USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 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 22 THR OG1 : rot -26:sc= 0.797 USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -2.16! (180deg=-3.96!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.682 USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= -1.27 (180deg=-2.83!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.454 F(o=-1.3,f=-0.45) USER MOD Single : A 43 LYS NZ :NH3+ -133:sc= -4.34! (180deg=-8.18!) USER MOD Single : A 47 GLN :FLIP amide:sc= -3.59! C(o=-5.7!,f=-3.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -2.07! C(o=-2.9!,f=-2.1!) USER MOD Single : A 80 GLN : amide:sc= 0.0696 K(o=0.07,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 42 N THR A 22 6.371 1.903 -1.608 1.00 0.44 N ATOM 43 CA THR A 22 6.270 2.921 -2.689 1.00 0.40 C ATOM 44 C THR A 22 7.447 3.873 -2.637 1.00 0.59 C ATOM 45 O THR A 22 7.690 4.579 -3.597 1.00 0.67 O ATOM 46 CB THR A 22 4.995 3.679 -2.476 1.00 0.37 C ATOM 47 OG1 THR A 22 5.051 3.940 -1.075 1.00 0.44 O ATOM 48 CG2 THR A 22 3.812 2.737 -2.599 1.00 0.25 C ATOM 0 HA THR A 22 6.276 2.434 -3.664 1.00 0.40 H new ATOM 0 HB THR A 22 4.896 4.525 -3.156 1.00 0.37 H new ATOM 0 HG1 THR A 22 5.598 3.255 -0.636 1.00 0.44 H new ATOM 0 HG21 THR A 22 2.887 3.292 -2.443 1.00 0.25 H new ATOM 0 HG22 THR A 22 3.804 2.290 -3.593 1.00 0.25 H new ATOM 0 HG23 THR A 22 3.894 1.951 -1.849 1.00 0.25 H new ATOM 56 N GLU A 23 8.134 3.901 -1.526 1.00 0.67 N ATOM 57 CA GLU A 23 9.330 4.830 -1.418 1.00 0.79 C ATOM 58 C GLU A 23 10.600 4.117 -0.936 1.00 0.74 C ATOM 59 O GLU A 23 10.506 3.271 -0.070 1.00 0.79 O ATOM 60 CB GLU A 23 9.103 5.959 -0.396 1.00 0.89 C ATOM 61 CG GLU A 23 7.958 6.938 -0.734 1.00 0.78 C ATOM 62 CD GLU A 23 7.908 8.084 0.289 1.00 1.16 C ATOM 63 OE1 GLU A 23 8.986 8.576 0.583 1.00 2.00 O ATOM 64 OE2 GLU A 23 6.818 8.413 0.703 1.00 1.30 O ATOM 0 H GLU A 23 7.936 3.340 -0.698 1.00 0.67 H new ATOM 0 HA GLU A 23 9.450 5.214 -2.431 1.00 0.79 H new ATOM 0 HB2 GLU A 23 8.899 5.510 0.576 1.00 0.89 H new ATOM 0 HB3 GLU A 23 10.027 6.528 -0.297 1.00 0.89 H new ATOM 0 HG2 GLU A 23 8.102 7.343 -1.736 1.00 0.78 H new ATOM 0 HG3 GLU A 23 7.007 6.406 -0.739 1.00 0.78 H new ATOM 71 N TRP A 24 11.744 4.468 -1.469 1.00 0.64 N ATOM 72 CA TRP A 24 12.996 3.775 -1.008 1.00 0.60 C ATOM 73 C TRP A 24 14.165 4.635 -0.426 1.00 0.56 C ATOM 74 O TRP A 24 15.234 4.736 -1.006 1.00 0.45 O ATOM 75 CB TRP A 24 13.429 2.946 -2.220 1.00 0.53 C ATOM 76 CG TRP A 24 12.425 1.821 -2.538 1.00 0.49 C ATOM 77 CD1 TRP A 24 12.542 0.561 -2.040 1.00 0.50 C ATOM 78 CD2 TRP A 24 11.293 1.899 -3.299 1.00 0.45 C ATOM 79 NE1 TRP A 24 11.478 -0.046 -2.523 1.00 0.46 N ATOM 80 CE2 TRP A 24 10.678 0.670 -3.277 1.00 0.44 C ATOM 81 CE3 TRP A 24 10.698 2.913 -4.034 1.00 0.44 C ATOM 82 CZ2 TRP A 24 9.507 0.426 -3.942 1.00 0.43 C ATOM 83 CZ3 TRP A 24 9.497 2.671 -4.720 1.00 0.43 C ATOM 84 CH2 TRP A 24 8.911 1.427 -4.662 1.00 0.42 C ATOM 0 H TRP A 24 11.870 5.184 -2.184 1.00 0.64 H new ATOM 0 HA TRP A 24 12.753 3.198 -0.116 1.00 0.60 H new ATOM 0 HB2 TRP A 24 13.530 3.598 -3.088 1.00 0.53 H new ATOM 0 HB3 TRP A 24 14.411 2.513 -2.031 1.00 0.53 H new ATOM 0 HD1 TRP A 24 13.317 0.158 -1.405 1.00 0.50 H new ATOM 0 HE1 TRP A 24 11.285 -1.027 -2.320 1.00 0.46 H new ATOM 0 HE3 TRP A 24 11.158 3.889 -4.079 1.00 0.44 H new ATOM 0 HZ2 TRP A 24 9.054 -0.553 -3.899 1.00 0.43 H new ATOM 0 HZ3 TRP A 24 9.033 3.461 -5.293 1.00 0.43 H new ATOM 0 HH2 TRP A 24 7.983 1.241 -5.183 1.00 0.42 H new ATOM 95 N PRO A 25 