.808 7.763 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.232 6.906 12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.125 8.007 11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.349 6.336 11.278 1.00 0.00 H new ATOM 1269 N SER A 81 -3.740 10.980 5.387 1.00 0.00 N ATOM 1270 CA SER A 81 -3.334 11.352 4.073 1.00 0.00 C ATOM 1271 C SER A 81 -4.045 10.504 2.982 1.00 0.00 C ATOM 1272 O SER A 81 -4.782 9.549 3.298 1.00 0.00 O ATOM 1273 CB SER A 81 -1.839 11.177 4.026 1.00 0.00 C ATOM 1274 OG SER A 81 -1.211 11.967 5.033 1.00 0.00 O ATOM 0 H SER A 81 -2.990 10.565 5.939 1.00 0.00 H new ATOM 0 HA SER A 81 -3.614 12.384 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.585 10.127 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.464 11.465 3.044 1.00 0.00 H new ATOM 0 HG SER A 81 -0.240 11.840 4.990 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.809 10.826 1.716 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.488 10.133 0.649 1.00 0.00 C ATOM 1282 C GLY A 82 -3.538 9.712 -0.428 1.00 0.00 C ATOM 1283 O GLY A 82 -2.398 9.330 -0.127 1.00 0.00 O ATOM 0 H GLY A 82 -3.161 11.553 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.996 9.256 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.256 10.780 0.225 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.018 9.668 -1.646 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.204 9.453 -2.779 1.00 0.00 C ATOM 1289 C PHE A 83 -3.370 10.635 -3.699 1.00 0.00 C ATOM 1290 O PHE A 83 -4.318 11.415 -3.553 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.590 8.180 -3.523 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.505 6.912 -2.697 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.279 6.509 -2.218 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.630 6.113 -2.410 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.150 5.365 -1.478 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.487 4.957 -1.662 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.244 4.587 -1.198 1.00 0.00 C ATOM 0 H PHE A 83 -5.008 9.785 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.170 9.341 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.609 8.288 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.943 8.074 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.404 7.106 -2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.605 6.403 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.177 5.072 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.350 4.345 -1.442 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.131 3.685 -0.614 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.481 10.777 -4.611 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.515 11.833 -5.567 1.00 0.00 C ATOM 1309 C LYS A 84 -3.506 11.483 -6.643 1.00 0.00 C ATOM 1310 O LYS A 84 -3.441 10.420 -7.242 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.118 12.039 -6.118 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.958 13.140 -7.148 1.00 0.00 C ATOM 1313 CD LYS A 84 0.519 13.465 -7.366 1.00 0.00 C ATOM 1314 CE LYS A 84 1.297 12.270 -7.896 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.744 12.549 -8.052 1.00 0.00 N ATOM 0 H LYS A 84 -1.686 10.148 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.835 12.770 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.449 12.251 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.784 11.102 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.411 12.832 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.487 14.034 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.607 14.294 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.960 13.795 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.165 11.427 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.883 11.972 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.277 11.658 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.914 12.997 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.058 13.188 -7.294 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.407 12.380 -6.872 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.531 12.187 -7.792 1.00 0.00 C ATOM 1331 C GLN A 85 -5.164 12.411 -9.271 1.00 0.00 C ATOM 1332 O GLN A 85 -6.037 12.711 -10.098 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.750 13.062 -7.379 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.515 14.590 -7.295 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.614 15.021 -6.140 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.567 14.368 -5.099 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -4.902 16.094 -6.315 1.00 0.00 N ATOM 0 H GLN A 85 -4.402 13.297 -6.425 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.809 11.136 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.555 12.881 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.101 12.718 -6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.074 14.931 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.479 15.090 -7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.966 16.611 -7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.279 16.419 -5.576 1.00 0.00 H new ATOM 1346 N GLY A 86 -3.922 12.194 -9.604 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.469 12.371 -10.955 1.00 0.00 C ATOM 1348 C GLY A 86 -2.525 13.528 -11.058 1.00 0.00 C ATOM 1349 O GLY A 86 -1.314 13.328 -10.931 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.997 14.677 -11.228 1.00 0.00 O ATOM 0 H GLY A 86 -3.199 11.891 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.975 11.462 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.324 12.536 -11.610 1.00 0.00 H new TER 1354 GLY A 86