USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 Single : A 4 GLN :FLIP amide:sc= -0.833 F(o=-2.6!,f=-0.83) USER MOD Single : A 5 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.52) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0416 (180deg=-0.276) USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.304) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.193 F(o=-1.6,f=-0.19) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= -0.411 (180deg=-0.439) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.36 K(o=-2.4,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.78 K(o=-1.8,f=-6.6!) USER MOD Single : A 82 MET CE :methyl 158:sc= -0.483 (180deg=-1.36!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -111:sc= -0.0552 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 122:sc= 0.445 USER MOD Single : A 92 ASN : amide:sc= -2.55 K(o=-2.5,f=-9.4!) USER MOD Single : A 93 TYR OH : rot 30:sc= -0.995 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.572 F(o=-0.53,f=0.57) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 12.053 -3.653 4.878 1.00 21.03 N ATOM 19 CA ALA A 3 10.929 -4.523 4.556 1.00 30.10 C ATOM 20 C ALA A 3 10.208 -4.978 5.822 1.00 34.02 C ATOM 21 O ALA A 3 10.663 -5.890 6.511 1.00 63.35 O ATOM 22 CB ALA A 3 11.404 -5.726 3.756 1.00 40.34 C ATOM 0 HA ALA A 3 10.223 -3.955 3.950 1.00 30.10 H new ATOM 0 HB1 ALA A 3 10.554 -6.367 3.523 1.00 40.34 H new ATOM 0 HB2 ALA A 3 11.868 -5.387 2.830 1.00 40.34 H new ATOM 0 HB3 ALA A 3 12.132 -6.288 4.341 1.00 40.34 H new ATOM 28 N GLN A 4 9.084 -4.336 6.120 1.00 61.52 N ATOM 29 CA GLN A 4 8.301 -4.675 7.302 1.00 34.05 C ATOM 30 C GLN A 4 7.207 -5.681 6.962 1.00 44.54 C ATOM 31 O GLN A 4 6.512 -5.543 5.955 1.00 10.43 O ATOM 32 CB GLN A 4 7.679 -3.415 7.907 1.00 41.43 C ATOM 33 CG GLN A 4 7.717 -3.387 9.426 1.00 42.11 C ATOM 34 CD GLN A 4 6.939 -2.223 10.008 1.00 11.14 C ATOM 35 OE1 GLN A 4 5.699 -2.478 10.405 1.00 14.23 O flip ATOM 36 NE2 GLN A 4 7.448 -1.106 10.099 1.00 25.43 N flip ATOM 0 H GLN A 4 8.695 -3.578 5.559 1.00 61.52 H new ATOM 0 HA GLN A 4 8.972 -5.128 8.032 1.00 34.05 H new ATOM 0 HB2 GLN A 4 8.204 -2.540 7.523 1.00 41.43 H new ATOM 0 HB3 GLN A 4 6.643 -3.336 7.576 1.00 41.43 H new ATOM 0 HG2 GLN A 4 7.310 -4.321 9.813 1.00 42.11 H new ATOM 0 HG3 GLN A 4 8.753 -3.329 9.759 1.00 42.11 H new ATOM 0 HE21 GLN A 4 8.405 -0.954 9.781 1.00 25.43 H new ATOM 0 HE22 GLN A 4 6.913 -0.332 10.492 1.00 25.43 H new ATOM 43 N ASN A 5 7.061 -6.697 7.808 1.00 51.25 N ATOM 44 CA ASN A 5 6.053 -7.729 7.595 1.00 62.42 C ATOM 45 C ASN A 5 4.740 -7.356 8.278 1.00 71.11 C ATOM 46 O ASN A 5 4.700 -7.124 9.486 1.00 2.41 O ATOM 47 CB ASN A 5 6.551 -9.075 8.124 1.00 63.34 C ATOM 48 CG ASN A 5 6.723 -9.076 9.630 1.00 22.42 C ATOM 49 OD1 ASN A 5 5.822 -9.474 10.371 1.00 70.35 O ATOM 50 ND2 ASN A 5 7.884 -8.627 10.094 1.00 41.21 N ATOM 0 H ASN A 5 7.628 -6.827 8.646 1.00 51.25 H new ATOM 0 HA ASN A 5 5.874 -7.811 6.523 1.00 62.42 H new ATOM 0 HB2 ASN A 5 5.846 -9.857 7.841 1.00 63.34 H new ATOM 0 HB3 ASN A 5 7.503 -9.318 7.652 1.00 63.34 H new ATOM 0 HD21 ASN A 5 8.056 -8.602 11.099 1.00 41.21 H new ATOM 0 HD22 ASN A 5 8.603 -8.307 9.445 1.00 41.21 H new ATOM 56 N ILE A 6 3.668 -7.298 7.494 1.00 64.24 N ATOM 57 CA ILE A 6 2.353 -6.955 8.023 1.00 15.43 C ATOM 58 C ILE A 6 1.324 -8.023 7.674 1.00 60.24 C ATOM 59 O ILE A 6 1.131 -8.357 6.504 1.00 4.42 O ATOM 60 CB ILE A 6 1.868 -5.596 7.487 1.00 35.12 C ATOM 61 CG1 ILE A 6 2.361 -4.461 8.389 1.00 52.21 C ATOM 62 CG2 ILE A 6 0.351 -5.577 7.385 1.00 42.11 C ATOM 63 CD1 ILE A 6 3.869 -4.395 8.506 1.00 24.24 C ATOM 0 H ILE A 6 3.684 -7.484 6.491 1.00 64.24 H new ATOM 0 HA ILE A 6 2.455 -6.894 9.106 1.00 15.43 H new ATOM 0 HB ILE A 6 2.281 -5.448 6.489 1.00 35.12 H new ATOM 0 HG12 ILE A 6 1.993 -3.512 8.000 1.00 52.21 H new ATOM 0 HG13 ILE A 6 1.932 -4.585 9.383 1.00 52.21 H new ATOM 0 HG21 ILE A 6 0.024 -4.609 7.005 1.00 42.11 H new ATOM 0 HG22 ILE A 6 0.022 -6.364 6.706 1.00 42.11 H new ATOM 0 HG23 ILE A 6 -0.082 -5.744 8.371 1.00 42.11 H new ATOM 0 HD11 ILE A 6 4.147 -3.568 9.159 1.00 24.24 H new ATOM 0 HD12 ILE A 6 4.243 -5.330 8.924 1.00 24.24 H new ATOM 0 HD13 ILE A 6 4.304 -4.239 7.519 1.00 24.24 H new ATOM 74 N THR A 7 0.661 -8.556 8.696 1.00 3.43 N ATOM 75 CA THR A 7 -0.350 -9.587 8.498 1.00 40.25 C ATOM 76 C THR A 7 -1.729 -8.972 8.289 1.00 35.51 C ATOM 77 O THR A 7 -2.061 -7.951 8.891 1.00 41.04 O ATOM 78 CB THR A 7 -0.409 -10.554 9.694 1.00 13.15 C ATOM 79 OG1 THR A 7 -0.161 -9.842 10.912 1.00 23.32 O ATOM 80 CG2 THR A 7 0.611 -11.672 9.537 1.00 61.51 C ATOM 0 H THR A 7 0.807 -8.290 9.670 1.00 3.43 H new ATOM 0 HA THR A 7 -0.063 -10.142 7.605 1.00 40.25 H new ATOM 0 HB THR A 7 -1.405 -10.995 9.728 1.00 13.15 H new ATOM 0 HG1 THR A 7 -0.202 -10.464 11.668 1.00 23.32 H new ATOM 0 HG21 THR A 7 0.551 -12.343 10.394 1.00 61.51 H new ATOM 0 HG22 THR A 7 0.402 -12.230 8.624 1.00 61.51 H new ATOM 0 HG23 THR A 7 1.612 -11.245 9.480 1.00 61.51 H new ATOM 88 N ALA A 8 -2.527 -9.598 7.431 1.00 33.22 N ATOM 89 CA ALA A 8 -3.872 -9.111 7.145 1.00 41.42 C ATOM 90 C ALA A 8 -4.857 -10.269 7.011 1.00 11.11 C ATOM 91 O ALA A 8 -4.456 -11.426 6.882 1.00 71.14 O ATOM 92 CB ALA A 8 -3.870 -8.269 5.878 1.00 71.34 C ATOM 0 H ALA A 8 -2.267 -10.443 6.922 1.00 33.22 H new ATOM 0 HA ALA A 8 -4.193 -8.489 7.981 1.00 41.42 H new ATOM 0 HB1 ALA A 8 -4.880 -7.912 5.677 1.00 71.34 H new ATOM 0 HB2 ALA A 8 -3.203 -7.417 6.009 1.00 71.34 H new ATOM 0 HB3 ALA A 8 -3.525 -8.874 5.040 1.00 71.34 H new ATOM 98 N ARG A 9 -6.146 -9.949 7.045 1.00 61.32 N ATOM 99 CA ARG A 9 -7.188 -10.962 6.930 1.00 43.13 C ATOM 100 C ARG A 9 -8.122 -10.652 5.763 1.00 40.21 C ATOM 101 O ARG A 9 -8.301 -9.491 5.391 1.00 11.04 O ATOM 102 CB ARG A 9 -7.990 -11.050 8.229 1.00 71.30 C ATOM 103 CG ARG A 9 -7.618 -12.242 9.095 1.00 53.41 C ATOM 104 CD ARG A 9 -6.672 -11.841 10.217 1.00 71.23 C ATOM 105 NE ARG A 9 -6.811 -12.707 11.386 1.00 53.23 N ATOM 106 CZ ARG A 9 -5.981 -12.679 12.423 1.00 61.23 C ATOM 107 NH1 ARG A 9 -4.959 -11.835 12.437 1.00 21.31 N ATOM 108 NH2 ARG A 9 -6.173 -13.500 13.449 1.00 72.43 N ATOM 0 H ARG A 9 -6.494 -8.996 7.151 1.00 61.32 H new ATOM 0 HA ARG A 9 -6.707 -11.922 6.743 1.00 43.13 H new ATOM 0 HB2 ARG A 9 -7.840 -10.135 8.802 1.00 71.30 H new ATOM 0 HB3 ARG A 9 -9.052 -11.104 7.988 1.00 71.30 H new ATOM 0 HG2 ARG A 9 -8.521 -12.682 9.518 1.00 53.41 H new ATOM 0 HG3 ARG A 9 -7.149 -13.009 8.479 1.00 53.41 H new ATOM 0 HD2 ARG A 9 -5.644 -11.881 9.856 1.00 71.23 H new ATOM 0 HD3 ARG A 9 -6.869 -10.808 10.505 1.00 71.23 H new ATOM 0 HE ARG A 9 -7.587 -13.369 11.407 1.00 53.23 H new ATOM 0 HH11 ARG A 9 -4.808 -11.204 11.650 1.00 21.31 H new ATOM 0 HH12 ARG A 9 -4.324 -11.816 13.235 1.00 21.31 H new ATOM 0 HH21 ARG A 9 -6.958 -14.152 13.441 1.00 72.43 H new ATOM 0 HH22 ARG A 9 -5.536 -13.479 14.245 1.00 72.43 H new ATOM 119 N ILE A 10 -8.712 -11.695 5.192 1.00 73.41 N ATOM 120 CA ILE A 10 -9.628 -11.533 4.069 1.00 41.33 C ATOM 121 C ILE A 10 -10.841 -10.700 4.464 1.00 21.33 C ATOM 122 O ILE A 10 -11.588 -11.063 5.372 1.00 65.45 O ATOM 123 CB ILE A 10 -10.108 -12.896 3.532 1.00 10.10 C ATOM 124 CG1 ILE A 10 -8.911 -13.809 3.253 1.00 42.12 C ATOM 125 CG2 ILE A 10 -10.940 -12.706 2.273 1.00 54.04 C ATOM 126 CD1 ILE A 10 -8.082 -13.373 2.066 1.00 75.12 C ATOM 0 H ILE A 10 -8.573 -12.661 5.488 1.00 73.41 H new ATOM 0 HA ILE A 10 -9.076 -11.016 3.284 1.00 41.33 H new ATOM 0 HB ILE A 10 -10.733 -13.369 4.290 1.00 10.10 H new ATOM 0 HG12 ILE A 10 -8.275 -13.841 4.138 1.00 42.12 H new ATOM 0 HG13 ILE A 10 -9.271 -14.824 3.082 1.00 42.12 H new ATOM 0 HG21 ILE A 10 -11.272 -13.677 1.906 1.00 54.04 H new ATOM 0 HG22 ILE A 10 -11.809 -12.088 2.501 1.00 54.04 H new ATOM 0 HG23 ILE A 10 -10.337 -12.216 1.509 1.00 54.04 H new ATOM 0 HD11 ILE A 10 -7.252 -14.066 1.928 1.00 75.12 H new ATOM 0 HD12 ILE A 10 -8.703 -13.368 1.170 1.00 75.12 H new ATOM 0 HD13 ILE A 10 -7.692 -12.370 2.243 1.00 75.12 H new ATOM 137 N GLY A 11 -11.033 -9.579 3.774 1.00 51.23 N ATOM 138 CA GLY A 11 -12.159 -8.712 4.067 1.00 52.41 C ATOM 139 C GLY A 11 -11.916 -7.837 5.280 1.00 75.23 C ATOM 140 O GLY A 11 -12.836 -7.193 5.782 1.00 74.42 O ATOM 0 H GLY A 11 -10.429 -9.257 3.018 1.00 51.23 H new ATOM 0 HA2 GLY A 11 -12.362 -8.081 3.202 1.00 52.41 H new ATOM 0 HA3 GLY A 11 -13.048 -9.320 4.234 1.00 52.41 H new ATOM 144 N GLU A 12 -10.675 -7.814 5.753 1.00 52.30 N ATOM 145 CA GLU A 12 -10.315 -7.014 6.918 1.00 34.14 C ATOM 146 C GLU A 12 -9.615 -5.724 6.496 1.00 2.01 C ATOM 147 O GLU A 12 -8.804 -5.703 5.569 1.00 25.34 O ATOM 148 CB GLU A 12 -9.411 -7.815 7.857 1.00 33.01 C ATOM 149 CG GLU A 12 -10.168 -8.776 8.759 1.00 74.34 C ATOM 150 CD GLU A 12 -11.241 -8.084 9.577 1.00 54.53 C ATOM 151 OE1 GLU A 12 -10.884 -7.286 10.469 1.00 3.13 O ATOM 152 OE2 GLU A 12 -12.436 -8.341 9.326 1.00 21.43 O ATOM 0 H GLU A 12 -9.901 -8.340 5.348 1.00 52.30 H new ATOM 0 HA GLU A 12 -11.233 -6.754 7.446 1.00 34.14 H new ATOM 0 HB2 GLU A 12 -8.692 -8.378 7.262 1.00 33.01 H new ATOM 0 HB3 GLU A 12 -8.840 -7.123 8.476 1.00 33.01 H new ATOM 0 HG2 GLU A 12 -10.626 -9.555 8.150 1.00 74.34 H new ATOM 0 HG3 GLU A 12 -9.465 -9.268 9.431 1.00 74.34 H new ATOM 157 N PRO A 13 -9.935 -4.623 7.192 1.00 11.01 N ATOM 158 CA PRO A 13 -9.348 -3.310 6.909 1.00 22.23 C ATOM 159 C PRO A 13 -7.873 -3.240 7.288 1.00 35.13 C ATOM 160 O PRO A 13 -7.449 -3.823 8.286 1.00 22.11 O ATOM 161 CB PRO A 13 -10.170 -2.360 7.782 1.00 32.15 C ATOM 162 CG PRO A 13 -10.674 -3.209 8.897 1.00 71.34 C ATOM 163 CD PRO A 13 -10.892 -4.575 8.310 1.00 62.41 C ATOM 0 HA PRO A 13 -9.379 -3.070 5.846 1.00 22.23 H new ATOM 0 HB2 PRO A 13 -9.560 -1.538 8.155 1.00 32.15 H new ATOM 0 HB3 PRO A 13 -10.992 -1.917 7.219 1.00 32.15 H new ATOM 0 HG2 PRO A 13 -9.955 -3.246 9.715 1.00 71.34 H new ATOM 0 HG3 PRO A 13 -11.601 -2.807 9.305 1.00 71.34 H new ATOM 0 HD2 PRO A 13 -10.698 -5.361 9.039 1.00 62.41 H new ATOM 0 HD3 PRO A 13 -11.918 -4.706 7.966 1.00 62.41 H new ATOM 168 N LEU A 14 -7.095 -2.523 6.485 1.00 1.40 N ATOM 169 CA LEU A 14 -5.664 -2.376 6.736 1.00 63.32 C ATOM 170 C LEU A 14 -5.182 -0.985 6.338 1.00 4.22 C ATOM 171 O LEU A 14 -5.632 -0.423 5.340 1.00 33.42 O ATOM 172 CB LEU A 14 -4.880 -3.440 5.968 1.00 44.21 C ATOM 173 CG LEU A 14 -3.396 -3.562 6.316 1.00 45.15 C ATOM 174 CD1 LEU A 14 -3.222 -4.014 7.757 1.00 52.41 C ATOM 175 CD2 LEU A 14 -2.702 -4.526 5.364 1.00 4.02 C ATOM 0 H LEU A 14 -7.430 -2.034 5.655 1.00 1.40 H new ATOM 0 HA LEU A 14 -5.492 -2.508 7.804 1.00 63.32 H new ATOM 0 HB2 LEU A 14 -5.354 -4.407 6.140 1.00 44.21 H new ATOM 0 HB3 LEU A 14 -4.967 -3.228 4.902 1.00 44.21 H new ATOM 0 HG LEU A 14 -2.934 -2.581 6.207 1.00 45.15 H new ATOM 0 HD11 LEU A 14 -2.160 -4.095 7.987 1.00 52.41 H new ATOM 0 HD12 LEU A 14 -3.683 -3.286 8.425 1.00 52.41 H new ATOM 0 HD13 LEU A 14 -3.698 -4.985 7.894 1.00 52.41 H new ATOM 0 HD21 LEU A 14 -1.647 -4.600 5.627 1.00 4.02 H new ATOM 0 HD22 LEU A 14 -3.165 -5.510 5.441 1.00 4.02 H new ATOM 0 HD23 LEU A 14 -2.796 -4.159 4.342 1.00 4.02 H new ATOM 186 N VAL A 15 -4.262 -0.436 7.125 1.00 73.23 N ATOM 187 CA VAL A 15 -3.715 0.886 6.853 1.00 35.45 C ATOM 188 C VAL A 15 -2.200 0.835 6.696 1.00 43.23 C ATOM 189 O VAL A 15 -1.527 0.013 7.321 1.00 4.00 O ATOM 190 CB VAL A 15 -4.068 1.883 7.974 1.00 25.23 C ATOM 191 CG1 VAL A 15 -3.599 3.284 7.613 1.00 44.24 C ATOM 192 CG2 VAL A 15 -5.565 1.866 8.248 1.00 72.51 C ATOM 0 H VAL A 15 -3.880 -0.887 7.956 1.00 73.23 H new ATOM 0 HA VAL A 15 -4.163 1.225 5.919 1.00 35.45 H new ATOM 0 HB VAL A 15 -3.551 1.578 8.884 1.00 25.23 H new ATOM 0 HG11 VAL A 15 -3.858 3.973 8.417 1.00 44.24 H new ATOM 0 HG12 VAL A 15 -2.518 3.281 7.472 1.00 44.24 H new ATOM 0 HG13 VAL A 15 -4.085 3.604 6.691 1.00 44.24 H new ATOM 0 HG21 VAL A 15 -5.798 2.575 9.042 1.00 72.51 H new ATOM 0 HG22 VAL A 15 -6.104 2.145 7.343 1.00 72.51 H new ATOM 0 HG23 VAL A 15 -5.867 0.865 8.556 1.00 72.51 H new ATOM 202 N LEU A 16 -1.666 1.715 5.857 1.00 54.11 N ATOM 203 CA LEU A 16 -0.227 1.770 5.617 1.00 25.42 C ATOM 204 C LEU A 16 0.286 3.203 5.722 1.00 53.42 C ATOM 205 O LEU A 16 -0.422 4.154 5.395 1.00 23.25 O ATOM 206 CB LEU A 16 0.101 1.196 4.237 1.00 34.15 C ATOM 207 CG LEU A 16 -0.061 -0.315 4.084 1.00 43.34 C ATOM 208 CD1 LEU A 16 0.317 -0.752 2.678 1.00 61.51 C ATOM 209 CD2 LEU A 16 0.782 -1.050 5.116 1.00 5.34 C ATOM 0 H LEU A 16 -2.207 2.401 5.331 1.00 54.11 H new ATOM 0 HA LEU A 16 0.269 1.170 6.380 1.00 25.42 H new ATOM 0 HB2 LEU A 16 -0.536 1.686 3.501 1.00 34.15 H new ATOM 0 HB3 LEU A 16 1.130 1.458 3.992 1.00 34.15 H new ATOM 0 HG LEU A 16 -1.108 -0.567 4.253 1.00 43.34 H new ATOM 0 HD11 LEU A 16 0.195 -1.831 2.587 1.00 61.51 H new ATOM 0 HD12 LEU A 16 -0.329 -0.252 1.956 1.00 61.51 H new ATOM 0 HD13 LEU A 16 1.356 -0.486 2.481 1.00 61.51 H new ATOM 0 HD21 LEU A 16 0.654 -2.125 4.992 1.00 5.34 H new ATOM 0 HD22 LEU A 16 1.832 -0.792 4.979 1.00 5.34 H new ATOM 0 HD23 LEU A 16 0.465 -0.760 6.118 1.00 5.34 H new ATOM 220 N LYS A 17 1.528 3.347 6.175 1.00 32.42 N ATOM 221 CA LYS A 17 2.142 4.663 6.319 1.00 22.32 C ATOM 222 C LYS A 17 3.299 4.833 5.340 1.00 71.43 C ATOM 223 O LYS A 17 3.936 3.859 4.940 1.00 4.22 O ATOM 224 CB LYS A 17 2.637 4.862 7.753 1.00 51.14 C ATOM 225 CG LYS A 17 3.229 6.238 8.005 1.00 2.54 C ATOM 226 CD LYS A 17 3.219 6.586 9.484 1.00 35.43 C ATOM 227 CE LYS A 17 1.854 7.091 9.929 1.00 43.43 C ATOM 228 NZ LYS A 17 1.812 7.362 11.392 1.00 41.01 N ATOM 0 H LYS A 17 2.129 2.569 6.448 1.00 32.42 H new ATOM 0 HA LYS A 17 1.387 5.417 6.095 1.00 22.32 H new ATOM 0 HB2 LYS A 17 1.807 4.701 8.441 1.00 51.14 H new ATOM 0 HB3 LYS A 17 3.389 4.105 7.978 1.00 51.14 H new ATOM 0 HG2 LYS A 17 4.252 6.270 7.630 1.00 2.54 H new ATOM 0 HG3 LYS A 17 2.663 6.986 7.450 1.00 2.54 H new ATOM 0 HD2 LYS A 17 3.491 5.706 10.068 1.00 35.43 H new ATOM 0 HD3 LYS A 17 3.973 7.347 9.685 1.00 35.43 H new ATOM 0 HE2 LYS A 17 1.609 8.002 9.384 1.00 43.43 H new ATOM 0 HE3 LYS A 17 1.093 6.353 9.675 1.00 43.43 H new ATOM 0 HZ1 LYS A 17 0.866 7.704 11.655 1.00 41.01 H new ATOM 0 HZ2 LYS A 17 2.021 6.487 11.913 1.00 41.01 H new ATOM 0 HZ3 LYS A 17 2.520 8.085 11.632 1.00 41.01 H new ATOM 238 N CYS A 18 3.567 6.078 4.959 1.00 30.41 N ATOM 239 CA CYS A 18 4.648 6.376 4.028 1.00 33.23 C ATOM 240 C CYS A 18 5.824 7.030 4.751 1.00 63.11 C ATOM 241 O CYS A 18 5.787 8.219 5.068 1.00 52.44 O ATOM 242 CB CYS A 18 4.147 7.295 2.912 1.00 42.44 C ATOM 243 SG CYS A 18 5.237 7.351 1.453 1.00 41.33 S ATOM 0 H CYS A 18 3.050 6.896 5.281 1.00 30.41 H new ATOM 0 HA CYS A 18 4.989 5.437 3.592 1.00 33.23 H new ATOM 0 HB2 CYS A 18 3.156 6.964 2.600 1.00 42.44 H new ATOM 0 HB3 CYS A 18 4.036 8.304 3.309 1.00 42.44 H new ATOM 247 N LYS A 19 6.862 6.244 5.009 1.00 13.43 N ATOM 248 CA LYS A 19 8.050 6.744 5.692 1.00 61.40 C ATOM 249 C LYS A 19 8.669 7.906 4.926 1.00 33.03 C ATOM 250 O LYS A 19 9.012 7.777 3.752 1.00 50.14 O ATOM 251 CB LYS A 19 9.078 5.622 5.858 1.00 74.11 C ATOM 252 CG LYS A 19 8.481 4.318 6.360 1.00 32.55 C ATOM 253 CD LYS A 19 7.756 4.511 7.681 1.00 64.31 C ATOM 254 CE LYS A 19 8.731 4.746 8.825 1.00 14.41 C ATOM 255 NZ LYS A 19 8.043 4.773 10.144 1.00 43.10 N ATOM 0 H LYS A 19 6.906 5.257 4.756 1.00 13.43 H new ATOM 0 HA LYS A 19 7.749 7.101 6.677 1.00 61.40 H new ATOM 0 HB2 LYS A 19 9.566 5.443 4.900 1.00 74.11 H new ATOM 0 HB3 LYS A 19 9.851 5.949 6.553 1.00 74.11 H new ATOM 0 HG2 LYS A 19 7.787 3.924 5.617 1.00 32.55 H new ATOM 0 HG3 LYS A 19 9.272 3.578 6.482 1.00 32.55 H new ATOM 0 HD2 LYS A 19 7.075 5.358 7.603 1.00 64.31 H new ATOM 0 HD3 LYS A 19 7.148 3.632 7.895 1.00 64.31 H new ATOM 0 HE2 LYS A 19 9.486 3.960 8.826 1.00 14.41 H new ATOM 0 HE3 LYS A 19 9.253 5.690 8.669 1.00 14.41 H new ATOM 0 HZ1 LYS A 19 8.742 4.935 10.897 1.00 43.10 H new ATOM 0 HZ2 LYS A 19 7.340 5.539 10.153 1.00 43.10 H new ATOM 0 HZ3 LYS A 19 7.566 3.863 10.305 1.00 43.10 H new ATOM 265 N GLY A 20 8.811 9.045 5.599 1.00 44.40 N ATOM 266 CA GLY A 20 9.391 10.214 4.965 1.00 13.12 C ATOM 267 C GLY A 20 8.484 11.425 5.042 1.00 34.02 C ATOM 268 O GLY A 20 8.952 12.549 5.228 1.00 51.04 O ATOM 0 H GLY A 20 8.534 9.178 6.572 1.00 44.40 H new ATOM 0 HA2 GLY A 20 10.344 10.447 5.441 1.00 13.12 H new ATOM 0 HA3 GLY A 20 9.603 9.989 3.920 1.00 13.12 H new ATOM 272 N ALA A 21 7.183 11.199 4.900 1.00 51.24 N ATOM 273 CA ALA A 21 6.208 12.280 4.955 1.00 73.54 C ATOM 274 C ALA A 21 5.688 12.479 6.375 1.00 34.44 C ATOM 275 O ALA A 21 5.249 11.539 7.038 1.00 54.51 O ATOM 276 CB ALA A 21 5.055 12.001 4.002 1.00 20.23 C ATOM 0 H ALA A 21 6.779 10.275 4.746 1.00 51.24 H new ATOM 0 HA ALA A 21 6.705 13.200 4.646 1.00 73.54 H new ATOM 0 HB1 ALA A 21 4.334 12.817 4.054 1.00 20.23 H new ATOM 0 HB2 ALA A 21 5.436 11.918 2.984 1.00 20.23 H new ATOM 0 HB3 ALA A 21 4.567 11.068 4.284 1.00 20.23 H new ATOM 282 N PRO A 22 5.737 13.731 6.854 1.00 72.31 N ATOM 283 CA PRO A 22 5.276 14.081 8.199 1.00 23.53 C ATOM 284 C PRO A 22 3.759 13.984 8.336 1.00 53.23 C ATOM 285 O PRO A 22 3.088 13.379 7.500 1.00 14.43 O ATOM 286 CB PRO A 22 5.735 15.533 8.367 1.00 62.42 C ATOM 287 CG PRO A 22 5.827 16.062 6.977 1.00 65.23 C ATOM 288 CD PRO A 22 6.245 14.900 6.119 1.00 53.42 C ATOM 0 HA PRO A 22 5.675 13.404 8.954 1.00 23.53 H new ATOM 0 HB2 PRO A 22 5.025 16.107 8.963 1.00 62.42 H new ATOM 0 HB3 PRO A 22 6.697 15.588 8.877 1.00 62.42 H new ATOM 0 HG2 PRO A 22 4.869 16.465 6.649 1.00 65.23 H new ATOM 0 HG3 PRO A 22 6.552 16.873 6.915 1.00 65.23 H new ATOM 0 HD2 PRO A 22 5.815 14.964 5.119 1.00 53.42 H new ATOM 0 HD3 PRO A 22 7.328 14.859 5.998 1.00 53.42 H new ATOM 293 N LYS A 23 3.225 14.582 9.396 1.00 14.25 N ATOM 294 CA LYS A 23 1.789 14.564 9.642 1.00 31.44 C ATOM 295 C LYS A 23 1.017 14.971 8.390 1.00 40.31 C ATOM 296 O LYS A 23 0.070 14.297 7.985 1.00 10.52 O ATOM 297 CB LYS A 23 1.437 15.503 10.798 1.00 32.52 C ATOM 298 CG LYS A 23 1.463 14.829 12.159 1.00 3.43 C ATOM 299 CD LYS A 23 2.804 15.012 12.847 1.00 14.24 C ATOM 300 CE LYS A 23 2.956 16.419 13.405 1.00 3.04 C ATOM 301 NZ LYS A 23 4.369 16.723 13.767 1.00 52.24 N ATOM 0 H LYS A 23 3.767 15.085 10.099 1.00 14.25 H new ATOM 0 HA LYS A 23 1.504 13.546 9.909 1.00 31.44 H new ATOM 0 HB2 LYS A 23 2.137 16.339 10.802 1.00 32.52 H new ATOM 0 HB3 LYS A 23 0.444 15.920 10.627 1.00 32.52 H new ATOM 0 HG2 LYS A 23 0.672 15.242 12.786 1.00 3.43 H new ATOM 0 HG3 LYS A 23 1.255 13.765 12.043 1.00 3.43 H new ATOM 0 HD2 LYS A 23 2.902 14.286 13.655 1.00 14.24 H new ATOM 0 HD3 LYS A 23 3.608 14.811 12.139 1.00 14.24 H new ATOM 0 HE2 LYS A 23 2.607 17.142 12.668 1.00 3.04 H new ATOM 0 HE3 LYS A 23 2.323 16.531 14.286 1.00 3.04 H new ATOM 0 HZ1 LYS A 23 4.431 17.691 14.143 1.00 52.24 H new ATOM 0 HZ2 LYS A 23 4.695 16.049 14.489 1.00 52.24 H new ATOM 0 HZ3 LYS A 23 4.969 16.642 12.922 1.00 52.24 H new ATOM 311 N LYS A 24 1.429 16.078 7.780 1.00 25.04 N ATOM 312 CA LYS A 24 0.778 16.574 6.573 1.00 2.42 C ATOM 313 C LYS A 24 1.656 16.341 5.348 1.00 1.53 C ATOM 314 O LYS A 24 2.882 16.244 5.442 1.00 62.53 O ATOM 315 CB LYS A 24 0.466 18.065 6.714 1.00 72.21 C ATOM 316 CG LYS A 24 1.609 18.970 6.289 1.00 63.02 C ATOM 317 CD LYS A 24 2.827 18.784 7.179 1.00 31.14 C ATOM 318 CE LYS A 24 3.633 20.071 7.296 1.00 25.35 C ATOM 319 NZ LYS A 24 2.911 21.106 8.085 1.00 21.10 N ATOM 0 H LYS A 24 2.211 16.648 8.102 1.00 25.04 H new ATOM 0 HA LYS A 24 -0.154 16.025 6.440 1.00 2.42 H new ATOM 0 HB2 LYS A 24 -0.414 18.301 6.116 1.00 72.21 H new ATOM 0 HB3 LYS A 24 0.213 18.278 7.753 1.00 72.21 H new ATOM 0 HG2 LYS A 24 1.877 18.757 5.254 1.00 63.02 H new ATOM 0 HG3 LYS A 24 1.285 20.010 6.327 1.00 63.02 H new ATOM 0 HD2 LYS A 24 2.509 18.461 8.170 1.00 31.14 H new ATOM 0 HD3 LYS A 24 3.458 17.993 6.773 