13.940 5.231 0.733 1.00 0.66 N ATOM 96 CA PRO A 25 15.032 5.962 1.467 1.00 0.65 C ATOM 97 C PRO A 25 16.259 5.041 1.527 1.00 0.65 C ATOM 98 O PRO A 25 17.384 5.407 1.278 1.00 0.60 O ATOM 99 CB PRO A 25 14.377 6.314 2.828 1.00 0.83 C ATOM 100 CG PRO A 25 13.153 5.351 2.929 1.00 0.92 C ATOM 101 CD PRO A 25 12.649 5.235 1.481 1.00 0.80 C ATOM 0 HA PRO A 25 15.404 6.878 1.009 1.00 0.65 H new ATOM 0 HB2 PRO A 25 15.071 6.162 3.654 1.00 0.83 H new ATOM 0 HB3 PRO A 25 14.065 7.358 2.861 1.00 0.83 H new ATOM 0 HG2 PRO A 25 13.442 4.379 3.330 1.00 0.92 H new ATOM 0 HG3 PRO A 25 12.383 5.752 3.588 1.00 0.92 H new ATOM 0 HD2 PRO A 25 12.073 4.324 1.316 1.00 0.80 H new ATOM 0 HD3 PRO A 25 12.010 6.072 1.198 1.00 0.80 H new ATOM 109 N GLU A 26 15.911 3.838 1.859 1.00 0.73 N ATOM 110 CA GLU A 26 16.797 2.645 2.019 1.00 0.78 C ATOM 111 C GLU A 26 18.004 2.566 1.055 1.00 0.79 C ATOM 112 O GLU A 26 19.135 2.294 1.406 1.00 0.92 O ATOM 113 CB GLU A 26 15.961 1.439 1.782 1.00 0.93 C ATOM 114 CG GLU A 26 14.774 1.302 2.752 1.00 0.69 C ATOM 115 CD GLU A 26 13.803 0.232 2.214 1.00 0.49 C ATOM 116 OE1 GLU A 26 13.668 0.223 0.998 1.00 1.01 O ATOM 117 OE2 GLU A 26 13.208 -0.528 2.964 1.00 1.07 O ATOM 0 H GLU A 26 14.935 3.608 2.047 1.00 0.73 H new ATOM 0 HA GLU A 26 17.219 2.717 3.021 1.00 0.78 H new ATOM 0 HB2 GLU A 26 15.581 1.467 0.761 1.00 0.93 H new ATOM 0 HB3 GLU A 26 16.589 0.552 1.864 1.00 0.93 H new ATOM 0 HG2 GLU A 26 15.129 1.022 3.744 1.00 0.69 H new ATOM 0 HG3 GLU A 26 14.260 2.258 2.855 1.00 0.69 H new ATOM 124 N LEU A 27 17.657 2.827 -0.175 1.00 0.68 N ATOM 125 CA LEU A 27 18.581 2.802 -1.338 1.00 0.56 C ATOM 126 C LEU A 27 19.406 4.050 -1.573 1.00 0.55 C ATOM 127 O LEU A 27 20.344 3.988 -2.345 1.00 0.59 O ATOM 128 CB LEU A 27 17.720 2.497 -2.596 1.00 0.41 C ATOM 129 CG LEU A 27 16.763 1.309 -2.360 1.00 0.59 C ATOM 130 CD1 LEU A 27 15.773 1.143 -3.544 1.00 0.93 C ATOM 131 CD2 LEU A 27 17.617 0.045 -2.225 1.00 1.18 C ATOM 0 H LEU A 27 16.701 3.073 -0.432 1.00 0.68 H new ATOM 0 HA LEU A 27 19.328 2.038 -1.123 1.00 0.56 H new ATOM 0 HB2 LEU A 27 17.142 3.382 -2.865 1.00 0.41 H new ATOM 0 HB3 LEU A 27 18.374 2.275 -3.439 1.00 0.41 H new ATOM 0 HG LEU A 27 16.175 1.486 -1.459 1.00 0.59 H new ATOM 0 HD11 LEU A 27 15.112 0.299 -3.350 1.00 0.93 H new ATOM 0 HD12 LEU A 27 15.180 2.051 -3.652 1.00 0.93 H new ATOM 0 HD13 LEU A 27 16.331 0.963 -4.463 1.00 0.93 H new ATOM 0 HD21 LEU A 27 16.969 -0.815 -2.057 1.00 1.18 H new ATOM 0 HD22 LEU A 27 18.191 -0.106 -3.139 1.00 1.18 H new ATOM 0 HD23 LEU A 27 18.300 0.155 -1.382 1.00 1.18 H new ATOM 143 N VAL A 28 19.097 5.150 -0.952 1.00 0.52 N ATOM 144 CA VAL A 28 19.924 6.365 -1.206 1.00 0.53 C ATOM 145 C VAL A 28 21.400 6.034 -0.876 1.00 0.55 C ATOM 146 O VAL A 28 21.706 5.507 0.176 1.00 0.64 O ATOM 147 CB VAL A 28 19.365 7.489 -0.325 1.00 0.62 C ATOM 148 CG1 VAL A 28 20.149 8.778 -0.614 1.00 0.72 C ATOM 149 CG2 VAL A 28 17.894 7.758 -0.687 1.00 0.59 C ATOM 0 H VAL A 28 18.326 5.264 -0.293 1.00 0.52 H new ATOM 0 HA VAL A 28 19.887 6.686 -2.247 1.00 0.53 H new ATOM 0 HB VAL A 28 19.450 7.194 0.721 1.00 0.62 H new ATOM 0 HG11 VAL A 28 19.762 9.586 0.006 1.00 0.72 H new ATOM 0 HG12 VAL A 28 21.204 8.621 -0.388 1.00 0.72 H new ATOM 0 HG13 VAL A 28 20.039 9.043 -1.666 1.00 0.72 H new ATOM 0 HG21 VAL A 28 17.505 8.558 -0.057 1.00 0.59 H new ATOM 0 HG22 VAL A 28 17.825 8.055 -1.734 1.00 0.59 H new ATOM 0 HG23 VAL A 28 17.309 6.852 -0.527 1.00 0.59 H new ATOM 159 N GLY A 29 22.275 6.353 -1.788 1.00 0.47 N ATOM 160 CA GLY A 29 23.743 6.069 -1.594 1.00 0.53 C ATOM 161 C GLY A 29 24.093 4.623 -2.008 1.00 0.50 C ATOM 162 O GLY A 29 25.216 4.182 -1.856 1.00 0.60 O ATOM 0 H GLY A 29 22.042 6.804 -2.673 1.00 0.47 H new ATOM 0 HA2 GLY A 29 24.333 6.771 -2.183 1.00 0.53 H new ATOM 0 HA3 GLY A 29 24.011 6.226 -0.549 1.00 0.53 H new ATOM 166 N LYS A 30 23.125 3.909 -2.520 1.00 0.41 N ATOM 167 CA LYS A 30 23.337 2.481 -2.962 1.00 0.38 C ATOM 168 C LYS A 30 23.390 2.386 -4.501 1.00 0.35 C ATOM 169 O LYS A 30 23.183 3.395 -5.150 1.00 0.35 O ATOM 170 CB LYS A 30 22.170 1.662 -2.369 1.00 0.40 C ATOM 171 CG LYS A 30 22.181 1.781 -0.801 1.00 0.52 C ATOM 172 CD LYS A 30 23.360 0.987 -0.159 1.00 1.10 C ATOM 173 CE LYS A 30 22.888 -0.394 0.299 1.00 1.36 C ATOM 174 NZ LYS A 30 22.482 -1.183 -0.895 1.00 1.90 N ATOM 0 H LYS A 30 22.175 4.254 -2.657 1.00 0.41 H new ATOM 0 HA LYS A 30 24.290 2.090 -2.607 1.00 0.38 H new ATOM 0 HB2 LYS A 30 21.221 2.025 -2.764 1.00 0.40 H new ATOM 0 HB3 LYS A 30 22.260 0.617 -2.665 1.00 0.40 H new ATOM 0 HG2 LYS A 30 22.256 2.831 -0.518 1.00 0.52 H new ATOM 0 HG3 LYS A 30 21.236 1.410 -0.403 1.00 0.52 H new ATOM 0 HD2 LYS A 30 24.170 0.880 -0.880 1.00 1.10 H new ATOM 0 HD3 LYS A 30 23.760 1.541 0.690 1.00 1.10 H new ATOM 0 HE2 LYS A 30 23.686 -0.906 0.836 1.00 1.36 H new ATOM 0 HE3 LYS A 30 22.050 -0.297 0.990 1.00 1.36 H new ATOM 0 HZ1 LYS A 30 22.567 -2.198 -0.686 1.00 1.90 H new ATOM 0 HZ2 LYS A 30 21.496 -0.961 -1.139 1.00 1.90 H new ATOM 0 HZ3 LYS A 30 23.099 -0.942 -1.697 1.00 1.90 H new ATOM 188 N SER A 31 23.624 1.210 -5.062 1.00 0.34 N ATOM 189 CA SER A 31 23.687 1.167 -6.572 1.00 0.31 C ATOM 190 C SER A 31 22.302 1.111 -7.142 1.00 0.28 C ATOM 191 O SER A 31 21.399 0.462 -6.649 1.00 0.35 O ATOM 192 CB SER A 31 24.436 -0.092 -7.145 1.00 0.34 C ATOM 193 OG SER A 31 23.562 -1.225 -7.086 1.00 0.55 O ATOM 0 H SER A 31 23.767 0.326 -4.574 1.00 0.34 H new ATOM 0 HA SER A 31 24.232 2.068 -6.855 1.00 0.31 H new ATOM 0 HB2 SER A 31 24.746 0.091 -8.174 1.00 0.34 H new ATOM 0 HB3 SER A 31 25.341 -0.285 -6.569 1.00 0.34 H new ATOM 0 HG SER A 31 24.023 -2.013 -7.443 1.00 0.55 H new ATOM 199 N VAL A 32 22.152 1.827 -8.205 1.00 0.19 N ATOM 200 CA VAL A 32 20.824 1.827 -8.837 1.00 0.19 C ATOM 201 C VAL A 32 20.345 0.414 -9.247 1.00 0.11 C ATOM 202 O VAL A 32 19.225 0.080 -8.935 1.00 0.12 O ATOM 203 CB VAL A 32 20.953 2.825 -9.986 1.00 0.28 C ATOM 204 CG1 VAL A 32 21.926 2.377 -11.074 1.00 0.35 C ATOM 205 CG2 VAL A 32 19.543 3.038 -10.505 1.00 0.24 C ATOM 0 H VAL A 32 22.869 2.397 -8.653 1.00 0.19 H new ATOM 0 HA VAL A 32 20.033 2.130 -8.151 1.00 0.19 H new ATOM 0 HB VAL A 32 21.389 3.760 -9.635 1.00 0.28 H new ATOM 0 HG11 VAL A 32 21.968 3.133 -11.858 1.00 0.35 H new ATOM 0 HG12 VAL A 32 22.918 2.245 -10.643 1.00 0.35 H new ATOM 0 HG13 VAL A 32 21.587 1.432 -11.499 1.00 0.35 H new ATOM 0 HG21 VAL A 32 19.563 3.746 -11.334 1.00 0.24 H new ATOM 0 HG22 VAL A 32 19.135 2.088 -10.849 1.00 0.24 H new ATOM 0 HG23 VAL A 32 18.917 3.433 -9.705 1.00 0.24 H new ATOM 215 N GLU A 33 21.122 -0.406 -9.903 1.00 0.13 N ATOM 216 CA GLU A 33 20.603 -1.757 -10.260 1.00 0.24 C ATOM 217 C GLU A 33 20.169 -2.456 -8.973 1.00 0.26 C ATOM 218 O GLU A 33 19.143 -3.109 -8.956 1.00 0.27 O ATOM 219 CB GLU A 33 21.736 -2.463 -11.048 1.00 0.38 C ATOM 220 CG GLU A 33 22.078 -1.587 -12.346 1.00 0.56 C ATOM 221 CD GLU A 33 20.832 -0.977 -13.021 1.00 1.02 C ATOM 222 OE1 GLU A 33 20.309 -0.022 -12.480 1.00 1.63 O ATOM 223 OE2 GLU A 33 20.402 -1.455 -14.055 1.00 1.36 O ATOM 0 H GLU A 33 22.076 -0.204 -10.202 1.00 0.13 H new ATOM 0 HA GLU A 33 19.719 -1.750 -10.898 1.00 0.24 H new ATOM 0 HB2 GLU A 33 22.621 -2.573 -10.421 1.00 0.38 H new ATOM 0 HB3 GLU A 33 21.426 -3.466 -11.340 1.00 0.38 H new ATOM 0 HG2 GLU A 33 22.759 -0.784 -12.064 1.00 0.56 H new ATOM 0 HG3 GLU A 33 22.604 -2.212 -13.068 1.00 0.56 H new ATOM 230 N GLU A 34 20.921 -2.327 -7.913 1.00 0.30 N ATOM 231 CA GLU A 34 20.502 -2.979 -6.640 1.00 0.36 C ATOM 232 C GLU A 34 19.152 -2.316 -6.275 1.00 0.31 C ATOM 233 O GLU A 34 18.180 -2.990 -6.001 1.00 0.34 O ATOM 234 CB GLU A 34 21.578 -2.679 -5.665 1.00 0.49 C ATOM 235 CG GLU A 34 21.183 -3.136 -4.266 1.00 0.44 C ATOM 236 CD GLU A 34 22.177 -2.604 -3.246 1.00 0.89 C ATOM 237 OE1 GLU A 34 22.746 -1.536 -3.449 1.00 2.19 O ATOM 238 OE2 GLU A 34 22.311 -3.319 -2.270 1.00 1.60 O ATOM 0 H GLU A 34 21.796 -1.805 -7.873 1.00 0.30 H new ATOM 0 HA GLU A 34 20.366 -4.060 -6.680 1.00 0.36 H new ATOM 0 HB2 GLU A 34 22.499 -3.177 -5.969 1.00 0.49 H new ATOM 0 HB3 GLU A 34 21.781 -1.608 -5.659 1.00 0.49 H new ATOM 0 HG2 GLU A 34 20.180 -2.781 -4.028 1.00 0.44 H new ATOM 0 HG3 GLU A 34 21.154 -4.225 -4.225 1.00 0.44 H new ATOM 245 N ALA A 35 19.110 -1.009 -6.261 1.00 0.28 N ATOM 246 CA ALA A 35 17.849 -0.294 -5.938 1.00 0.29 C ATOM 247 C ALA A 35 16.705 -0.939 -6.717 1.00 0.28 C ATOM 248 O ALA A 35 15.698 -1.298 -6.153 1.00 0.40 O ATOM 249 CB ALA A 35 18.022 1.178 -6.324 1.00 0.28 C ATOM 0 H ALA A 35 19.906 -0.404 -6.462 1.00 0.28 H new ATOM 0 HA ALA A 35 17.618 -0.356 -4.875 1.00 0.29 H new ATOM 0 HB1 ALA A 35 17.107 1.724 -6.095 1.00 0.28 H new ATOM 0 HB2 ALA A 35 18.851 1.607 -5.761 1.00 0.28 H new ATOM 0 HB3 ALA A 35 18.232 1.252 -7.391 1.00 0.28 H new ATOM 255 N LYS A 36 16.900 -1.070 -7.999 1.00 0.16 N ATOM 256 CA LYS A 36 15.869 -1.691 -8.882 1.00 0.16 C ATOM 257 C LYS A 36 15.513 -3.023 -8.247 1.00 0.16 C ATOM 258 O LYS A 36 14.356 -3.248 -7.973 1.00 0.15 O ATOM 259 CB LYS A 36 16.476 -1.861 -10.286 1.00 0.20 C ATOM 260 CG LYS A 36 16.818 -0.487 -10.890 1.00 0.15 C ATOM 261 CD LYS A 36 16.976 -0.709 -12.394 1.00 0.14 C ATOM 262 CE LYS A 36 17.545 0.525 -13.070 1.00 0.13 C ATOM 263 NZ LYS A 36 18.402 0.123 -14.233 1.00 0.34 N ATOM 0 H LYS A 36 17.746 -0.768 -8.483 1.00 0.16 H new ATOM 0 HA LYS A 36 14.969 -1.086 -8.985 1.00 0.16 H new ATOM 0 HB2 LYS A 36 17.375 -2.475 -10.229 1.00 0.20 H new ATOM 0 HB3 LYS A 36 15.772 -2.385 -10.933 1.00 0.20 H new ATOM 0 HG2 LYS A 36 16.029 0.236 -10.684 1.00 0.15 H new ATOM 0 HG3 LYS A 36 17.736 -0.089 -10.457 1.00 0.15 H new ATOM 0 HD2 LYS A 36 17.632 -1.561 -12.572 1.00 0.14 H new ATOM 0 HD3 LYS A 36 16.009 -0.955 -12.832 1.00 0.14 H new ATOM 0 HE2 LYS A 36 16.735 1.170 -13.410 1.00 0.13 H new ATOM 0 HE3 LYS A 36 18.133 1.102 -12.357 1.00 0.13 H new ATOM 0 HZ1 LYS A 36 19.193 0.791 -14.328 1.00 0.34 H new ATOM 0 HZ2 LYS A 36 18.775 -0.835 -14.075 1.00 0.34 H new ATOM 0 HZ3 LYS A 36 17.833 0.134 -15.104 1.00 0.34 H new ATOM 277 N LYS A 37 16.486 -3.863 -8.031 1.00 0.19 N ATOM 278 CA LYS A 37 16.208 -5.182 -7.399 1.00 0.20 C ATOM 279 C LYS A 37 15.324 -4.967 -6.150 1.00 0.16 C ATOM 280 O LYS A 37 14.313 -5.615 -5.990 1.00 0.18 O ATOM 281 CB LYS A 37 17.552 -5.835 -7.013 1.00 0.25 C ATOM 282 CG LYS A 37 18.366 -6.200 -8.273 1.00 1.60 C ATOM 283 CD LYS A 37 19.765 -6.767 -7.849 1.00 1.50 C ATOM 284 CE LYS A 37 19.684 -8.061 -7.014 1.00 1.21 C ATOM 285 NZ LYS A 37 20.933 -8.148 -6.179 1.00 1.74 N ATOM 0 H LYS A 37 17.464 -3.692 -8.265 1.00 0.19 H new ATOM 0 HA LYS A 37 15.679 -5.838 -8.090 1.00 0.20 H new ATOM 0 HB2 LYS A 37 18.127 -5.152 -6.388 1.00 