1.00 31.14 H new ATOM 0 HE2 LYS A 24 4.592 19.858 7.768 1.00 25.35 H new ATOM 0 HE3 LYS A 24 3.847 20.457 6.300 1.00 25.35 H new ATOM 0 HZ1 LYS A 24 3.595 21.786 8.473 1.00 21.10 H new ATOM 0 HZ2 LYS A 24 2.238 21.605 7.469 1.00 21.10 H new ATOM 0 HZ3 LYS A 24 2.395 20.651 8.865 1.00 21.10 H new ATOM 366 N ARG A 28 5.169 16.698 -3.518 1.00 74.30 N ATOM 367 CA ARG A 28 4.545 15.655 -4.322 1.00 52.24 C ATOM 368 C ARG A 28 5.173 14.294 -4.032 1.00 32.22 C ATOM 369 O ARG A 28 6.393 14.177 -3.904 1.00 20.13 O ATOM 370 CB ARG A 28 4.678 15.981 -5.812 1.00 21.10 C ATOM 371 CG ARG A 28 3.704 15.217 -6.692 1.00 73.43 C ATOM 372 CD ARG A 28 3.889 15.564 -8.160 1.00 72.55 C ATOM 373 NE ARG A 28 3.222 16.816 -8.516 1.00 21.22 N ATOM 374 CZ ARG A 28 3.329 17.393 -9.707 1.00 52.23 C ATOM 375 NH1 ARG A 28 4.070 16.834 -10.654 1.00 42.32 N ATOM 376 NH2 ARG A 28 2.692 18.530 -9.955 1.00 1.15 N ATOM 0 HA ARG A 28 3.488 15.613 -4.058 1.00 52.24 H new ATOM 0 HB2 ARG A 28 4.523 17.050 -5.956 1.00 21.10 H new ATOM 0 HB3 ARG A 28 5.696 15.760 -6.134 1.00 21.10 H new ATOM 0 HG2 ARG A 28 3.847 14.146 -6.550 1.00 73.43 H new ATOM 0 HG3 ARG A 28 2.682 15.446 -6.389 1.00 73.43 H new ATOM 0 HD2 ARG A 28 4.953 15.644 -8.382 1.00 72.55 H new ATOM 0 HD3 ARG A 28 3.495 14.756 -8.776 1.00 72.55 H new ATOM 0 HE ARG A 28 2.643 17.271 -7.810 1.00 21.22 H new ATOM 0 HH11 ARG A 28 4.559 15.959 -10.468 1.00 42.32 H new ATOM 0 HH12 ARG A 28 4.150 17.279 -11.568 1.00 42.32 H new ATOM 0 HH21 ARG A 28 2.119 18.962 -9.230 1.00 1.15 H new ATOM 0 HH22 ARG A 28 2.775 18.972 -10.870 1.00 1.15 H new ATOM 387 N LEU A 29 4.333 13.271 -3.927 1.00 33.31 N ATOM 388 CA LEU A 29 4.805 11.919 -3.650 1.00 74.41 C ATOM 389 C LEU A 29 4.101 10.903 -4.544 1.00 63.22 C ATOM 390 O LEU A 29 3.013 11.162 -5.056 1.00 51.42 O ATOM 391 CB LEU A 29 4.574 11.568 -2.179 1.00 11.34 C ATOM 392 CG LEU A 29 3.178 11.867 -1.629 1.00 31.21 C ATOM 393 CD1 LEU A 29 2.178 10.833 -2.122 1.00 3.52 C ATOM 394 CD2 LEU A 29 3.202 11.908 -0.108 1.00 61.04 C ATOM 0 H LEU A 29 3.321 13.352 -4.029 1.00 33.31 H new ATOM 0 HA LEU A 29 5.874 11.883 -3.862 1.00 74.41 H new ATOM 0 HB2 LEU A 29 4.776 10.506 -2.044 1.00 11.34 H new ATOM 0 HB3 LEU A 29 5.304 12.111 -1.578 1.00 11.34 H new ATOM 0 HG LEU A 29 2.866 12.846 -1.993 1.00 31.21 H new ATOM 0 HD11 LEU A 29 1.191 11.062 -1.721 1.00 3.52 H new ATOM 0 HD12 LEU A 29 2.141 10.853 -3.211 1.00 3.52 H new ATOM 0 HD13 LEU A 29 2.485 9.842 -1.788 1.00 3.52 H new ATOM 0 HD21 LEU A 29 2.201 12.122 0.266 1.00 61.04 H new ATOM 0 HD22 LEU A 29 3.535 10.944 0.277 1.00 61.04 H new ATOM 0 HD23 LEU A 29 3.888 12.688 0.224 1.00 61.04 H new ATOM 405 N GLU A 30 4.731 9.746 -4.723 1.00 40.12 N ATOM 406 CA GLU A 30 4.164 8.690 -5.555 1.00 64.12 C ATOM 407 C GLU A 30 4.012 7.396 -4.761 1.00 61.42 C ATOM 408 O GLU A 30 4.812 7.102 -3.873 1.00 5.53 O ATOM 409 CB GLU A 30 5.043 8.448 -6.783 1.00 11.14 C ATOM 410 CG GLU A 30 4.464 7.438 -7.758 1.00 73.31 C ATOM 411 CD GLU A 30 5.076 7.544 -9.141 1.00 41.12 C ATOM 412 OE1 GLU A 30 5.861 8.487 -9.371 1.00 33.23 O ATOM 413 OE2 GLU A 30 4.771 6.683 -9.993 1.00 74.41 O ATOM 0 H GLU A 30 5.632 9.516 -4.304 1.00 40.12 H new ATOM 0 HA GLU A 30 3.176 9.013 -5.884 1.00 64.12 H new ATOM 0 HB2 GLU A 30 5.196 9.394 -7.302 1.00 11.14 H new ATOM 0 HB3 GLU A 30 6.023 8.102 -6.455 1.00 11.14 H new ATOM 0 HG2 GLU A 30 4.624 6.432 -7.370 1.00 73.31 H new ATOM 0 HG3 GLU A 30 3.386 7.585 -7.830 1.00 73.31 H new ATOM 418 N TRP A 31 2.980 6.626 -5.088 1.00 53.44 N ATOM 419 CA TRP A 31 2.722 5.363 -4.407 1.00 11.43 C ATOM 420 C TRP A 31 2.584 4.221 -5.408 1.00 72.34 C ATOM 421 O TRP A 31 2.064 4.408 -6.510 1.00 34.13 O ATOM 422 CB TRP A 31 1.457 5.467 -3.554 1.00 21.41 C ATOM 423 CG TRP A 31 1.736 5.696 -2.101 1.00 21.01 C ATOM 424 CD1 TRP A 31 2.231 6.834 -1.530 1.00 42.41 C ATOM 425 CD2 TRP A 31 1.539 4.763 -1.033 1.00 33.11 C ATOM 426 NE1 TRP A 31 2.353 6.664 -0.171 1.00 73.04 N ATOM 427 CE2 TRP A 31 1.935 5.402 0.158 1.00 22.33 C ATOM 428 CE3 TRP A 31 1.066 3.449 -0.967 1.00 30.02 C ATOM 429 CZ2 TRP A 31 1.871 4.771 1.398 1.00 53.22 C ATOM 430 CZ3 TRP A 31 1.003 2.826 0.265 1.00 44.24 C ATOM 431 CH2 TRP A 31 1.404 3.486 1.432 1.00 2.35 C ATOM 0 H TRP A 31 2.308 6.855 -5.821 1.00 53.44 H new ATOM 0 HA TRP A 31 3.572 5.150 -3.758 1.00 11.43 H new ATOM 0 HB2 TRP A 31 0.840 6.283 -3.931 1.00 21.41 H new ATOM 0 HB3 TRP A 31 0.877 4.551 -3.665 1.00 21.41 H new ATOM 0 HD1 TRP A 31 2.489 7.735 -2.067 1.00 42.41 H new ATOM 0 HE1 TRP A 31 2.699 7.364 0.485 1.00 73.04 H new ATOM 0 HE3 TRP A 31 0.756 2.930 -1.862 1.00 30.02 H new ATOM 0 HZ2 TRP A 31 2.179 5.278 2.300 1.00 53.22 H new ATOM 0 HZ3 TRP A 31 0.638 1.812 0.328 1.00 44.24 H new ATOM 0 HH2 TRP A 31 1.343 2.970 2.379 1.00 2.35 H new ATOM 441 N LYS A 32 3.048 3.039 -5.020 1.00 55.32 N ATOM 442 CA LYS A 32 2.974 1.867 -5.884 1.00 23.03 C ATOM 443 C LYS A 32 2.899 0.587 -5.057 1.00 71.01 C ATOM 444 O LYS A 32 3.615 0.431 -4.067 1.00 0.20 O ATOM 445 CB LYS A 32 4.189 1.815 -6.813 1.00 72.15 C ATOM 446 CG LYS A 32 4.292 3.008 -7.747 1.00 52.23 C ATOM 447 CD LYS A 32 5.525 2.921 -8.630 1.00 73.13 C ATOM 448 CE LYS A 32 5.385 1.826 -9.676 1.00 42.32 C ATOM 449 NZ LYS A 32 6.419 1.942 -10.742 1.00 13.33 N ATOM 0 H LYS A 32 3.480 2.867 -4.112 1.00 55.32 H new ATOM 0 HA LYS A 32 2.068 1.946 -6.485 1.00 23.03 H new ATOM 0 HB2 LYS A 32 5.095 1.757 -6.210 1.00 72.15 H new ATOM 0 HB3 LYS A 32 4.143 0.902 -7.407 1.00 72.15 H new ATOM 0 HG2 LYS A 32 3.400 3.061 -8.371 1.00 52.23 H new ATOM 0 HG3 LYS A 32 4.327 3.927 -7.162 1.00 52.23 H new ATOM 0 HD2 LYS A 32 5.688 3.879 -9.124 1.00 73.13 H new ATOM 0 HD3 LYS A 32 6.403 2.727 -8.013 1.00 73.13 H new ATOM 0 HE2 LYS A 32 5.467 0.851 -9.195 1.00 42.32 H new ATOM 0 HE3 LYS A 32 4.393 1.877 -10.125 1.00 42.32 H new ATOM 0 HZ1 LYS A 32 6.028 1.602 -11.644 1.00 13.33 H new ATOM 0 HZ2 LYS A 32 6.705 2.937 -10.842 1.00 13.33 H new ATOM 0 HZ3 LYS A 32 7.247 1.368 -10.486 1.00 13.33 H new ATOM 459 N LEU A 33 2.028 -0.329 -5.472 1.00 15.34 N ATOM 460 CA LEU A 33 1.860 -1.597 -4.771 1.00 4.14 C ATOM 461 C LEU A 33 1.661 -2.743 -5.757 1.00 75.23 C ATOM 462 O LEU A 33 0.942 -2.606 -6.745 1.00 1.25 O ATOM 463 CB LEU A 33 0.669 -1.520 -3.813 1.00 71.34 C ATOM 464 CG LEU A 33 -0.692 -1.883 -4.409 1.00 22.24 C ATOM 465 CD1 LEU A 33 -0.933 -3.382 -4.314 1.00 14.12 C ATOM 466 CD2 LEU A 33 -1.803 -1.117 -3.703 1.00 25.43 C ATOM 0 H LEU A 33 1.429 -0.216 -6.290 1.00 15.34 H new ATOM 0 HA LEU A 33 2.767 -1.789 -4.198 1.00 4.14 H new ATOM 0 HB2 LEU A 33 0.863 -2.182 -2.969 1.00 71.34 H new ATOM 0 HB3 LEU A 33 0.612 -0.506 -3.416 1.00 71.34 H new ATOM 0 HG LEU A 33 -0.694 -1.601 -5.462 1.00 22.24 H new ATOM 0 HD11 LEU A 33 -1.906 -3.622 -4.743 1.00 14.12 H new ATOM 0 HD12 LEU A 33 -0.154 -3.911 -4.863 1.00 14.12 H new ATOM 0 HD13 LEU A 33 -0.912 -3.688 -3.268 1.00 14.12 H new ATOM 0 HD21 LEU A 33 -2.765 -1.387 -4.139 1.00 25.43 H new ATOM 0 HD22 LEU A 33 -1.802 -1.369 -2.643 1.00 25.43 H new ATOM 0 HD23 LEU A 33 -1.639 -0.046 -3.821 1.00 25.43 H new ATOM 477 N ASN A 34 2.304 -3.873 -5.480 1.00 65.24 N ATOM 478 CA ASN A 34 2.197 -5.043 -6.344 1.00 64.20 C ATOM 479 C ASN A 34 1.483 -6.185 -5.625 1.00 61.40 C ATOM 480 O ASN A 34 1.862 -6.571 -4.518 1.00 35.31 O ATOM 481 CB ASN A 34 3.585 -5.499 -6.795 1.00 44.44 C ATOM 482 CG ASN A 34 3.589 -6.929 -7.303 1.00 31.35 C ATOM 483 OD1 ASN A 34 2.597 -7.268 -8.119 1.00 54.30 O flip ATOM 484 ND2 ASN A 34 4.470 -7.717 -6.965 1.00 40.12 N flip ATOM 0 H ASN A 34 2.904 -4.003 -4.665 1.00 65.24 H new ATOM 0 HA ASN A 34 1.611 -4.765 -7.220 1.00 64.20 H new ATOM 0 HB2 ASN A 34 3.944 -4.836 -7.582 1.00 44.44 H new ATOM 0 HB3 ASN A 34 4.282 -5.411 -5.961 1.00 44.44 H new ATOM 0 HD21 ASN A 34 5.213 -7.412 -6.336 1.00 40.12 H new ATOM 0 HD22 ASN A 34 4.458 -8.675 -7.314 1.00 40.12 H new ATOM 490 N THR A 35 0.447 -6.723 -6.263 1.00 32.41 N ATOM 491 CA THR A 35 -0.320 -7.819 -5.685 1.00 2.22 C ATOM 492 C THR A 35 -0.704 -8.841 -6.748 1.00 50.11 C ATOM 493 O THR A 35 -0.359 -8.692 -7.920 1.00 20.32 O ATOM 494 CB THR A 35 -1.599 -7.308 -4.995 1.00 71.12 C ATOM 495 OG1 THR A 35 -2.372 -6.526 -5.913 1.00 40.40 O ATOM 496 CG2 THR A 35 -1.257 -6.472 -3.773 1.00 11.34 C ATOM 0 H THR A 35 0.121 -6.417 -7.180 1.00 32.41 H new ATOM 0 HA THR A 35 0.320 -8.294 -4.941 1.00 2.22 H new ATOM 0 HB THR A 35 -2.181 -8.171 -4.673 1.00 71.12 H new ATOM 0 HG1 THR A 35 -3.184 -6.206 -5.467 1.00 40.40 H new ATOM 0 HG21 THR A 35 -2.176 -6.122 -3.303 1.00 11.34 H new ATOM 0 HG22 THR A 35 -0.694 -7.078 -3.063 1.00 11.34 H new ATOM 0 HG23 THR A 35 -0.655 -5.615 -4.075 1.00 11.34 H new ATOM 504 N GLY A 36 -1.420 -9.880 -6.332 1.00 42.44 N ATOM 505 CA GLY A 36 -1.839 -10.913 -7.263 1.00 70.33 C ATOM 506 C GLY A 36 -0.727 -11.891 -7.584 1.00 72.15 C ATOM 507 O GLY A 36 -0.195 -12.553 -6.692 1.00 33.31 O ATOM 0 H GLY A 36 -1.718 -10.026 -5.367 1.00 42.44 H new ATOM 0 HA2 GLY A 36 -2.685 -11.456 -6.842 1.00 70.33 H new ATOM 0 HA3 GLY A 36 -2.186 -10.447 -8.185 1.00 70.33 H new ATOM 511 N ARG A 37 -0.374 -11.984 -8.862 1.00 60.43 N ATOM 512 CA ARG A 37 0.681 -12.891 -9.299 1.00 33.32 C ATOM 513 C ARG A 37 1.873 -12.113 -9.850 1.00 21.22 C ATOM 514 O ARG A 37 3.026 -12.469 -9.608 1.00 40.32 O ATOM 515 CB ARG A 37 0.149 -13.850 -10.365 1.00 41.02 C ATOM 516 CG ARG A 37 -1.022 -14.697 -9.892 1.00 14.22 C ATOM 517 CD ARG A 37 -0.584 -15.737 -8.873 1.00 54.15 C ATOM 518 NE ARG A 37 0.258 -16.769 -9.473 1.00 12.42 N ATOM 519 CZ ARG A 37 0.954 -17.652 -8.766 1.00 74.31 C ATOM 520 NH1 ARG A 37 0.909 -17.629 -7.441 1.00 50.02 N ATOM 521 NH2 ARG A 37 1.697 -18.562 -9.384 1.00 14.10 N ATOM 0 H ARG A 37 -0.803 -11.443 -9.613 1.00 60.43 H new ATOM 0 HA ARG A 37 1.012 -13.466 -8.434 1.00 33.32 H new ATOM 0 HB2 ARG A 37 -0.159 -13.275 -11.238 1.00 41.02 H new ATOM 0 HB3 ARG A 37 0.957 -14.508 -10.685 1.00 41.02 H new ATOM 0 HG2 ARG A 37 -1.783 -14.053 -9.452 1.00 14.22 H new ATOM 0 HG3 ARG A 37 -1.481 -15.194 -10.746 1.00 14.22 H new ATOM 0 HD2 ARG A 37 -0.038 -15.247 -8.067 1.00 54.15 H new ATOM 0 HD3 ARG A 37 -1.464 -16.201 -8.427 1.00 54.15 H new ATOM 0 HE ARG A 37 0.314 -16.814 -10.490 1.00 12.42 H new ATOM 0 HH11 ARG A 37 0.339 -16.932 -6.962 1.00 50.02 H new ATOM 0 HH12 ARG A 37 1.445 -18.308 -6.901 1.00 50.02 H new ATOM 0 HH21 ARG A 37 1.734 -18.584 -10.403 1.00 14.10 H new ATOM 0 HH22 ARG A 37 2.231 -19.240 -8.840 1.00 14.10 H new ATOM 532 N THR A 38 1.586 -11.047 -10.591 1.00 72.42 N ATOM 533 CA THR A 38 2.633 -10.220 -11.177 1.00 65.33 C ATOM 534 C THR A 38 2.044 -9.161 -12.102 1.00 61.42 C ATOM 535 O THR A 38 2.611 -8.082 -12.265 1.00 34.13 O ATOM 536 CB THR A 38 3.644 -11.071 -11.969 1.00 75.33 C ATOM 537 OG1 THR A 38 3.064 -12.335 -12.305 1.00 43.13 O ATOM 538 CG2 THR A 38 4.915 -11.290 -11.163 1.00 11.32 C ATOM 0 H THR A 38 0.637 -10.736 -10.799 1.00 72.42 H new ATOM 0 HA THR A 38 3.149 -9.731 -10.351 1.00 65.33 H new ATOM 0 HB THR A 38 3.899 -10.534 -12.883 1.00 75.33 H new ATOM 0 HG1 THR A 38 3.713 -12.869 -12.810 1.00 43.13 H new ATOM 0 HG21 THR A 38 5.614 -11.893 -11.742 1.00 11.32 H new ATOM 0 HG22 THR A 38 5.371 -10.327 -10.934 1.00 11.32 H new ATOM 0 HG23 THR A 38 4.673 -11.807 -10.235 1.00 11.32 H new ATOM 546 N GLU A 39 0.903 -9.478 -12.706 1.00 23.54 N ATOM 547 CA GLU A 39 0.237 -8.551 -13.615 1.00 4.02 C ATOM 548 C GLU A 39 -0.917 -7.839 -12.916 1.00 31.54 C ATOM 549 O GLU A 39 -1.934 -7.525 -13.536 1.00 64.11 O ATOM 550 CB GLU A 39 -0.281 -9.296 -14.848 1.00 11.40 C ATOM 551 CG GLU A 39 0.796 -10.076 -15.583 1.00 71.43 C ATOM 552 CD GLU A 39 0.228 -11.210 -16.415 1.00 62.42 C ATOM 553 OE1 GLU A 39 -0.253 -10.941 -17.535 1.00 33.41 O ATOM 554 OE2 GLU A 39 0.265 -12.366 -15.947 1.00 44.05 O ATOM 0 H GLU A 39 0.421 -10.368 -12.583 1.00 23.54 H new ATOM 0 HA GLU A 39 0.965 -7.804 -13.930 1.00 4.02 H new ATOM 0 HB2 GLU A 39 -1.071 -9.982 -14.543 1.00 11.40 H new ATOM 0 HB3 GLU A 39 -0.730 -8.578 -15.534 1.00 11.40 H new ATOM 0 HG2 GLU A 39 1.353 -9.398 -16.230 1.00 71.43 H new ATOM 0 HG3 GLU A 39 1.505 -10.480 -14.860 1.00 71.43 H new ATOM 559 N ALA A 40 -0.752 -7.586 -11.622 1.00 11.41 N ATOM 560 CA ALA A 40 -1.778 -6.909 -10.839 1.00 34.31 C ATOM 561 C ALA A 40 -1.236 -5.627 -10.214 1.00 63.22 C ATOM 562 O ALA A 40 -1.985 -4.846 -9.627 1.00 43.04 O ATOM 563 CB ALA A 40 -2.318 -7.837 -9.760 1.00 11.01 C ATOM 0 H ALA A 40 0.083 -7.840 -11.094 1.00 11.41 H new ATOM 0 HA ALA A 40 -2.592 -6.639 -11.511 1.00 34.31 H new ATOM 0 HB1 ALA A 40 -3.083 -7.318 -9.183 1.00 11.01 H new ATOM 0 HB2 ALA A 40 -2.752 -8.722 -10.225 1.00 11.01 H new ATOM 0 HB3 ALA A 40 -1.506 -8.137 -9.098 1.00 11.01 H new ATOM 569 N TRP A 41 0.069 -5.420 -10.342 1.00 32.43 N ATOM 570 CA TRP A 41 0.712 -4.233 -9.789 1.00 3.12 C ATOM 571 C TRP A 41 0.178 -2.967 -10.449 1.00 71.44 C ATOM 572 O TRP A 41 0.118 -2.872 -11.675 1.00 44.44 O ATOM 573 CB TRP A 41 2.229 -4.317 -9.969 1.00 62.45 C ATOM 574 CG TRP A 41 2.666 -4.157 -11.394 1.00 3.54 C ATOM 575 CD1 TRP A 41 2.384 -4.992 -12.436 1.00 55.45 C ATOM 576 CD2 TRP A 41 3.467 -3.097 -11.929 1.00 44.13 C ATOM 577 NE1 TRP A 41 2.961 -4.515 -13.588 1.00 54.15 N ATOM 578 CE2 TRP A 41 3.630 -3.354 -13.304 1.00 51.21 C ATOM 579 CE3 TRP A 41 4.059 -1.957 -11.382 1.00 12.14 C ATOM 580 CZ2 TRP A 41 4.362 -2.511 -14.137 1.00 60.03 C ATOM 581 CZ3 TRP A 41 4.786 -1.121 -12.210 1.00 3.13 C ATOM 582 CH2 TRP A 41 4.931 -1.401 -13.575 1.00 3.44 C ATOM 0 H TRP A 41 0.703 -6.058 -10.823 1.00 32.43 H new ATOM 0 HA TRP A 41 0.482 -4.189 -8.724 1.00 3.12 H new ATOM 0 HB2 TRP A 41 2.703 -3.546 -9.362 1.00 62.45 H new ATOM 0 HB3 TRP A 41 2.580 -5.279 -9.594 1.00 62.45 H new ATOM 0 HD1 TRP A 41 1.795 -5.894 -12.365 1.00 55.45 H new ATOM 0 HE1 TRP A 41 2.901 -4.954 -14.506 1.00 54.15 H new ATOM 0 HE3 TRP A 41 3.951 -1.732 -10.331 1.00 12.14 H new ATOM 0 HZ2 TRP A 41 4.476 -2.726 -15.189 1.00 60.03 H new ATOM 0 HZ3 TRP A 41 5.250 -0.237 -11.797 1.00 3.13 H new ATOM 0 HH2 TRP A 41 5.503 -0.727 -14.196 1.00 3.44 H new ATOM 592 N LYS A 42 -0.208 -1.994 -9.631 1.00 40.12 N ATOM 593 CA LYS A 42 -0.735 -0.733 -10.136 1.00 71.02 C ATOM 594 C LYS A 42 -0.131 0.449 -9.384 1.00 25.55 C ATOM 595 O LYS A 42 0.365 0.300 -8.267 1.00 23.42 O ATOM 596 CB LYS A 42 -2.259 -0.705 -10.009 1.00 21.43 C ATOM 597 CG LYS A 42 -2.752 -0.742 -8.573 1.00 13.22 C ATOM 598 CD LYS A 42 -3.129 -2.150 -8.148 1.00 44.34 C ATOM 599 CE LYS A 42 -2.835 -2.387 -6.674 1.00 50.34 C ATOM 600 NZ LYS A 42 -4.041 -2.852 -5.936 1.00 10.43 N ATOM 0 H LYS A 42 -0.165 -2.055 -8.614 1.00 40.12 H new ATOM 0 HA LYS A 42 -0.463 -0.650 -11.188 1.00 71.02 H new ATOM 0 HB2 LYS A 42 -2.639 0.196 -10.491 1.00 21.43 H new ATOM 0 HB3 LYS A 42 -2.676 -1.555 -10.549 1.00 21.43 H new ATOM 0 HG2 LYS A 42 -1.976 -0.357 -7.911 1.00 13.22 H new ATOM 0 HG3 LYS A 42 -3.616 -0.086 -8.467 1.00 13.22 H new ATOM 0 HD2 LYS A 42 -4.189 -2.317 -8.340 1.00 44.34 H new ATOM 0 HD3 LYS A 42 -2.578 -2.872 -8.750 1.00 44.34 H new ATOM 0 HE2 LYS A 42 -2.041 -3.128 -6.577 1.00 50.34 H new ATOM 0 HE3 LYS A 42 -2.467 -1.465 -6.224 1.00 50.34 H new ATOM 0 HZ1 LYS A 42 -3.781 -3.083 -4.956 1.00 10.43 H new ATOM 0 HZ2 LYS A 42 -4.759 -2.100 -5.935 1.00 10.43 H new ATOM 0 HZ3 LYS A 42 -4.427 -3.699 -6.400 1.00 10.43 H new ATOM 610 N VAL A 43 -0.178 1.626 -10.003 1.00 2.42 N ATOM 611 CA VAL A 43 0.363 2.833 -9.390 1.00 62.12 C ATOM 612 C VAL A 43 -0.696 3.549 -8.559 1.00 42.31 C ATOM 613 O VAL A 43 -1.746 3.935 -9.072 1.00 70.33 O ATOM 614 CB VAL A 43 0.909 3.805 -10.453 1.00 24.31 C ATOM 615 CG1 VAL A 43 1.619 4.976 -9.792 1.00 0.32 C ATOM 616 CG2 VAL A 43 1.840 3.078 -11.412 1.00 64.31 C ATOM 0 H VAL A 43 -0.585 1.768 -10.927 1.00 2.42 H new ATOM 0 HA VAL A 43 1.180 2.520 -8.740 1.00 62.12 H new ATOM 0 HB VAL A 43 0.069 4.198 -11.026 1.00 24.31 H new ATOM 0 HG11 VAL A 43 1.998 5.652 -10.559 1.00 0.32 H new ATOM 0 HG12 VAL A 43 0.919 5.511 -9.151 1.00 0.32 H new ATOM 0 HG13 VAL A 43 2.450 4.606 -9.192 1.00 0.32 H new ATOM 0 HG21 VAL A 43 2.216 3.780 -12.156 1.00 64.31 H new ATOM 0 HG22 VAL A 43 2.677 2.655 -10.856 1.00 64.31 H new ATOM 0 HG23 VAL A 43 1.295 2.277 -11.912 1.00 64.31 H new ATOM 626 N LEU A 44 -0.413 3.722 -7.272 1.00 40.35 N ATOM 627 CA LEU A 44 -1.341 4.391 -6.368 1.00 12.11 C ATOM 628 C LEU A 44 -1.083 5.894 -6.339 1.00 31.31 C ATOM 629 O LEU A 44 0.060 6.342 -6.442 1.00 63.43 O ATOM 630 CB LEU A 44 -1.215 3.814 -4.957 1.00 61.10 C ATOM 631 CG LEU A 44 -2.177 2.677 -4.609 1.00 22.21 C ATOM 632 CD1 LEU A 44 -1.954 1.489 -5.531 1.00 4.12 C ATOM 633 CD2 LEU A 44 -2.012 2.266 -3.154 1.00 20.15 C ATOM 0 H LEU A 44 0.452 3.408 -6.832 1.00 40.35 H new ATOM 0 HA LEU A 44 -2.353 4.221 -6.734 1.00 12.11 H new ATOM 0 HB2 LEU A 44 -0.195 3.454 -4.823 1.00 61.10 H new ATOM 0 HB3 LEU A 44 -1.365 4.622 -4.241 1.00 61.10 H new ATOM 0 HG LEU A 44 -3.198 3.033 -4.751 1.00 22.21 H new ATOM 0 HD11 LEU A 44 -2.647 0.690 -5.269 1.00 4.12 H new ATOM 0 HD12 LEU A 44 -2.125 1.793 -6.564 1.00 4.12 H new ATOM 0 HD13 LEU A 44 -0.930 1.131 -5.423 1.00 4.12 H new ATOM 0 HD21 LEU A 44 -2.704 1.456 -2.924 1.00 20.15 H new ATOM 0 HD22 LEU A 44 -0.989 1.928 -2.985 1.00 20.15 H new ATOM 0 HD23 LEU A 44 -2.224 3.119 -2.509 1.00 20.15 H new ATOM 644 N SER A 45 -2.153 6.670 -6.197 1.00 31.35 N ATOM 645 CA SER A 45 -2.043 8.124 -6.156 1.00 65.22 C ATOM 646 C SER A 45 -2.714 8.684 -4.905 1.00 32.35 C ATOM 647 O SER A 45 -3.494 8.009 -4.233 1.00 70.51 O ATOM 648 CB SER A 45 -2.674 8.739 -7.406 1.00 14.25 C ATOM 649 OG SER A 45 -3.479 7.794 -8.090 1.00 5.33 O ATOM 0 H SER A 45 -3.106 6.316 -6.108 1.00 31.35 H new ATOM 0 HA SER A 45 -0.985 8.384 -6.127 1.00 65.22 H new ATOM 0 HB2 SER A 45 -3.279 9.601 -7.125 1.00 14.25 H new ATOM 0 HB3 SER A 45 -1.891 9.103 -8.071 1.00 14.25 H new ATOM 0 HG SER A 45 -3.872 8.213 -8.884 1.00 5.33 H new ATOM 772 N ALA A 56 -9.301 0.857 -2.806 1.00 44.43 N ATOM 773 CA ALA A 56 -8.838 1.507 -1.586 1.00 53.23 C ATOM 774 C ALA A 56 -8.720 3.014 -1.779 1.00 20.20 C ATOM 775 O ALA A 56 -8.833 3.518 -2.897 1.00 64.24 O ATOM 776 CB ALA A 56 -7.501 0.922 -1.153 1.00 1.14 C ATOM 0 HA ALA A 56 -9.574 1.324 -0.803 1.00 53.23 H new ATOM 0 HB1 ALA A 56 -7.166 1.416 -0.241 1.00 1.14 H new ATOM 0 HB2 ALA A 56 -7.614 -0.146 -0.967 1.00 1.14 H new ATOM 0 HB3 ALA A 56 -6.764 1.077 -1.941 1.00 1.14 H new ATOM 782 N ARG A 57 -8.493 3.731 -0.682 1.00 42.31 N ATOM 783 CA ARG A 57 -8.362 5.182 -0.731 1.00 2.10 C ATOM 784 C ARG A 57 -7.069 5.633 -0.060 1.00 74.01 C ATOM 785 O ARG A 57 -6.481 4.902 0.736 1.00 12.32 O ATOM 786 CB ARG A 57 -9.560 5.846 -0.050 1.00 31.43 C ATOM 787 CG ARG A 57 -10.904 5.318 -0.529 1.00 13.13 C ATOM 788 CD ARG A 57 -11.134 5.636 -1.999 1.00 10.25 C ATOM 789 NE ARG A 57 -10.937 7.054 -2.290 1.00 5.44 N ATOM 790 CZ ARG A 57 -11.799 8.003 -1.941 1.00 73.12 C ATOM 791 NH1 ARG A 57 -12.912 7.686 -1.293 1.00 11.44 N ATOM 792 NH2 ARG A 57 -11.549 9.271 -2.242 1.00 20.13 N ATOM 0 H ARG A 57 -8.396 3.330 0.251 1.00 42.31 H new ATOM 0 HA ARG A 57 -8.333 5.485 -1.778 1.00 2.10 H new ATOM 0 HB2 ARG A 57 -9.484 5.697 1.027 1.00 31.43 H new ATOM 0 HB3 ARG A 57 -9.518 6.921 -0.227 1.00 31.43 H new ATOM 0 HG2 ARG A 57 -10.948 4.239 -0.377 1.00 13.13 H new ATOM 0 HG3 ARG A 57 -11.703 5.757 0.069 1.00 13.13 H new ATOM 0 HD2 ARG A 57 -10.453 5.043 -2.609 1.00 10.25 H new ATOM 0 HD3 ARG A 57 -12.147 5.346 -2.278 1.00 10.25 H new ATOM 0 HE ARG A 57 -10.091 7.331 -2.788 1.00 5.44 H new ATOM 0 HH11 ARG A 57 -13.108 6.712 -1.062 1.00 11.44 H new ATOM 0 HH12 ARG A 57 -13.572 8.416 -1.026 1.00 11.44 H new ATOM 0 HH21 ARG A 57 -10.695 9.518 -2.742 1.00 20.13 H new ATOM 0 HH22 ARG A 57 -12.211 9.999 -1.974 1.00 20.13 H new ATOM 803 N VAL A 58 -6.628 6.845 -0.390 1.00 61.34 N ATOM 804 CA VAL A 58 -5.405 7.394 0.179 1.00 12.23 C ATOM 805 C VAL A 58 -5.712 8.517 1.163 1.00 32.44 C ATOM 806 O VAL A 58 -6.479 9.431 0.859 1.00 33.31 O ATOM 807 CB VAL A 58 -4.466 7.932 -0.919 1.00 24.22 C ATOM 808 CG1 VAL A 58 -3.441 8.886 -0.326 1.00 43.20 C ATOM 809 CG2 VAL A 58 -3.781 6.782 -1.644 1.00 25.24 C ATOM 0 H VAL A 58 -7.101 7.464 -1.049 1.00 61.34 H new ATOM 0 HA VAL A 58 -4.908 6.579 0.705 1.00 12.23 H new ATOM 0 HB VAL A 58 -5.063 8.485 -1.644 1.00 24.22 H new ATOM 0 HG11 VAL A 58 -2.787 9.255 -1.116 1.00 43.20 H new ATOM 0 HG12 VAL A 58 -3.954 9.726 0.142 1.00 43.20 H new ATOM 0 HG13 VAL A 58 -2.846 8.362 0.422 1.00 43.20 H new ATOM 0 HG21 VAL A 58 -3.122 7.180 -2.416 1.00 25.24 H new ATOM 0 HG22 VAL A 58 -3.196 6.200 -0.932 1.00 25.24 H new ATOM 0 HG23 VAL A 58 -4.534 6.142 -2.104 1.00 25.24 H new ATOM 819 N LEU A 59 -5.109 8.442 2.345 1.00 33.32 N ATOM 820 CA LEU A 59 -5.318 9.453 3.375 1.00 71.21 C ATOM 821 C LEU A 59 -4.701 10.785 2.964 1.00 0.52 C ATOM 822 O LEU A 59 -3.798 10.847 2.130 1.00 15.21 O ATOM 823 CB LEU A 59 -4.718 8.987 4.703 1.00 42.40 C ATOM 824 CG LEU A 59 -5.542 7.968 5.491 1.00 70.21 C ATOM 825 CD1 LEU A 59 -4.733 7.413 6.654 1.00 30.04 C ATOM 826 CD2 LEU A 59 -6.835 8.597 5.989 1.00 14.51 C ATOM 0 H LEU A 59 -4.472 7.692 2.613 1.00 33.32 H new ATOM 0 HA LEU A 59 -6.392 9.595 3.498 1.00 71.21 H new ATOM 0 HB2 LEU A 59 -3.737 8.555 4.504 1.00 42.40 H new ATOM 0 HB3 LEU A 59 -4.559 9.862 5.334 1.00 42.40 H new ATOM 0 HG LEU A 59 -5.797 7.143 4.826 1.00 70.21 H new ATOM 0 HD11 LEU A 59 -5.335 6.689 7.204 1.00 30.04 H new ATOM 0 HD12 LEU A 59 -3.836 6.924 6.273 1.00 30.04 H new ATOM 0 HD13 LEU A 59 -4.447 8.227 7.320 1.00 30.04 H new ATOM 0 HD21 LEU A 59 -7.408 7.857 6.547 1.00 14.51 H new ATOM 0 HD22 LEU A 59 -6.603 9.441 6.638 1.00 14.51 H new ATOM 0 HD23 LEU A 59 -7.422 8.944 5.139 1.00 14.51 H new ATOM 837 N PRO A 60 -5.194 11.878 3.566 1.00 64.23 N ATOM 838 CA PRO A 60 -4.704 13.229 3.281 1.00 53.22 C ATOM 839 C PRO A 60 -3.292 13.457 3.810 1.00 44.34 C ATOM 840 O PRO A 60 -2.571 14.328 3.327 1.00 70.34 O ATOM 841 CB PRO A 60 -5.701 14.130 4.012 1.00 33.41 C ATOM 842 CG PRO A 60 -6.246 13.282 5.109 1.00 75.40 C ATOM 843 CD PRO A 60 -6.270 11.877 4.572 1.00 74.21 C ATOM 0 HA PRO A 60 -4.641 13.422 2.210 1.00 53.22 H new ATOM 0 HB2 PRO A 60 -5.213 15.022 4.406 1.00 33.41 H new ATOM 0 HB3 PRO A 60 -6.492 14.469 3.343 1.00 33.41 H new ATOM 0 HG2 PRO A 60 -5.622 13.349 6.001 1.00 75.40 H new ATOM 0 HG3 PRO A 60 -7.246 13.608 5.394 1.00 75.40 H new ATOM 0 HD2 PRO A 60 -6.086 11.144 5.357 1.00 74.21 H new ATOM 0 HD3 PRO A 60 -7.235 11.633 4.128 1.00 74.21 H new ATOM 848 N ASN A 61 -2.904 12.667 4.807 1.00 20.13 N ATOM 849 CA ASN A 61 -1.578 12.784 5.401 1.00 5.14 C ATOM 850 C ASN A 61 -0.545 12.018 4.581 1.00 53.51 C ATOM 851 O ASN A 61 0.636 11.986 4.924 1.00 3.32 O ATOM 852 CB ASN A 61 -1.594 12.259 6.839 1.00 13.44 C ATOM 853 CG ASN A 61 -2.199 10.872 6.943 1.00 55.10 C ATOM 854 OD1 ASN A 61 -2.404 10.197 5.935 1.00 70.14 O ATOM 855 ND2 ASN A 61 -2.488 10.443 8.166 1.00 60.23 N ATOM 0 H ASN A 61 -3.489 11.940 5.219 1.00 20.13 H new ATOM 0 HA ASN A 61 -1.301 13.838 5.408 1.00 5.14 H new ATOM 0 HB2 ASN A 61 -0.575 12.238 7.226 1.00 13.44 H new ATOM 0 HB3 ASN A 61 -2.160 12.947 7.467 1.00 13.44 H new ATOM 0 HD21 ASN A 61 -2.898 9.518 8.299 1.00 60.23 H new ATOM 0 HD22 ASN A 61 -2.300 11.038 8.973 1.00 60.23 H new ATOM 861 N GLY A 62 -0.998 11.404 3.493 1.00 52.23 N ATOM 862 CA GLY A 62 -0.100 10.648 2.639 1.00 73.34 C ATOM 863 C GLY A 62 -0.038 9.182 3.017 1.00 43.41 C ATOM 864 O GLY A 62 0.983 8.524 2.817 1.00 3.43 O ATOM 0 H GLY A 62 -1.971 11.416 3.187 1.00 52.23 H new ATOM 0 HA2 GLY A 62 -0.426 10.739 1.603 1.00 73.34 H new ATOM 0 HA3 GLY A 62 0.900 11.078 2.698 1.00 73.34 H new ATOM 868 N SER A 63 -1.133 8.668 3.567 1.00 5.13 N ATOM 869 CA SER A 63 -1.198 7.271 3.980 1.00 45.53 C ATOM 870 C SER A 63 -2.159 6.486 3.093 1.00 44.10 C ATOM 871 O SER A 63 -2.748 7.032 2.158 1.00 12.53 O ATOM 872 CB SER A 63 -1.637 7.168 5.443 1.00 54.42 C ATOM 873 OG SER A 63 -0.527 7.279 6.316 1.00 3.45 O ATOM 0 H SER A 63 -1.988 9.198 3.737 1.00 5.13 H new ATOM 0 HA SER A 63 -0.202 6.841 3.876 1.00 45.53 H new ATOM 0 HB2 SER A 63 -2.359 7.954 5.666 1.00 54.42 H new ATOM 0 HB3 SER A 63 -2.141 6.216 5.609 1.00 54.42 H new ATOM 0 HG SER A 63 -0.833 7.212 7.245 1.00 3.45 H new ATOM 878 N LEU A 64 -2.315 5.200 3.392 1.00 63.33 N ATOM 879 CA LEU A 64 -3.205 4.339 2.621 1.00 4.20 C ATOM 880 C LEU A 64 -4.165 3.589 3.540 1.00 42.12 C ATOM 881 O LEU A 64 -3.748 2.972 4.521 1.00 53.21 O ATOM 882 CB LEU A 64 -2.391 3.342 1.793 1.00 63.33 C ATOM 883 CG LEU A 64 -3.165 2.570 0.725 1.00 72.13 C ATOM 884 CD1 LEU A 64 -3.698 3.518 -0.339 1.00 24.42 C ATOM 885 CD2 LEU A 64 -2.282 1.502 0.095 1.00 31.31 C ATOM 0 H LEU A 64 -1.837 4.732 4.162 1.00 63.33 H new ATOM 0 HA LEU A 64 -3.789 4.968 1.949 1.00 4.20 H new ATOM 0 HB2 LEU A 64 -1.579 3.882 1.306 1.00 63.33 H new ATOM 0 HB3 LEU A 64 -1.933 2.623 2.473 1.00 63.33 H new ATOM 0 HG LEU A 64 -4.013 2.079 1.202 1.00 72.13 H new ATOM 0 HD11 LEU A 64 -4.246 2.950 -1.091 1.00 24.42 H new ATOM 0 HD12 LEU A 64 -4.365 4.246 0.123 1.00 24.42 H new ATOM 0 HD13 LEU A 64 -2.866 4.038 -0.813 1.00 24.42 H new ATOM 0 HD21 LEU A 64 -2.849 0.962 -0.663 1.00 31.31 H new ATOM 0 HD22 LEU A 64 -1.415 1.973 -0.368 1.00 31.31 H new ATOM 0 HD23 LEU A 64 -1.949 0.805 0.864 1.00 31.31 H new ATOM 896 N PHE A 65 -5.451 3.643 3.214 1.00 31.55 N ATOM 897 CA PHE A 65 -6.472 2.969 4.009 1.00 52.14 C ATOM 898 C PHE A 65 -7.290 2.012 3.145 1.00 53.53 C ATOM 899 O PHE A 65 -7.768 2.382 2.071 1.00 2.25 O ATOM 900 CB PHE A 65 -7.396 3.995 4.669 1.00 40.45 C ATOM 901 CG PHE A 65 -8.584 3.380 5.350 1.00 50.33 C ATOM 902 CD1 PHE A 65 -8.436 2.265 6.161 1.00 40.43 C ATOM 903 CD2 PHE A 65 -9.850 3.915 5.181 1.00 13.12 C ATOM 904 CE1 PHE A 65 -9.527 1.697 6.789 1.00 70.41 C ATOM 905 CE2 PHE A 65 -10.946 3.352 5.807 1.00 64.04 C ATOM 906 CZ PHE A 65 -10.785 2.241 6.613 1.00 64.13 C ATOM 0 H PHE A 65 -5.812 4.147 2.404 1.00 31.55 H new ATOM 0 HA PHE A 65 -5.970 2.391 4.785 1.00 52.14 H new ATOM 0 HB2 PHE A 65 -6.826 4.569 5.399 1.00 40.45 H new ATOM 0 HB3 PHE A 65 -7.744 4.698 3.912 1.00 40.45 H new ATOM 0 HD1 PHE A 65 -7.455 1.835 6.303 1.00 40.43 H new ATOM 0 HD2 PHE A 65 -9.983 4.783 4.552 1.00 13.12 H new ATOM 0 HE1 PHE A 65 -9.397 0.828 7.417 1.00 70.41 H new ATOM 0 HE2 PHE A 65 -11.928 3.780 5.666 1.00 64.04 H new ATOM 0 HZ PHE A 65 -11.640 1.799 7.104 1.00 64.13 H new ATOM 915 N LEU A 66 -7.444 0.782 3.620 1.00 72.15 N ATOM 916 CA LEU A 66 -8.204 -0.229 2.892 1.00 4.22 C ATOM 917 C LEU A 66 -9.412 -0.691 3.703 1.00 53.31 C ATOM 918 O LEU A 66 -9.307 -1.025 4.882 1.00 21.33 O ATOM 919 CB LEU A 66 -7.310 -1.425 2.561 1.00 1.40 C ATOM 920 CG LEU A 66 -6.234 -1.187 1.501 1.00 21.03 C ATOM 921 CD1 LEU A 66 -5.118 -0.318 2.061 1.00 44.03 C ATOM 922 CD2 LEU A 66 -5.679 -2.511 0.998 1.00 31.20 C ATOM 0 H LEU A 66 -7.053 0.460 4.505 1.00 72.15 H new ATOM 0 HA LEU A 66 -8.562 0.218 1.964 1.00 4.22 H new ATOM 0 HB2 LEU A 66 -6.821 -1.752 3.479 1.00 1.40 H new ATOM 0 HB3 LEU A 66 -7.945 -2.246 2.227 1.00 1.40 H new ATOM 0 HG LEU A 66 -6.688 -0.663 0.660 1.00 21.03 H new ATOM 0 HD11 LEU A 66 -4.361 -0.159 1.293 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -5.527 0.643 2.372 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -4.666 -0.815 2.919 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -4.915 -2.322 0.244 1.00 31.20 H new ATOM 0 HD22 LEU A 66 -5.240 -3.061 1.830 1.00 31.20 H new ATOM 0 HD23 LEU A 66 -6.484 -3.100 0.559 1.00 31.20 H new ATOM 933 N PRO A 67 -10.586 -0.711 3.054 1.00 34.24 N ATOM 934 CA PRO A 67 -11.836 -1.133 3.693 1.00 73.10 C ATOM 935 C PRO A 67 -11.861 -2.629 3.988 1.00 32.25 C ATOM 936 O PRO A 67 -12.366 -3.057 5.025 1.00 42.43 O ATOM 937 CB PRO A 67 -12.903 -0.775 2.656 1.00 34.04 C ATOM 938 CG PRO A 67 -12.184 -0.789 1.351 1.00 42.31 C ATOM 939 CD PRO A 67 -10.784 -0.326 1.646 1.00 45.54 C ATOM 0 HA PRO A 67 -11.982 -0.651 4.659 1.00 73.10 H new ATOM 0 HB2 PRO A 67 -13.721 -1.495 2.665 1.00 34.04 H new ATOM 0 HB3 PRO A 67 -13.338 0.204 2.858 1.00 34.04 H new ATOM 0 HG2 PRO A 67 -12.181 -1.789 0.917 1.00 42.31 H new ATOM 0 HG3 PRO A 67 -12.669 -0.131 0.631 1.00 42.31 H new ATOM 0 HD2 PRO A 67 -10.056 -0.806 0.992 1.00 45.54 H new ATOM 0 HD3 PRO A 67 -10.679 0.750 1.505 1.00 45.54 H new ATOM 944 N ALA A 68 -11.311 -3.417 3.070 1.00 42.33 N ATOM 945 CA ALA A 68 -11.268 -4.865 3.234 1.00 1.42 C ATOM 946 C ALA A 68 -10.269 -5.497 2.270 1.00 21.42 C ATOM 947 O ALA A 68 -10.542 -5.631 1.078 1.00 12.32 O ATOM 948 CB ALA A 68 -12.652 -5.461 3.029 1.00 14.10 C ATOM 0 H ALA A 68 -10.889 -3.077 2.206 1.00 42.33 H new ATOM 0 HA ALA A 68 -10.939 -5.081 4.250 1.00 1.42 H new ATOM 0 HB1 ALA A 68 -12.605 -6.543 3.154 1.00 14.10 H new ATOM 0 HB2 ALA A 68 -13.341 -5.041 3.761 1.00 14.10 H new ATOM 0 HB3 ALA A 68 -13.004 -5.227 2.024 1.00 14.10 H new ATOM 954 N VAL A 69 -9.111 -5.883 2.794 1.00 12.13 N ATOM 955 CA VAL A 69 -8.072 -6.502 1.980 1.00 14.24 C ATOM 956 C VAL A 69 -8.439 -7.936 1.618 1.00 51.44 C ATOM 957 O VAL A 69 -8.548 -8.799 2.487 1.00 23.23 O ATOM 958 CB VAL A 69 -6.713 -6.499 2.707 1.00 33.11 C ATOM 959 CG1 VAL A 69 -6.161 -5.085 2.802 1.00 41.32 C ATOM 960 CG2 VAL A 69 -6.847 -7.122 4.088 1.00 1.01 C ATOM 0 H VAL A 69 -8.868 -5.778 3.779 1.00 12.13 H new ATOM 0 HA VAL A 69 -7.989 -5.910 1.068 1.00 14.24 H new ATOM 0 HB VAL A 69 -6.010 -7.099 2.129 1.00 33.11 H new ATOM 0 HG11 VAL A 69 -5.201 -5.103 3.318 1.00 41.32 H new ATOM 0 HG12 VAL A 69 -6.026 -4.679 1.799 1.00 41.32 H new ATOM 0 HG13 VAL A 69 -6.859 -4.458 3.356 1.00 41.32 H new ATOM 0 HG21 VAL A 69 -5.878 -7.112 4.587 1.00 1.01 H new ATOM 0 HG22 VAL A 69 -7.565 -6.551 4.677 1.00 