0.25 H new ATOM 0 HB3 LYS A 37 17.369 -6.731 -6.420 1.00 0.25 H new ATOM 0 HG2 LYS A 37 17.827 -6.939 -8.865 1.00 1.60 H new ATOM 0 HG3 LYS A 37 18.495 -5.320 -8.903 1.00 1.60 H new ATOM 0 HD2 LYS A 37 20.355 -6.960 -8.745 1.00 1.50 H new ATOM 0 HD3 LYS A 37 20.296 -6.008 -7.275 1.00 1.50 H new ATOM 0 HE2 LYS A 37 18.799 -8.050 -6.378 1.00 1.21 H new ATOM 0 HE3 LYS A 37 19.598 -8.931 -7.665 1.00 1.21 H new ATOM 0 HZ1 LYS A 37 20.906 -9.014 -5.603 1.00 1.74 H new ATOM 0 HZ2 LYS A 37 21.766 -8.172 -6.801 1.00 1.74 H new ATOM 0 HZ3 LYS A 37 20.991 -7.319 -5.554 1.00 1.74 H new ATOM 299 N VAL A 38 15.710 -4.053 -5.301 1.00 0.22 N ATOM 300 CA VAL A 38 14.906 -3.783 -4.059 1.00 0.26 C ATOM 301 C VAL A 38 13.476 -3.357 -4.382 1.00 0.27 C ATOM 302 O VAL A 38 12.512 -3.794 -3.783 1.00 0.35 O ATOM 303 CB VAL A 38 15.637 -2.697 -3.259 1.00 0.33 C ATOM 304 CG1 VAL A 38 14.712 -2.163 -2.162 1.00 0.43 C ATOM 305 CG2 VAL A 38 16.879 -3.351 -2.624 1.00 0.40 C ATOM 0 H VAL A 38 16.546 -3.478 -5.408 1.00 0.22 H new ATOM 0 HA VAL A 38 14.822 -4.699 -3.474 1.00 0.26 H new ATOM 0 HB VAL A 38 15.928 -1.867 -3.902 1.00 0.33 H new ATOM 0 HG11 VAL A 38 15.230 -1.391 -1.593 1.00 0.43 H new ATOM 0 HG12 VAL A 38 13.816 -1.739 -2.616 1.00 0.43 H new ATOM 0 HG13 VAL A 38 14.430 -2.978 -1.495 1.00 0.43 H new ATOM 0 HG21 VAL A 38 17.426 -2.607 -2.045 1.00 0.40 H new ATOM 0 HG22 VAL A 38 16.567 -4.164 -1.968 1.00 0.40 H new ATOM 0 HG23 VAL A 38 17.524 -3.746 -3.409 1.00 0.40 H new ATOM 315 N ILE A 39 13.385 -2.482 -5.330 1.00 0.31 N ATOM 316 CA ILE A 39 12.071 -1.964 -5.773 1.00 0.31 C ATOM 317 C ILE A 39 11.301 -3.166 -6.274 1.00 0.31 C ATOM 318 O ILE A 39 10.167 -3.327 -5.889 1.00 0.48 O ATOM 319 CB ILE A 39 12.474 -0.883 -6.769 1.00 0.29 C ATOM 320 CG1 ILE A 39 12.915 0.243 -5.784 1.00 0.36 C ATOM 321 CG2 ILE A 39 11.285 -0.418 -7.633 1.00 0.26 C ATOM 322 CD1 ILE A 39 13.785 1.301 -6.390 1.00 0.38 C ATOM 0 H ILE A 39 14.185 -2.094 -5.830 1.00 0.31 H new ATOM 0 HA ILE A 39 11.394 -1.506 -5.052 1.00 0.31 H new ATOM 0 HB ILE A 39 13.226 -1.197 -7.493 1.00 0.29 H new ATOM 0 HG12 ILE A 39 12.024 0.717 -5.373 1.00 0.36 H new ATOM 0 HG13 ILE A 39 13.448 -0.212 -4.949 1.00 0.36 H new ATOM 0 HG21 ILE A 39 11.619 0.352 -8.328 1.00 0.26 H new ATOM 0 HG22 ILE A 39 10.889 -1.265 -8.193 1.00 0.26 H new ATOM 0 HG23 ILE A 39 10.504 -0.012 -6.990 1.00 0.26 H new ATOM 0 HD11 ILE A 39 14.041 2.040 -5.631 1.00 0.38 H new ATOM 0 HD12 ILE A 39 14.697 0.845 -6.775 1.00 0.38 H new ATOM 0 HD13 ILE A 39 13.251 1.788 -7.205 1.00 0.38 H new ATOM 334 N LEU A 40 11.877 -3.995 -7.094 1.00 0.21 N ATOM 335 CA LEU A 40 11.114 -5.189 -7.563 1.00 0.22 C ATOM 336 C LEU A 40 10.740 -5.997 -6.297 1.00 0.21 C ATOM 337 O LEU A 40 9.618 -6.441 -6.203 1.00 0.21 O ATOM 338 CB LEU A 40 12.003 -6.023 -8.517 1.00 0.24 C ATOM 339 CG LEU A 40 12.342 -5.232 -9.783 1.00 0.23 C ATOM 340 CD1 LEU A 40 13.063 -6.186 -10.732 1.00 0.28 C ATOM 341 CD2 LEU A 40 11.081 -4.692 -10.479 1.00 0.20 C ATOM 0 H LEU A 40 12.826 -3.904 -7.457 1.00 0.21 H new ATOM 0 HA LEU A 40 10.215 -4.911 -8.113 1.00 0.22 H new ATOM 0 HB2 LEU A 40 12.922 -6.309 -8.006 1.00 0.24 H new ATOM 0 HB3 LEU A 40 11.488 -6.945 -8.787 1.00 0.24 H new ATOM 0 HG LEU A 40 12.959 -4.374 -9.515 1.00 0.23 H new ATOM 0 HD11 LEU A 40 13.323 -5.659 -11.650 1.00 0.28 H new ATOM 0 HD12 LEU A 40 13.971 -6.555 -10.256 1.00 0.28 H new ATOM 0 HD13 LEU A 40 12.410 -7.026 -10.969 1.00 0.28 H new ATOM 0 HD21 LEU A 40 11.368 -4.137 -11.372 1.00 0.20 H new ATOM 0 HD22 LEU A 40 10.436 -5.524 -10.760 1.00 0.20 H new ATOM 0 HD23 LEU A 40 10.544 -4.031 -9.798 1.00 0.20 H new ATOM 353 N GLN A 41 11.659 -6.173 -5.372 1.00 0.21 N ATOM 354 CA GLN A 41 11.388 -6.934 -4.105 1.00 0.18 C ATOM 355 C GLN A 41 10.107 -6.421 -3.404 1.00 0.26 C ATOM 356 O GLN A 41 9.476 -7.136 -2.649 1.00 0.62 O ATOM 357 CB GLN A 41 12.613 -6.796 -3.136 1.00 0.22 C ATOM 358 CG GLN A 41 13.860 -7.593 -3.651 1.00 1.21 C ATOM 359 CD GLN A 41 15.152 -7.307 -2.858 1.00 1.20 C ATOM 360 OE1 GLN A 41 15.196 -6.459 -1.877 1.00 1.61 O flip ATOM 361 NE2 GLN A 41 16.197 -7.861 -3.123 1.00 0.82 N flip ATOM 0 H GLN A 41 12.610 -5.811 -5.445 1.00 0.21 H new ATOM 0 HA GLN A 41 11.236 -7.982 -4.363 1.00 0.18 H new ATOM 0 HB2 GLN A 41 12.874 -5.743 -3.029 1.00 0.22 H new ATOM 0 HB3 GLN A 41 12.335 -7.157 -2.146 1.00 0.22 H new ATOM 0 HG2 GLN A 41 13.643 -8.660 -3.602 1.00 1.21 H new ATOM 0 HG3 GLN A 41 14.027 -7.350 -4.700 1.00 1.21 H new ATOM 0 HE21 GLN A 41 16.236 -8.540 -3.883 1.00 0.82 H new ATOM 0 HE22 GLN A 41 17.038 -7.648 -2.586 1.00 0.82 H new ATOM 370 N ASP A 42 9.775 -5.192 -3.690 1.00 0.33 N ATOM 371 CA ASP A 42 8.565 -4.554 -3.094 1.00 0.36 C ATOM 372 C ASP A 42 7.350 -4.485 -4.005 1.00 0.31 C ATOM 373 O ASP A 42 6.237 -4.831 -3.644 1.00 0.31 O ATOM 374 CB ASP A 42 8.949 -3.133 -2.676 1.00 0.42 C ATOM 375 CG ASP A 42 8.816 -2.981 -1.205 1.00 1.07 C ATOM 376 OD1 ASP A 42 7.850 -3.517 -0.690 1.00 2.05 O ATOM 377 OD2 ASP A 42 9.688 -2.317 -0.695 1.00 0.75 O ATOM 0 H ASP A 42 10.301 -4.591 -4.324 1.00 0.33 H new ATOM 0 HA ASP A 42 8.262 -5.184 -2.258 1.00 0.36 H new ATOM 0 HB2 ASP A 42 9.974 -2.920 -2.980 1.00 0.42 H new ATOM 0 HB3 ASP A 42 8.309 -2.411 -3.183 1.00 0.42 H new ATOM 382 N LYS A 43 7.665 -4.008 -5.161 1.00 0.28 N ATOM 383 CA LYS A 43 6.736 -3.799 -6.275 1.00 0.29 C ATOM 384 C LYS A 43 7.308 -4.580 -7.490 1.00 0.27 C ATOM 385 O LYS A 43 7.907 -3.999 -8.371 1.00 0.23 O ATOM 386 CB LYS A 43 6.696 -2.272 -6.428 1.00 0.24 C ATOM 387 CG LYS A 43 5.758 -1.934 -7.566 1.00 0.16 C ATOM 388 CD LYS A 43 5.650 -0.388 -7.735 1.00 0.18 C ATOM 389 CE LYS A 43 5.297 -0.042 -9.169 1.00 0.38 C ATOM 390 NZ LYS A 43 4.462 -1.139 -9.780 1.00 0.67 N ATOM 0 H LYS A 43 8.620 -3.732 -5.390 1.00 0.28 H new ATOM 0 HA LYS A 43 5.717 -4.164 -6.148 1.00 0.29 H new ATOM 0 HB2 LYS A 43 6.355 -1.806 -5.503 1.00 0.24 H new ATOM 0 HB3 LYS A 43 7.694 -1.884 -6.631 1.00 0.24 H new ATOM 0 HG2 LYS A 43 6.120 -2.384 -8.491 1.00 0.16 H new ATOM 0 HG3 LYS A 43 4.772 -2.355 -7.371 1.00 0.16 H new ATOM 0 HD2 LYS A 43 4.890 0.007 -7.060 1.00 0.18 H new ATOM 0 HD3 LYS A 43 6.595 0.082 -7.462 1.00 0.18 H new ATOM 0 HE2 LYS A 43 4.750 0.901 -9.199 1.00 0.38 H new ATOM 0 HE3 LYS A 43 6.208 0.099 -9.751 1.00 0.38 H new ATOM 0 HZ1 LYS A 43 4.837 -1.378 -10.720 1.00 0.67 H new ATOM 0 HZ2 LYS A 43 4.495 -1.981 -9.170 1.00 0.67 H new ATOM 0 HZ3 LYS A 43 3.478 -0.816 -9.871 1.00 0.67 H new ATOM 404 N PRO A 44 7.119 -5.880 -7.512 1.00 0.32 N ATOM 405 CA PRO A 44 7.609 -6.751 -8.623 1.00 0.41 C ATOM 406 C PRO A 44 7.135 -6.199 -9.967 1.00 0.62 C ATOM 407 O PRO A 44 7.808 -6.274 -10.970 1.00 0.78 O ATOM 408 CB PRO A 44 7.058 -8.136 -8.247 1.00 0.36 C ATOM 409 CG PRO A 44 7.036 -8.062 -6.700 1.00 0.21 C ATOM 410 CD PRO A 44 6.427 -6.680 -6.471 1.00 0.31 C ATOM 0 HA PRO A 44 8.692 -6.798 -8.741 1.00 0.41 H new ATOM 0 HB2 PRO A 44 6.065 -8.307 -8.662 1.00 0.36 H new ATOM 0 HB3 PRO A 44 7.697 -8.942 -8.608 1.00 0.36 H new ATOM 0 HG2 PRO A 44 6.431 -8.855 -6.260 1.00 0.21 H new ATOM 0 HG3 PRO A 44 8.034 -8.147 -6.271 1.00 0.21 H new ATOM 0 