1.01 H new ATOM 0 HG23 VAL A 69 -7.194 -8.151 3.991 1.00 1.01 H new ATOM 970 N GLY A 70 -8.626 -8.184 0.325 1.00 75.12 N ATOM 971 CA GLY A 70 -8.979 -9.516 -0.131 1.00 53.24 C ATOM 972 C GLY A 70 -7.762 -10.349 -0.486 1.00 72.32 C ATOM 973 O GLY A 70 -6.660 -9.819 -0.628 1.00 52.30 O ATOM 0 H GLY A 70 -8.539 -7.487 -0.414 1.00 75.12 H new ATOM 0 HA2 GLY A 70 -9.549 -10.024 0.647 1.00 53.24 H new ATOM 0 HA3 GLY A 70 -9.629 -9.438 -1.003 1.00 53.24 H new ATOM 977 N ILE A 71 -7.962 -11.654 -0.629 1.00 64.21 N ATOM 978 CA ILE A 71 -6.872 -12.560 -0.969 1.00 75.15 C ATOM 979 C ILE A 71 -6.149 -12.101 -2.230 1.00 72.43 C ATOM 980 O ILE A 71 -4.950 -12.328 -2.386 1.00 74.35 O ATOM 981 CB ILE A 71 -7.380 -13.999 -1.177 1.00 72.23 C ATOM 982 CG1 ILE A 71 -6.351 -15.006 -0.661 1.00 42.05 C ATOM 983 CG2 ILE A 71 -7.682 -14.246 -2.647 1.00 22.02 C ATOM 984 CD1 ILE A 71 -6.274 -16.269 -1.491 1.00 1.12 C ATOM 0 H ILE A 71 -8.868 -12.108 -0.515 1.00 64.21 H new ATOM 0 HA ILE A 71 -6.177 -12.547 -0.129 1.00 75.15 H new ATOM 0 HB ILE A 71 -8.302 -14.129 -0.610 1.00 72.23 H new ATOM 0 HG12 ILE A 71 -5.369 -14.533 -0.642 1.00 42.05 H new ATOM 0 HG13 ILE A 71 -6.597 -15.271 0.367 1.00 42.05 H new ATOM 0 HG21 ILE A 71 -8.040 -15.267 -2.778 1.00 22.02 H new ATOM 0 HG22 ILE A 71 -8.448 -13.547 -2.984 1.00 22.02 H new ATOM 0 HG23 ILE A 71 -6.775 -14.101 -3.234 1.00 22.02 H new ATOM 0 HD11 ILE A 71 -5.524 -16.938 -1.068 1.00 1.12 H new ATOM 0 HD12 ILE A 71 -7.245 -16.765 -1.490 1.00 1.12 H new ATOM 0 HD13 ILE A 71 -5.997 -16.016 -2.514 1.00 1.12 H new ATOM 995 N GLN A 72 -6.886 -11.452 -3.127 1.00 64.11 N ATOM 996 CA GLN A 72 -6.314 -10.961 -4.374 1.00 21.02 C ATOM 997 C GLN A 72 -5.486 -9.703 -4.134 1.00 22.55 C ATOM 998 O GLN A 72 -4.605 -9.367 -4.925 1.00 63.23 O ATOM 999 CB GLN A 72 -7.421 -10.671 -5.388 1.00 20.24 C ATOM 1000 CG GLN A 72 -7.916 -11.907 -6.119 1.00 52.05 C ATOM 1001 CD GLN A 72 -9.259 -11.693 -6.789 1.00 62.31 C ATOM 1002 OE1 GLN A 72 -10.210 -12.437 -6.549 1.00 22.30 O ATOM 1003 NE2 GLN A 72 -9.344 -10.671 -7.633 1.00 41.50 N ATOM 0 H GLN A 72 -7.880 -11.255 -3.012 1.00 64.11 H new ATOM 0 HA GLN A 72 -5.659 -11.735 -4.774 1.00 21.02 H new ATOM 0 HB2 GLN A 72 -8.260 -10.203 -4.873 1.00 20.24 H new ATOM 0 HB3 GLN A 72 -7.053 -9.950 -6.118 1.00 20.24 H new ATOM 0 HG2 GLN A 72 -7.182 -12.198 -6.871 1.00 52.05 H new ATOM 0 HG3 GLN A 72 -7.994 -12.734 -5.413 1.00 52.05 H new ATOM 0 HE21 GLN A 72 -8.530 -10.080 -7.802 1.00 41.50 H new ATOM 0 HE22 GLN A 72 -10.223 -10.477 -8.112 1.00 41.50 H new ATOM 1010 N ASP A 73 -5.774 -9.012 -3.036 1.00 34.31 N ATOM 1011 CA ASP A 73 -5.056 -7.789 -2.691 1.00 62.25 C ATOM 1012 C ASP A 73 -3.719 -8.114 -2.031 1.00 23.42 C ATOM 1013 O ASP A 73 -2.953 -7.214 -1.688 1.00 1.30 O ATOM 1014 CB ASP A 73 -5.902 -6.921 -1.761 1.00 32.33 C ATOM 1015 CG ASP A 73 -6.483 -5.711 -2.467 1.00 1.23 C ATOM 1016 OD1 ASP A 73 -5.696 -4.894 -2.987 1.00 53.43 O ATOM 1017 OD2 ASP A 73 -7.725 -5.581 -2.497 1.00 5.25 O ATOM 0 H ASP A 73 -6.499 -9.277 -2.370 1.00 34.31 H new ATOM 0 HA ASP A 73 -4.862 -7.237 -3.611 1.00 62.25 H new ATOM 0 HB2 ASP A 73 -6.713 -7.520 -1.347 1.00 32.33 H new ATOM 0 HB3 ASP A 73 -5.290 -6.589 -0.922 1.00 32.33 H new ATOM 1021 N GLU A 74 -3.450 -9.404 -1.854 1.00 42.14 N ATOM 1022 CA GLU A 74 -2.207 -9.845 -1.233 1.00 13.33 C ATOM 1023 C GLU A 74 -1.005 -9.482 -2.101 1.00 51.42 C ATOM 1024 O GLU A 74 -1.061 -9.570 -3.327 1.00 62.31 O ATOM 1025 CB GLU A 74 -2.239 -11.356 -0.994 1.00 51.24 C ATOM 1026 CG GLU A 74 -2.055 -12.176 -2.261 1.00 20.22 C ATOM 1027 CD GLU A 74 -1.985 -13.665 -1.985 1.00 63.02 C ATOM 1028 OE1 GLU A 74 -2.917 -14.194 -1.344 1.00 41.53 O ATOM 1029 OE2 GLU A 74 -1.000 -14.303 -2.411 1.00 52.43 O ATOM 0 H GLU A 74 -4.075 -10.161 -2.132 1.00 42.14 H new ATOM 0 HA GLU A 74 -2.109 -9.334 -0.275 1.00 13.33 H new ATOM 0 HB2 GLU A 74 -1.456 -11.620 -0.283 1.00 51.24 H new ATOM 0 HB3 GLU A 74 -3.190 -11.623 -0.533 1.00 51.24 H new ATOM 0 HG2 GLU A 74 -2.881 -11.975 -2.943 1.00 20.22 H new ATOM 0 HG3 GLU A 74 -1.142 -11.860 -2.765 1.00 20.22 H new ATOM 1034 N GLY A 75 0.082 -9.070 -1.454 1.00 5.01 N ATOM 1035 CA GLY A 75 1.282 -8.699 -2.181 1.00 43.23 C ATOM 1036 C GLY A 75 2.219 -7.843 -1.353 1.00 74.33 C ATOM 1037 O GLY A 75 2.329 -8.023 -0.141 1.00 60.32 O ATOM 0 H GLY A 75 0.152 -8.987 -0.440 1.00 5.01 H new ATOM 0 HA2 GLY A 75 1.804 -9.601 -2.499 1.00 43.23 H new ATOM 0 HA3 GLY A 75 1.003 -8.157 -3.085 1.00 43.23 H new ATOM 1041 N ILE A 76 2.897 -6.907 -2.011 1.00 41.41 N ATOM 1042 CA ILE A 76 3.830 -6.021 -1.327 1.00 74.22 C ATOM 1043 C ILE A 76 3.571 -4.563 -1.695 1.00 11.35 C ATOM 1044 O ILE A 76 3.388 -4.229 -2.865 1.00 63.12 O ATOM 1045 CB ILE A 76 5.292 -6.371 -1.665 1.00 63.34 C ATOM 1046 CG1 ILE A 76 5.651 -7.748 -1.104 1.00 72.03 C ATOM 1047 CG2 ILE A 76 6.231 -5.308 -1.119 1.00 2.23 C ATOM 1048 CD1 ILE A 76 5.122 -8.896 -1.936 1.00 13.24 C ATOM 0 H ILE A 76 2.817 -6.744 -3.015 1.00 41.41 H new ATOM 0 HA ILE A 76 3.670 -6.159 -0.258 1.00 74.22 H new ATOM 0 HB ILE A 76 5.402 -6.401 -2.749 1.00 63.34 H new ATOM 0 HG12 ILE A 76 6.736 -7.831 -1.033 1.00 72.03 H new ATOM 0 HG13 ILE A 76 5.258 -7.833 -0.091 1.00 72.03 H new ATOM 0 HG21 ILE A 76 7.260 -5.570 -1.366 1.00 2.23 H new ATOM 0 HG22 ILE A 76 5.986 -4.343 -1.563 1.00 2.23 H new ATOM 0 HG23 ILE A 76 6.122 -5.248 -0.036 1.00 2.23 H new ATOM 0 HD11 ILE A 76 5.414 -9.841 -1.479 1.00 13.24 H new ATOM 0 HD12 ILE A 76 4.035 -8.838 -1.986 1.00 13.24 H new ATOM 0 HD13 ILE A 76 5.535 -8.837 -2.943 1.00 13.24 H new ATOM 1059 N PHE A 77 3.562 -3.698 -0.686 1.00 1.02 N ATOM 1060 CA PHE A 77 3.326 -2.274 -0.901 1.00 42.33 C ATOM 1061 C PHE A 77 4.631 -1.489 -0.816 1.00 75.23 C ATOM 1062 O PHE A 77 5.444 -1.708 0.082 1.00 32.45 O ATOM 1063 CB PHE A 77 2.328 -1.738 0.127 1.00 44.41 C ATOM 1064 CG PHE A 77 0.931 -2.254 -0.069 1.00 2.04 C ATOM 1065 CD1 PHE A 77 0.644 -3.600 0.097 1.00 32.34 C ATOM 1066 CD2 PHE A 77 -0.096 -1.394 -0.421 1.00 32.22 C ATOM 1067 CE1 PHE A 77 -0.641 -4.076 -0.081 1.00 41.42 C ATOM 1068 CE2 PHE A 77 -1.382 -1.864 -0.602 1.00 25.35 C ATOM 1069 CZ PHE A 77 -1.655 -3.208 -0.433 1.00 42.34 C ATOM 0 H PHE A 77 3.715 -3.958 0.288 1.00 1.02 H new ATOM 0 HA PHE A 77 2.909 -2.148 -1.900 1.00 42.33 H new ATOM 0 HB2 PHE A 77 2.669 -2.006 1.127 1.00 44.41 H new ATOM 0 HB3 PHE A 77 2.315 -0.649 0.076 1.00 44.41 H new ATOM 0 HD1 PHE A 77 1.434 -4.285 0.369 1.00 32.34 H new ATOM 0 HD2 PHE A 77 0.111 -0.343 -0.556 1.00 32.22 H new ATOM 0 HE1 PHE A 77 -0.852 -5.126 0.055 1.00 41.42 H new ATOM 0 HE2 PHE A 77 -2.173 -1.182 -0.875 1.00 25.35 H new ATOM 0 HZ PHE A 77 -2.659 -3.578 -0.576 1.00 42.34 H new ATOM 1078 N ARG A 78 4.826 -0.574 -1.759 1.00 35.23 N ATOM 1079 CA ARG A 78 6.033 0.245 -1.793 1.00 34.14 C ATOM 1080 C ARG A 78 5.682 1.727 -1.882 1.00 1.25 C ATOM 1081 O ARG A 78 4.874 2.137 -2.716 1.00 14.55 O ATOM 1082 CB ARG A 78 6.911 -0.154 -2.980 1.00 35.22 C ATOM 1083 CG ARG A 78 8.347 -0.471 -2.595 1.00 45.33 C ATOM 1084 CD ARG A 78 9.104 0.782 -2.184 1.00 3.11 C ATOM 1085 NE ARG A 78 9.475 1.601 -3.336 1.00 24.21 N ATOM 1086 CZ ARG A 78 10.260 2.668 -3.256 1.00 54.11 C ATOM 1087 NH1 ARG A 78 10.759 3.044 -2.086 1.00 64.12 N ATOM 1088 NH2 ARG A 78 10.552 3.361 -4.349 1.00 51.03 N ATOM 0 H ARG A 78 4.164 -0.380 -2.510 1.00 35.23 H new ATOM 0 HA ARG A 78 6.584 0.075 -0.868 1.00 34.14 H new ATOM 0 HB2 ARG A 78 6.474 -1.025 -3.468 1.00 35.22 H new ATOM 0 HB3 ARG A 78 6.910 0.655 -3.710 1.00 35.22 H new ATOM 0 HG2 ARG A 78 8.355 -1.188 -1.774 1.00 45.33 H new ATOM 0 HG3 ARG A 78 8.854 -0.944 -3.436 1.00 45.33 H new ATOM 0 HD2 ARG A 78 8.488 1.371 -1.504 1.00 3.11 H new ATOM 0 HD3 ARG A 78 10.003 0.499 -1.636 1.00 3.11 H new ATOM 0 HE ARG A 78 9.111 1.338 -4.252 1.00 24.21 H new ATOM 0 HH11 ARG A 78 10.540 2.512 -1.244 1.00 64.12 H new ATOM 0 HH12 ARG A 78 11.362 3.865 -2.029 1.00 64.12 H new ATOM 0 HH21 ARG A 78 10.173 3.074 -5.251 1.00 51.03 H new ATOM 0 HH22 ARG A 78 11.155 4.181 -4.287 1.00 51.03 H new ATOM 1099 N CYS A 79 6.295 2.527 -1.015 1.00 41.03 N ATOM 1100 CA CYS A 79 6.048 3.964 -0.994 1.00 5.35 C ATOM 1101 C CYS A 79 7.334 4.741 -1.264 1.00 22.12 C ATOM 1102 O CYS A 79 8.424 4.301 -0.899 1.00 33.24 O ATOM 1103 CB CYS A 79 5.461 4.382 0.356 1.00 4.41 C ATOM 1104 SG CYS A 79 6.290 5.814 1.117 1.00 11.41 S ATOM 0 H CYS A 79 6.966 2.204 -0.318 1.00 41.03 H new ATOM 0 HA CYS A 79 5.332 4.196 -1.782 1.00 5.35 H new ATOM 0 HB2 CYS A 79 4.405 4.616 0.224 1.00 4.41 H new ATOM 0 HB3 CYS A 79 5.517 3.537 1.042 1.00 4.41 H new ATOM 1108 N GLN A 80 7.196 5.897 -1.905 1.00 1.22 N ATOM 1109 CA GLN A 80 8.347 6.735 -2.223 1.00 74.33 C ATOM 1110 C GLN A 80 7.979 8.213 -2.157 1.00 34.13 C ATOM 1111 O GLN A 80 7.018 8.653 -2.788 1.00 3.32 O ATOM 1112 CB GLN A 80 8.884 6.392 -3.614 1.00 61.21 C ATOM 1113 CG GLN A 80 9.926 7.375 -4.122 1.00 72.41 C ATOM 1114 CD GLN A 80 10.592 6.908 -5.402 1.00 35.44 C ATOM 1115 OE1 GLN A 80 11.249 5.869 -5.430 1.00 12.31 O ATOM 1116 NE2 GLN A 80 10.425 7.679 -6.472 1.00 22.34 N ATOM 0 H GLN A 80 6.300 6.275 -2.214 1.00 1.22 H new ATOM 0 HA GLN A 80 9.123 6.540 -1.483 1.00 74.33 H new ATOM 0 HB2 GLN A 80 9.320 5.393 -3.590 1.00 61.21 H new ATOM 0 HB3 GLN A 80 8.052 6.360 -4.318 1.00 61.21 H new ATOM 0 HG2 GLN A 80 9.454 8.342 -4.294 1.00 72.41 H new ATOM 0 HG3 GLN A 80 10.686 7.523 -3.354 1.00 72.41 H new ATOM 0 HE21 GLN A 80 9.872 8.533 -6.404 1.00 22.34 H new ATOM 0 HE22 GLN A 80 10.850 7.416 -7.361 1.00 22.34 H new ATOM 1123 N ALA A 81 8.750 8.976 -1.389 1.00 21.22 N ATOM 1124 CA ALA A 81 8.506 10.406 -1.241 1.00 60.32 C ATOM 1125 C ALA A 81 9.793 11.203 -1.418 1.00 55.02 C ATOM 1126 O ALA A 81 10.891 10.653 -1.339 1.00 13.30 O ATOM 1127 CB ALA A 81 7.884 10.698 0.115 1.00 42.10 C ATOM 0 H ALA A 81 9.549 8.628 -0.859 1.00 21.22 H new ATOM 0 HA ALA A 81 7.809 10.713 -2.021 1.00 60.32 H new ATOM 0 HB1 ALA A 81 7.708 11.769 0.211 1.00 42.10 H new ATOM 0 HB2 ALA A 81 6.937 10.165 0.203 1.00 42.10 H new ATOM 0 HB3 ALA A 81 8.561 10.369 0.904 1.00 42.10 H new ATOM 1133 N MET A 82 9.650 12.502 -1.660 1.00 32.44 N ATOM 1134 CA MET A 82 10.802 13.377 -1.847 1.00 43.51 C ATOM 1135 C MET A 82 10.690 14.619 -0.972 1.00 54.32 C ATOM 1136 O MET A 82 9.694 15.338 -1.022 1.00 24.30 O ATOM 1137 CB MET A 82 10.928 13.782 -3.318 1.00 2.21 C ATOM 1138 CG MET A 82 12.120 14.682 -3.600 1.00 43.21 C ATOM 1139 SD MET A 82 13.658 13.758 -3.784 1.00 75.22 S ATOM 1140 CE MET A 82 13.265 12.726 -5.194 1.00 44.13 C ATOM 0 H MET A 82 8.748 12.972 -1.731 1.00 32.44 H new ATOM 0 HA MET A 82 11.696 12.828 -1.551 1.00 43.51 H new ATOM 0 HB2 MET A 82 11.010 12.883 -3.928 1.00 2.21 H new ATOM 0 HB3 MET A 82 10.016 14.294 -3.625 1.00 2.21 H new ATOM 0 HG2 MET A 82 11.932 15.253 -4.509 1.00 43.21 H new ATOM 0 HG3 MET A 82 12.228 15.401 -2.788 1.00 43.21 H new ATOM 0 HE1 MET A 82 14.187 12.397 -5.672 1.00 44.13 H new ATOM 0 HE2 MET A 82 12.698 11.856 -4.862 1.00 44.13 H new ATOM 0 HE3 MET A 82 12.670 13.296 -5.908 1.00 44.13 H new ATOM 1148 N ASN A 83 11.722 14.868 -0.170 1.00 25.53 N ATOM 1149 CA ASN A 83 11.738 16.025 0.718 1.00 21.55 C ATOM 1150 C ASN A 83 12.274 17.257 -0.004 1.00 62.02 C ATOM 1151 O ASN A 83 12.767 17.164 -1.128 1.00 12.11 O ATOM 1152 CB ASN A 83 12.589 15.734 1.954 1.00 3.42 C ATOM 1153 CG ASN A 83 11.836 14.933 2.999 1.00 43.02 C ATOM 1154 OD1 ASN A 83 11.359 15.481 3.994 1.00 13.44 O ATOM 1155 ND2 ASN A 83 11.727 13.629 2.780 1.00 65.42 N ATOM 0 H ASN A 83 12.557 14.284 -0.117 1.00 25.53 H new ATOM 0 HA ASN A 83 10.713 16.226 1.030 1.00 21.55 H new ATOM 0 HB2 ASN A 83 13.483 15.187 1.655 1.00 3.42 H new ATOM 0 HB3 ASN A 83 12.922 16.675 2.392 1.00 3.42 H new ATOM 0 HD21 ASN A 83 11.233 13.039 3.449 1.00 65.42 H new ATOM 0 HD22 ASN A 83 12.137 13.216 1.942 1.00 65.42 H new ATOM 1161 N ARG A 84 12.175 18.409 0.649 1.00 33.34 N ATOM 1162 CA ARG A 84 12.650 19.660 0.071 1.00 60.43 C ATOM 1163 C ARG A 84 14.175 19.700 0.038 1.00 64.34 C ATOM 1164 O ARG A 84 14.769 20.487 -0.700 1.00 45.22 O ATOM 1165 CB ARG A 84 12.115 20.852 0.867 1.00 1.12 C ATOM 1166 CG ARG A 84 11.796 22.064 0.008 1.00 35.04 C ATOM 1167 CD ARG A 84 11.825 23.347 0.823 1.00 14.25 C ATOM 1168 NE ARG A 84 10.682 24.209 0.532 1.00 62.03 N ATOM 1169 CZ ARG A 84 9.448 23.962 0.960 1.00 14.32 C ATOM 1170 NH1 ARG A 84 9.202 22.888 1.696 1.00 24.23 N ATOM 1171 NH2 ARG A 84 8.460 24.793 0.654 1.00 62.14 N ATOM 0 H ARG A 84 11.769 18.502 1.580 1.00 33.34 H new ATOM 0 HA ARG A 84 12.280 19.720 -0.952 1.00 60.43 H new ATOM 0 HB2 ARG A 84 11.214 20.547 1.400 1.00 1.12 H new ATOM 0 HB3 ARG A 84 12.850 21.135 1.620 1.00 1.12 H new ATOM 0 HG2 ARG A 84 12.516 22.133 -0.807 1.00 35.04 H new ATOM 0 HG3 ARG A 84 10.812 21.942 -0.445 1.00 35.04 H new ATOM 0 HD2 ARG A 84 11.832 23.101 1.885 1.00 14.25 H new ATOM 0 HD3 ARG A 84 12.748 23.887 0.615 1.00 14.25 H new ATOM 0 HE ARG A 84 10.839 25.046 -0.030 1.00 62.03 H new ATOM 0 HH11 ARG A 84 9.960 22.249 1.935 1.00 24.23 H new ATOM 0 HH12 ARG A 84 8.254 22.700 2.023 1.00 24.23 H new ATOM 0 HH21 ARG A 84 8.647 25.622 0.090 1.00 62.14 H new ATOM 0 HH22 ARG A 84 7.513 24.603 0.983 1.00 62.14 H new ATOM 1182 N ASN A 85 14.802 18.846 0.841 1.00 1.14 N ATOM 1183 CA ASN A 85 16.257 18.785 0.905 1.00 3.43 C ATOM 1184 C ASN A 85 16.829 18.126 -0.347 1.00 11.10 C ATOM 1185 O ASN A 85 18.005 18.292 -0.666 1.00 11.12 O ATOM 1186 CB ASN A 85 16.701 18.012 2.149 1.00 31.21 C ATOM 1187 CG ASN A 85 16.566 18.834 3.417 1.00 51.40 C ATOM 1188 OD1 ASN A 85 15.842 18.458 4.339 1.00 51.51 O ATOM 1189 ND2 ASN A 85 17.267 19.961 3.469 1.00 42.12 N ATOM 0 H ASN A 85 14.325 18.187 1.456 1.00 1.14 H new ATOM 0 HA ASN A 85 16.637 19.805 0.964 1.00 3.43 H new ATOM 0 HB2 ASN A 85 16.105 17.104 2.242 1.00 31.21 H new ATOM 0 HB3 ASN A 85 17.739 17.701 2.029 1.00 31.21 H new ATOM 0 HD21 ASN A 85 17.218 20.554 4.297 1.00 42.12 H new ATOM 0 HD22 ASN A 85 17.854 20.233 2.681 1.00 42.12 H new ATOM 1195 N GLY A 86 15.985 17.377 -1.052 1.00 14.45 N ATOM 1196 CA GLY A 86 16.426 16.707 -2.262 1.00 44.22 C ATOM 1197 C GLY A 86 16.555 15.207 -2.077 1.00 62.42 C ATOM 1198 O GLY A 86 16.720 14.466 -3.047 1.00 72.40 O ATOM 0 H GLY A 86 15.007 17.223 -0.807 1.00 14.45 H new ATOM 0 HA2 GLY A 86 15.719 16.912 -3.066 1.00 44.22 H new ATOM 0 HA3 GLY A 86 17.388 17.116 -2.571 1.00 44.22 H new ATOM 1202 N LYS A 87 16.482 14.757 -0.830 1.00 22.12 N ATOM 1203 CA LYS A 87 16.592 13.337 -0.519 1.00 44.11 C ATOM 1204 C LYS A 87 15.241 12.642 -0.661 1.00 22.12 C ATOM 1205 O LYS A 87 14.199 13.231 -0.377 1.00 64.32 O ATOM 1206 CB LYS A 87 17.130 13.143 0.900 1.00 14.44 C ATOM 1207 CG LYS A 87 18.571 13.594 1.070 1.00 12.15 C ATOM 1208 CD LYS A 87 19.543 12.600 0.457 1.00 73.42 C ATOM 1209 CE LYS A 87 20.904 13.231 0.210 1.00 72.55 C ATOM 1210 NZ LYS A 87 21.794 12.339 -0.582 1.00 21.00 N ATOM 0 H LYS A 87 16.347 15.357 -0.016 1.00 22.12 H new ATOM 0 HA LYS A 87 17.288 12.889 -1.229 1.00 44.11 H new ATOM 0 HB2 LYS A 87 16.500 13.696 1.597 1.00 14.44 H new ATOM 0 HB3 LYS A 87 17.054 12.089 1.168 1.00 14.44 H new ATOM 0 HG2 LYS A 87 18.705 14.570 0.604 1.00 12.15 H new ATOM 0 HG3 LYS A 87 18.793 13.714 2.130 1.00 12.15 H new ATOM 0 HD2 LYS A 87 19.654 11.742 1.120 1.00 73.42 H new ATOM 0 HD3 LYS A 87 19.138 12.226 -0.483 1.00 73.42 H new ATOM 0 HE2 LYS A 87 20.776 14.176 -0.317 1.00 72.55 H new ATOM 0 HE3 LYS A 87 21.377 13.460 1.165 1.00 72.55 H new ATOM 0 HZ1 LYS A 87 22.712 12.806 -0.729 1.00 21.00 H new ATOM 0 HZ2 LYS A 87 21.938 11.447 -0.068 1.00 21.00 H new ATOM 0 HZ3 LYS A 87 21.355 12.141 -1.504 1.00 21.00 H new ATOM 1220 N GLU A 88 15.268 11.388 -1.100 1.00 33.42 N ATOM 1221 CA GLU A 88 14.045 10.615 -1.278 1.00 30.32 C ATOM 1222 C GLU A 88 13.892 9.576 -0.170 1.00 21.42 C ATOM 1223 O GLU A 88 14.869 8.972 0.270 1.00 1.55 O ATOM 1224 CB GLU A 88 14.045 9.924 -2.644 1.00 12.43 C ATOM 1225 CG GLU A 88 12.818 9.064 -2.891 1.00 32.30 C ATOM 1226 CD GLU A 88 13.008 8.093 -4.041 1.00 42.02 C ATOM 1227 OE1 GLU A 88 12.925 8.533 -5.207 1.00 50.20 O ATOM 1228 OE2 GLU A 88 13.237 6.895 -3.775 1.00 14.12 O ATOM 0 H GLU A 88 16.123 10.886 -1.339 1.00 33.42 H new ATOM 0 HA GLU A 88 13.201 11.303 -1.227 1.00 30.32 H new ATOM 0 HB2 GLU A 88 14.110 10.682 -3.425 1.00 12.43 H new ATOM 0 HB3 GLU A 88 14.937 9.303 -2.727 1.00 12.43 H new ATOM 0 HG2 GLU A 88 12.581 8.506 -1.985 1.00 32.30 H new ATOM 0 HG3 GLU A 88 11.964 9.708 -3.101 1.00 32.30 H new ATOM 1233 N THR A 89 12.655 9.374 0.275 1.00 13.52 N ATOM 1234 CA THR A 89 12.373 8.410 1.333 1.00 64.42 C ATOM 1235 C THR A 89 11.752 7.140 0.765 1.00 62.41 C ATOM 1236 O THR A 89 10.785 7.194 0.005 1.00 12.52 O ATOM 1237 CB THR A 89 11.426 9.002 2.393 1.00 34.15 C ATOM 1238 OG1 THR A 89 11.383 10.428 2.269 1.00 32.45 O ATOM 1239 CG2 THR A 89 11.879 8.623 3.795 1.00 0.52 C ATOM 0 H THR A 89 11.834 9.864 -0.080 1.00 13.52 H new ATOM 0 HA THR A 89 13.326 8.167 1.804 1.00 64.42 H new ATOM 0 HB THR A 89 10.429 8.593 2.228 1.00 34.15 H new ATOM 0 HG1 THR A 89 11.821 10.837 3.044 1.00 32.45 H new ATOM 0 HG21 THR A 89 11.195 9.052 4.527 1.00 0.52 H new ATOM 0 HG22 THR A 89 11.883 7.538 3.895 1.00 0.52 H new ATOM 0 HG23 THR A 89 12.884 9.007 3.969 1.00 0.52 H new ATOM 1247 N LYS A 90 12.311 5.995 1.141 1.00 4.42 N ATOM 1248 CA LYS A 90 11.812 4.708 0.673 1.00 40.04 C ATOM 1249 C LYS A 90 11.049 3.984 1.777 1.00 20.24 C ATOM 1250 O LYS A 90 11.409 4.069 2.952 1.00 52.24 O ATOM 1251 CB LYS A 90 12.970 3.835 0.182 1.00 71.20 C ATOM 1252 CG LYS A 90 13.852 3.311 1.301 1.00 31.35 C ATOM 1253 CD LYS A 90 15.266 3.042 0.816 1.00 13.34 C ATOM 1254 CE LYS A 90 15.273 2.178 -0.435 1.00 21.02 C ATOM 1255 NZ LYS A 90 16.565 2.271 -1.168 1.00 11.11 N ATOM 0 H LYS A 90 13.112 5.932 1.770 1.00 4.42 H new ATOM 0 HA LYS A 90 11.128 4.893 -0.155 1.00 40.04 H new ATOM 0 HB2 LYS A 90 12.566 2.991 -0.377 1.00 71.20 H new ATOM 0 HB3 LYS A 90 13.581 4.413 -0.511 1.00 71.20 H new ATOM 0 HG2 LYS A 90 13.877 4.035 2.115 1.00 31.35 H new ATOM 0 HG3 LYS A 90 13.424 2.393 1.704 1.00 31.35 H new ATOM 0 HD2 LYS A 90 15.766 3.988 0.609 1.00 13.34 H new ATOM 0 HD3 LYS A 90 15.834 2.547 1.604 1.00 13.34 H new ATOM 0 HE2 LYS A 90 15.086 1.140 -0.160 1.00 21.02 H new ATOM 0 HE3 LYS A 90 14.460 2.485 -1.093 1.00 21.02 H new ATOM 0 HZ1 LYS A 90 16.528 1.667 -2.014 1.00 11.11 H new ATOM 0 HZ2 LYS A 90 16.732 3.257 -1.453 1.00 11.11 H new ATOM 0 HZ3 LYS A 90 17.339 1.954 -0.550 1.00 11.11 H new ATOM 1265 N SER A 91 9.993 3.272 1.396 1.00 54.15 N ATOM 1266 CA SER A 91 9.180 2.536 2.355 1.00 11.30 C ATOM 1267 C SER A 91 8.653 1.241 1.741 1.00 14.33 C ATOM 1268 O SER A 91 7.946 1.263 0.735 1.00 54.31 O ATOM 1269 CB SER A 91 8.011 3.399 2.833 1.00 21.44 C ATOM 1270 OG SER A 91 8.428 4.731 3.080 1.00 43.51 O ATOM 0 H SER A 91 9.681 3.190 0.428 1.00 54.15 H new ATOM 0 HA SER A 91 9.809 2.283 3.209 1.00 11.30 H new ATOM 0 HB2 SER A 91 7.221 3.395 2.082 1.00 21.44 H new ATOM 0 HB3 SER A 91 7.588 2.972 3.743 1.00 21.44 H new ATOM 0 HG SER A 91 7.905 5.346 2.524 1.00 43.51 H new ATOM 1275 N ASN A 92 9.005 0.117 2.356 1.00 4.23 N ATOM 1276 CA ASN A 92 8.569 -1.187 1.871 1.00 71.00 C ATOM 1277 C ASN A 92 7.778 -1.930 2.944 1.00 64.12 C ATOM 1278 O ASN A 92 8.286 -2.193 4.035 1.00 75.53 O ATOM 1279 CB ASN A 92 9.775 -2.023 1.440 1.00 50.13 C ATOM 1280 CG ASN A 92 9.385 -3.427 1.018 1.00 52.04 C ATOM 1281 OD1 ASN A 92 9.637 -4.396 1.734 1.00 32.32 O ATOM 1282 ND2 ASN A 92 8.765 -3.542 -0.150 1.00 74.33 N ATOM 0 H ASN A 92 9.590 0.083 3.191 1.00 4.23 H new ATOM 0 HA ASN A 92 7.919 -1.028 1.010 1.00 71.00 H new ATOM 0 HB2 ASN A 92 10.281 -1.526 0.613 1.00 50.13 H new ATOM 0 HB3 ASN A 92 10.488 -2.079 2.263 1.00 50.13 H new ATOM 0 HD21 ASN A 92 8.477 -4.461 -0.486 1.00 74.33 H new ATOM 0 HD22 ASN A 92 8.576 -2.711 -0.711 1.00 74.33 H new ATOM 1288 N TYR A 93 6.532 -2.266 2.626 1.00 51.24 N ATOM 1289 CA TYR A 93 5.670 -2.978 3.563 1.00 33.35 C ATOM 1290 C TYR A 93 5.075 -4.224 2.917 1.00 52.54 C ATOM 1291 O TYR A 93 4.470 -4.154 1.847 1.00 43.22 O ATOM 1292 CB TYR A 93 4.549 -2.060 4.053 1.00 0.31 C ATOM 1293 CG TYR A 93 4.990 -1.081 5.118 1.00 70.33 C ATOM 1294 CD1 TYR A 93 4.948 -1.423 6.464 1.00 50.03 C ATOM 1295 CD2 TYR A 93 5.448 0.187 4.778 1.00 5.23 C ATOM 1296 CE1 TYR A 93 5.349 -0.532 7.440 1.00 55.02 C ATOM 1297 CE2 TYR A 93 5.853 1.083 5.747 1.00 41.22 C ATOM 1298 CZ TYR A 93 5.801 0.721 7.077 1.00 64.23 C ATOM 1299 OH TYR A 93 6.202 1.612 8.045 1.00 51.00 O ATOM 0 H TYR A 93 6.097 -2.057 1.727 1.00 51.24 H new ATOM 0 HA TYR A 93 6.277 -3.287 4.414 1.00 33.35 H new ATOM 0 HB2 TYR A 93 4.148 -1.505 3.205 1.00 0.31 H new ATOM 0 HB3 TYR A 93 3.737 -2.671 4.447 1.00 0.31 H new ATOM 0 HD1 TYR A 93 4.596 -2.402 6.752 1.00 50.03 H new ATOM 0 HD2 TYR A 93 5.488 0.476 3.738 1.00 5.23 H new ATOM 0 HE1 TYR A 93 5.309 -0.814 8.482 1.00 55.02 H new ATOM 0 HE2 TYR A 93 6.209 2.063 5.465 1.00 41.22 H new ATOM 0 HH TYR A 93 6.559 1.121 8.814 1.00 51.00 H new ATOM 1308 N ARG A 94 5.253 -5.366 3.573 1.00 1.15 N ATOM 1309 CA ARG A 94 4.736 -6.630 3.064 1.00 13.51 C ATOM 1310 C ARG A 94 3.334 -6.900 3.601 1.00 21.14 C ATOM 1311 O ARG A 94 3.065 -6.711 4.788 1.00 71.12 O ATOM 1312 CB ARG A 94 5.670 -7.779 3.447 1.00 5.05 C ATOM 1313 CG ARG A 94 7.141 -7.396 3.443 1.00 11.25 C ATOM 1314 CD ARG A 94 7.639 -7.113 2.036 1.00 74.04 C ATOM 1315 NE ARG A 94 8.018 -8.335 1.331 1.00 30.14 N ATOM 1316 CZ ARG A 94 9.067 -9.078 1.663 1.00 45.24 C ATOM 1317 NH1 ARG A 94 9.839 -8.726 2.683 1.00 61.25 N ATOM 1318 NH2 ARG A 94 9.347 -10.178 0.975 1.00 42.11 N ATOM 0 H ARG A 94 5.752 -5.441 4.459 1.00 1.15 H new ATOM 0 HA ARG A 94 4.683 -6.560 1.978 1.00 13.51 H new ATOM 0 HB2 ARG A 94 5.400 -8.140 4.439 1.00 5.05 H new ATOM 0 HB3 ARG A 94 5.517 -8.607 2.754 1.00 5.05 H new ATOM 0 HG2 ARG A 94 7.290 -6.515 4.067 1.00 11.25 H new ATOM 0 HG3 ARG A 94 7.729 -8.201 3.883 1.00 11.25 H new ATOM 0 HD2 ARG A 94 6.861 -6.597 1.473 1.00 74.04 H new ATOM 0 HD3 ARG A 94 8.496 -6.442 2.084 1.00 74.04 H new ATOM 0 HE ARG A 94 7.446 -8.634 0.541 1.00 30.14 H new ATOM 0 HH11 ARG A 94 9.627 -7.882 3.215 1.00 61.25 H new ATOM 0 HH12 ARG A 94 10.644 -9.299 2.935 1.00 61.25 H new ATOM 0 HH21 ARG A 94 8.756 -10.453 0.190 1.00 42.11 H new ATOM 0 HH22 ARG A 94 10.153 -10.748 1.231 1.00 42.11 H new ATOM 1329 N VAL A 95 2.442 -7.340 2.720 1.00 62.44 N ATOM 1330 CA VAL A 95 1.068 -7.637 3.105 1.00 71.43 C ATOM 1331 C VAL A 95 0.717 -9.091 2.817 1.00 61.42 C ATOM 1332 O VAL A 95 0.945 -9.589 1.713 1.00 12.43 O ATOM 1333 CB VAL A 95 0.069 -6.723 2.368 1.00 13.12 C ATOM 1334 CG1 VAL A 95 -1.359 -7.192 2.604 1.00 0.41 C ATOM 1335 CG2 VAL A 95 0.244 -5.278 2.809 1.00 10.11 C ATOM 0 H VAL A 95 2.647 -7.499 1.733 1.00 62.44 H new ATOM 0 HA VAL A 95 0.994 -7.455 4.177 1.00 71.43 H new ATOM 0 HB VAL A 95 0.272 -6.780 1.299 1.00 13.12 H new ATOM 0 HG11 VAL A 95 -2.050 -6.535 2.076 1.00 0.41 H new ATOM 0 HG12 VAL A 95 -1.473 -8.211 2.234 1.00 0.41 H new ATOM 0 HG13 VAL A 95 -1.578 -7.167 3.671 1.00 0.41 H new ATOM 0 HG21 VAL A 95 -0.469 -4.647 2.279 1.00 10.11 H new ATOM 0 HG22 VAL A 95 0.069 -5.201 3.882 1.00 10.11 H new ATOM 0 HG23 VAL A 95 1.258 -4.949 2.583 1.00 10.11 H new ATOM 1345 N ARG A 96 0.160 -9.770 3.814 1.00 33.34 N ATOM 1346 CA ARG A 96 -0.222 -11.168 3.669 1.00 5.35 C ATOM 1347 C ARG A 96 -1.648 -11.398 4.162 1.00 11.13 C ATOM 1348 O ARG A 96 -1.996 -11.024 5.282 1.00 33.11 O ATOM 1349 CB ARG A 96 0.746 -12.067 4.440 1.00 51.01 C ATOM 1350 CG ARG A 96 1.276 -13.234 3.624 1.00 71.14 C ATOM 1351 CD ARG A 96 0.213 -14.303 3.423 1.00 30.50 C ATOM 1352 NE ARG A 96 0.689 -15.398 2.585 1.00 53.54 N ATOM 1353 CZ ARG A 96 0.814 -15.313 1.265 1.00 43.34 C ATOM 1354 NH1 ARG A 96 0.498 -14.188 0.637 1.00 42.42 N ATOM 1355 NH2 ARG A 96 1.254 -16.354 0.569 1.00 52.54 N ATOM 0 H ARG A 96 -0.037 -9.373 4.733 1.00 33.34 H new ATOM 0 HA ARG A 96 -0.177 -11.421 2.610 1.00 5.35 H new ATOM 0 HB2 ARG A 96 1.587 -11.467 4.788 1.00 51.01 H new ATOM 0 HB3 ARG A 96 0.242 -12.454 5.326 1.00 51.01 H new ATOM 0 HG2 ARG A 96 1.620 -12.875 2.654 1.00 71.14 H new ATOM 0 HG3 ARG A 96 2.140 -13.669 4.127 1.00 71.14 H new ATOM 0 HD2 ARG A 96 -0.094 -14.696 4.392 1.00 30.50 H new ATOM 0 HD3 ARG A 96 -0.670 -13.855 2.967 1.00 30.50 H new ATOM 0 HE ARG A 96 0.940 -16.277 3.037 1.00 53.54 H new ATOM 0 HH11 ARG A 96 0.158 -13.386 1.168 1.00 42.42 H new ATOM 0 HH12 ARG A 96 0.595 -14.125 -0.376 1.00 42.42 H new ATOM 0 HH21 ARG A 96 1.497 -17.221 1.047 1.00 52.54 H new ATOM 0 HH22 ARG A 96 1.349 -16.287 -0.444 1.00 52.54 H new ATOM 1366 N VAL A 97 -2.469 -12.013 3.318 1.00 20.32 N ATOM 1367 CA VAL A 97 -3.857 -12.293 3.668 1.00 43.25 C ATOM 1368 C VAL A 97 -3.995 -13.667 4.313 1.00 44.11 C ATOM 1369 O VAL A 97 -3.003 -14.360 4.542 1.00 72.31 O ATOM 1370 CB VAL A 97 -4.771 -12.224 2.431 1.00 21.33 C ATOM 1371 CG1 VAL A 97 -4.633 -10.877 1.738 1.00 12.41 C ATOM 1372 CG2 VAL A 97 -4.458 -13.362 1.472 1.00 70.33 C ATOM 0 H VAL A 97 -2.198 -12.327 2.386 1.00 20.32 H new ATOM 0 HA VAL A 97 -4.165 -11.528 4.381 1.00 43.25 H new ATOM 0 HB VAL A 97 -5.805 -12.331 2.759 1.00 21.33 H new ATOM 0 HG11 VAL A 97 -5.287 -10.848 0.866 1.00 12.41 H new ATOM 0 HG12 VAL A 97 -4.914 -10.082 2.429 1.00 12.41 H new ATOM 0 HG13 VAL A 97 -3.600 -10.735 1.422 1.00 12.41 H new ATOM 0 HG21 VAL A 97 -5.114 -13.297 0.604 1.00 70.33 H new ATOM 0 HG22 VAL A 97 -3.420 -13.290 1.149 1.00 70.33 H new ATOM 0 HG23 VAL A 97 -4.616 -14.316 1.975 1.00 70.33 H new ATOM 1382 N TYR A 98 -5.231 -14.056 4.603 1.00 25.32 N ATOM 1383 CA TYR A 98 -5.500 -15.348 5.223 1.00 3.34 C ATOM 1384 C TYR A 98 -5.371 -16.478 4.206 1.00 1.33 C ATOM 1385 O TYR A 98 -4.377 -17.204 4.193 1.00 54.24 O ATOM 1386 CB TYR A 98 -6.899 -15.360 5.840 1.00 2.41 C ATOM 1387 CG TYR A 98 -7.143 -16.530 6.767 1.00 1.31 C ATOM 1388 CD1 TYR A 98 -6.525 -16.598 8.010 1.00 52.11 C ATOM 1389 CD2 TYR A 98 -7.989 -17.568 6.399 1.00 24.23 C ATOM 1390 CE1 TYR A 98 -6.745 -17.665 8.859 1.00 4.40 C ATOM 1391 CE2 TYR A 98 -8.215 -18.640 7.242 1.00 73.41 C ATOM 1392 CZ TYR A 98 -7.590 -18.683 8.470 1.00 62.15 C ATOM 1393 OH TYR A 98 -7.812 -19.749 9.312 1.00 2.15 O ATOM 0 H TYR A 98 -6.063 -13.495 4.419 1.00 25.32 H new ATOM 0 HA TYR A 98 -4.762 -15.505 6.010 1.00 3.34 H new ATOM 0 HB2 TYR A 98 -7.051 -14.432 6.392 1.00 2.41 H new ATOM 0 HB3 TYR A 98 -7.639 -15.381 5.040 1.00 2.41 H new ATOM 0 HD1 TYR A 98 -5.862 -15.803 8.317 1.00 52.11 H new ATOM 0 HD2 TYR A 98 -8.479 -17.537 5.437 1.00 24.23 H new ATOM 0 HE1 TYR A 98 -6.258 -17.702 9.822 1.00 4.40 H new ATOM 0 HE2 TYR A 98 -8.877 -19.438 6.941 1.00 73.41 H new ATOM 0 HH TYR A 98 -8.433 -20.377 8.888 1.00 2.15 H new ATOM 1402 N GLN A 99 -6.385 -16.621 3.358 1.00 75.12 N ATOM 1403 CA GLN A 99 -6.385 -17.662 2.338 1.00 43.25 C ATOM 1404 C GLN A 99 -5.179 -17.520 1.415 1.00 61.42 C ATOM 1405 O GLN A 99 -4.708 -16.412 1.159 1.00 40.44 O ATOM 1406 CB GLN A 99 -7.677 -17.605 1.521 1.00 20.31 C ATOM 1407 CG GLN A 99 -7.732 -18.625 0.395 1.00 14.13 C ATOM 1408 CD GLN A 99 -7.604 -20.051 0.892 1.00 34.15 C ATOM 1409 OE1 GLN A 99 -8.319 -20.369 1.966 1.00 72.31 O flip ATOM 1410 NE2 GLN A 99 -6.872 -20.857 0.320 1.00 54.31 N flip ATOM 0 H GLN A 99 -7.216 -16.029 3.358 1.00 75.12 H new ATOM 0 HA GLN A 99 -6.323 -18.627 2.840 1.00 43.25 H new ATOM 0 HB2 GLN A 99 -8.525 -17.765 2.187 1.00 20.31 H new ATOM 0 HB3 GLN A 99 -7.787 -16.606 1.100 1.00 20.31 H new ATOM 0 HG2 GLN A 99 -8.673 -18.515 -0.144 1.00 14.13 H new ATOM 0 HG3 GLN A 99 -6.932 -18.419 -0.316 1.00 14.13 H new ATOM 0 HE21 GLN A 99 -6.341 -20.569 -0.502 1.00 54.31 H new ATOM 0 HE22 GLN A 99 -6.796 -21.813 0.667 1.00 54.31 H new ATOM 1417 N ILE A 100 -4.685 -18.649 0.918 1.00 44.45 N ATOM 1418 CA ILE A 100 -3.534 -18.651 0.024 1.00 70.02 C ATOM 1419 C ILE A 100 -3.881 -19.293 -1.317 1.00 14.54 C ATOM 1420 O ILE A 100 -4.841 -20.053 -1.438 1.00 62.23 O ATOM 1421 CB ILE A 100 -2.339 -19.398 0.644 1.00 10.32 C ATOM 1422 CG1 ILE A 100 -2.813 -20.313 1.776 1.00 21.32 C ATOM 1423 CG2 ILE A 100 -1.303 -18.408 1.154 1.00 5.40 C ATOM 1424 CD1 ILE A 100 -1.704 -21.136 2.392 1.00 40.21 C ATOM 0 H ILE A 100 -5.064 -19.574 1.119 1.00 44.45 H new ATOM 0 HA ILE A 100 -3.256 -17.609 -0.135 1.00 70.02 H new ATOM 0 HB ILE A 100 -1.875 -20.015 -0.126 1.00 10.32 H new ATOM 0 HG12 ILE A 100 -3.278 -19.706 2.553 1.00 21.32 H new ATOM 0 HG13 ILE A 100 -3.582 -20.984 1.392 1.00 21.32 H new ATOM 0 HG21 ILE A 100 -0.464 -18.951 1.590 1.00 5.40 H new ATOM 0 HG22 ILE A 100 -0.948 -17.795 0.326 1.00 5.40 H new ATOM 0 HG23 ILE A 100 -1.754 -17.768 1.912 1.00 5.40 H new ATOM 0 HD11 ILE A 100 -2.113 -21.760 3.187 1.00 40.21 H new ATOM 0 HD12 ILE A 100 -1.254 -21.770 1.628 1.00 40.21 H new ATOM 0 HD13 ILE A 100 -0.945 -20.472 2.806 1.00 40.21 H new ATOM 1435 N PRO A 101 -3.079 -18.981 -2.345 1.00 61.31 N ATOM 1436 CA PRO A 101 -3.280 -19.519 -3.695 1.00 54.00 C ATOM 1437 C PRO A 101 -2.970 -21.009 -3.777 1.00 53.14 C ATOM 1438 O PRO A 101 -2.300 -21.563 -2.905 1.00 65.54 O ATOM 1439 CB PRO A 101 -2.289 -18.720 -4.545 1.00 33.14 C ATOM 1440 CG PRO A 101 -1.227 -18.294 -3.592 1.00 2.42 C ATOM 1441 CD PRO A 101 -1.916 -18.082 -2.272 1.00 51.32 C ATOM 0 HA PRO A 101 -4.316 -19.426 -4.021 1.00 54.00 H new ATOM 0 HB2 PRO A 101 -1.877 -19.329 -5.350 1.00 33.14 H new ATOM 0 HB3 PRO A 101 -2.771 -17.860 -5.011 1.00 33.14 H new ATOM 0 HG2 PRO A 101 -0.450 -19.054 -3.509 1.00 2.42 H new ATOM 0 HG3 PRO A 101 -0.743 -17.378 -3.931 1.00 2.42 H new ATOM 0 HD2 PRO A 101 -1.266 -18.334 -1.434 1.00 51.32 H new ATOM 0 HD3 PRO A 101 -2.219 -17.043 -2.139 1.00 51.32 H new