HD2 PRO A 44 5.345 -6.680 -6.605 1.00 0.31 H new ATOM 0 HD3 PRO A 44 6.624 -6.305 -5.466 1.00 0.31 H new ATOM 418 N GLU A 45 5.970 -5.628 -9.896 1.00 0.68 N ATOM 419 CA GLU A 45 5.305 -5.024 -11.069 1.00 0.90 C ATOM 420 C GLU A 45 5.864 -3.610 -11.298 1.00 0.91 C ATOM 421 O GLU A 45 5.241 -2.776 -11.930 1.00 1.46 O ATOM 422 CB GLU A 45 3.787 -5.023 -10.762 1.00 1.03 C ATOM 423 CG GLU A 45 3.297 -6.473 -10.373 1.00 0.91 C ATOM 424 CD GLU A 45 3.719 -7.519 -11.402 1.00 2.23 C ATOM 425 OE1 GLU A 45 3.220 -7.419 -12.508 1.00 2.95 O ATOM 426 OE2 GLU A 45 4.519 -8.341 -10.995 1.00 3.44 O ATOM 0 H GLU A 45 5.432 -5.555 -9.032 1.00 0.68 H new ATOM 0 HA GLU A 45 5.486 -5.581 -11.988 1.00 0.90 H new ATOM 0 HB2 GLU A 45 3.576 -4.331 -9.947 1.00 1.03 H new ATOM 0 HB3 GLU A 45 3.235 -4.668 -11.632 1.00 1.03 H new ATOM 0 HG2 GLU A 45 3.701 -6.742 -9.397 1.00 0.91 H new ATOM 0 HG3 GLU A 45 2.211 -6.475 -10.280 1.00 0.91 H new ATOM 433 N ALA A 46 7.013 -3.328 -10.750 1.00 0.35 N ATOM 434 CA ALA A 46 7.628 -2.000 -10.942 1.00 0.33 C ATOM 435 C ALA A 46 8.413 -1.867 -12.268 1.00 0.27 C ATOM 436 O ALA A 46 9.341 -2.594 -12.559 1.00 0.29 O ATOM 437 CB ALA A 46 8.579 -1.680 -9.770 1.00 0.25 C ATOM 0 H ALA A 46 7.552 -3.973 -10.172 1.00 0.35 H new ATOM 0 HA ALA A 46 6.801 -1.291 -10.980 1.00 0.33 H new ATOM 0 HB1 ALA A 46 9.027 -0.698 -9.923 1.00 0.25 H new ATOM 0 HB2 ALA A 46 8.018 -1.682 -8.835 1.00 0.25 H new ATOM 0 HB3 ALA A 46 9.365 -2.434 -9.723 1.00 0.25 H new ATOM 443 N GLN A 47 8.002 -0.909 -13.038 1.00 0.22 N ATOM 444 CA GLN A 47 8.582 -0.567 -14.342 1.00 0.20 C ATOM 445 C GLN A 47 9.414 0.648 -13.841 1.00 0.20 C ATOM 446 O GLN A 47 9.124 1.825 -13.894 1.00 0.19 O ATOM 447 CB GLN A 47 7.326 -0.322 -15.240 1.00 0.44 C ATOM 448 CG GLN A 47 7.292 1.051 -15.898 1.00 1.09 C ATOM 449 CD GLN A 47 8.537 1.408 -16.710 1.00 2.19 C ATOM 450 OE1 GLN A 47 9.578 0.645 -16.758 1.00 3.01 O flip ATOM 451 NE2 GLN A 47 8.600 2.436 -17.341 1.00 2.96 N flip ATOM 0 H GLN A 47 7.220 -0.305 -12.783 1.00 0.22 H new ATOM 0 HA GLN A 47 9.207 -1.230 -14.941 1.00 0.20 H new ATOM 0 HB2 GLN A 47 7.293 -1.086 -16.016 1.00 0.44 H new ATOM 0 HB3 GLN A 47 6.429 -0.445 -14.633 1.00 0.44 H new ATOM 0 HG2 GLN A 47 6.422 1.102 -16.553 1.00 1.09 H new ATOM 0 HG3 GLN A 47 7.153 1.805 -15.124 1.00 1.09 H new ATOM 0 HE21 GLN A 47 7.811 3.082 -17.344 1.00 2.96 H new ATOM 0 HE22 GLN A 47 9.443 2.658 -17.871 1.00 2.96 H new ATOM 460 N ILE A 48 10.507 0.222 -13.296 1.00 0.36 N ATOM 461 CA ILE A 48 11.536 1.111 -12.699 1.00 0.34 C ATOM 462 C ILE A 48 12.176 1.931 -13.820 1.00 0.33 C ATOM 463 O ILE A 48 12.651 1.420 -14.814 1.00 0.56 O ATOM 464 CB ILE A 48 12.548 0.183 -11.950 1.00 0.34 C ATOM 465 CG1 ILE A 48 11.703 -0.838 -11.109 1.00 0.46 C ATOM 466 CG2 ILE A 48 13.362 1.026 -10.945 1.00 0.27 C ATOM 467 CD1 ILE A 48 12.565 -1.721 -10.233 1.00 0.24 C ATOM 0 H ILE A 48 10.745 -0.768 -13.236 1.00 0.36 H new ATOM 0 HA ILE A 48 11.130 1.826 -11.984 1.00 0.34 H new ATOM 0 HB ILE A 48 13.210 -0.309 -12.662 1.00 0.34 H new ATOM 0 HG12 ILE A 48 10.996 -0.292 -10.485 1.00 0.46 H new ATOM 0 HG13 ILE A 48 11.117 -1.462 -11.784 1.00 0.46 H new ATOM 0 HG21 ILE A 48 14.069 0.384 -10.420 1.00 0.27 H new ATOM 0 HG22 ILE A 48 13.907 1.804 -11.480 1.00 0.27 H new ATOM 0 HG23 ILE A 48 12.686 1.486 -10.224 1.00 0.27 H new ATOM 0 HD11 ILE A 48 11.931 -2.408 -9.673 1.00 0.24 H new ATOM 0 HD12 ILE A 48 13.255 -2.290 -10.857 1.00 0.24 H new ATOM 0 HD13 ILE A 48 13.131 -1.102 -9.538 1.00 0.24 H new ATOM 479 N ILE A 49 12.165 3.202 -13.593 1.00 0.35 N ATOM 480 CA ILE A 49 12.707 4.232 -14.515 1.00 0.33 C ATOM 481 C ILE A 49 13.824 4.982 -13.831 1.00 0.34 C ATOM 482 O ILE A 49 13.697 5.273 -12.665 1.00 0.38 O ATOM 483 CB ILE A 49 11.550 5.122 -14.851 1.00 0.31 C ATOM 484 CG1 ILE A 49 10.669 4.272 -15.809 1.00 0.27 C ATOM 485 CG2 ILE A 49 12.024 6.540 -15.333 1.00 0.40 C ATOM 486 CD1 ILE A 49 9.960 5.160 -16.773 1.00 0.37 C ATOM 0 H ILE A 49 11.772 3.600 -12.740 1.00 0.35 H new ATOM 0 HA ILE A 49 13.132 3.807 -15.424 1.00 0.33 H new ATOM 0 HB ILE A 49 10.933 5.412 -14.001 1.00 0.31 H new ATOM 0 HG12 ILE A 49 11.290 3.558 -16.349 1.00 0.27 H new ATOM 0 HG13 ILE A 49 9.945 3.694 -15.234 1.00 0.27 H new ATOM 0 HG21 ILE A 49 11.154 7.154 -15.567 1.00 0.40 H new ATOM 0 HG22 ILE A 49 12.604 7.018 -14.543 1.00 0.40 H new ATOM 0 HG23 ILE A 49 12.643 6.433 -16.224 1.00 0.40 H new ATOM 0 HD11 ILE A 49 9.345 4.556 -17.440 1.00 0.37 H new ATOM 0 HD12 ILE A 49 9.325 5.857 -16.226 1.00 0.37 H new ATOM 0 HD13 ILE A 49 10.691 5.718 -17.359 1.00 0.37 H new ATOM 498 N VAL A 50 14.864 5.298 -14.544 1.00 0.52 N ATOM 499 CA VAL A 50 16.004 6.032 -13.951 1.00 0.59 C ATOM 500 C VAL A 50 16.210 7.407 -14.624 1.00 0.66 C ATOM 501 O VAL A 50 16.245 7.494 -15.835 1.00 0.88 O ATOM 502 CB VAL A 50 17.285 5.152 -14.093 1.00 0.77 C ATOM 503 CG1 VAL A 50 18.407 5.745 -13.264 1.00 0.84 C ATOM 504 CG2 VAL A 50 17.055 3.719 -13.592 1.00 0.77 C ATOM 0 H VAL A 50 14.971 5.072 -15.533 1.00 0.52 H new ATOM 0 HA VAL A 50 15.795 6.225 -12.899 1.00 0.59 H new ATOM 0 HB VAL A 50 17.538 5.128 -15.153 1.00 0.77 H new ATOM 0 HG11 VAL A 50 19.300 5.128 -13.366 1.00 0.84 H new ATOM 0 HG12 VAL A 50 18.622 6.755 -13.613 1.00 0.84 H new ATOM 0 HG13 VAL A 50 18.107 5.779 -12.217 1.00 0.84 H new ATOM 0 HG21 VAL A 50 17.972 3.141 -13.709 1.00 0.77 H new ATOM 0 HG22 VAL A 50 16.773 3.742 -12.539 1.00 0.77 H new ATOM 0 HG23 VAL A 50 16.257 3.255 -14.171 1.00 0.77 H new ATOM 514 N LEU A 51 16.333 8.417 -13.811 1.00 0.51 N ATOM 515 CA LEU A 51 16.545 9.832 -14.222 1.00 0.59 C ATOM 516 C LEU A 51 17.461 10.472 -13.149 1.00 0.38 C ATOM 517 O LEU A 51 18.059 9.770 -12.350 1.00 0.37 O ATOM 518 CB LEU A 51 15.179 10.530 -14.248 1.00 0.70 C ATOM 519 CG LEU A 51 14.666 10.764 -12.796 1.00 0.53 C ATOM 520 CD1 LEU A 51 13.899 12.083 -12.743 1.00 0.79 C ATOM 521 CD2 LEU A 51 13.792 9.621 -12.331 1.00 0.57 C ATOM 0 H LEU A 51 16.291 8.304 -12.798 1.00 0.51 H new ATOM 0 HA LEU A 51 17.002 9.917 -15.208 1.00 0.59 H new ATOM 0 HB2 LEU A 51 15.259 11.483 -14.771 1.00 0.70 H new ATOM 0 HB3 LEU A 51 14.463 9.922 -14.801 1.00 0.70 H new ATOM 0 HG LEU A 51 15.522 10.812 -12.123 1.00 0.53 H new ATOM 0 HD11 LEU A 51 13.537 12.253 -11.729 1.00 0.79 H new ATOM 0 HD12 LEU A 51 14.559 12.900 -13.034 1.00 0.79 H new ATOM 0 HD13 LEU A 51 13.052 12.039 -13.428 1.00 0.79 H new ATOM 0 HD21 LEU A 51 13.450 9.815 -11.314 1.00 0.57 H new ATOM 0 HD22 LEU A 51 12.930 9.529 -12.992 1.00 0.57 H new ATOM 0 HD23 LEU A 51 14.365 8.694 -12.351 1.00 0.57 H new ATOM 759 N ASP A 66 2.622 1.635 -11.572 1.00 0.41 N ATOM 760 CA ASP A 66 3.378 0.506 -12.171 1.00 0.29 C ATOM 761 C ASP A 66 4.842 0.959 -12.291 1.00 0.29 C ATOM 762 O ASP A 66 5.742 0.160 -12.203 1.00 0.32 O ATOM 763 CB ASP A 66 2.841 0.189 -13.566 1.00 0.40 C ATOM 764 CG ASP A 66 1.352 0.377 -13.610 1.00 0.69 C ATOM 765 OD1 ASP A 66 0.628 -0.306 -12.924 1.00 1.52 O ATOM 766 OD2 ASP A 66 1.027 1.250 -14.378 1.00 0.82 O ATOM 0 HA ASP A 66 3.281 -0.386 -11.552 1.00 0.29 H new ATOM 0 HB2 ASP A 66 3.317 0.837 -14.302 1.00 0.40 H new ATOM 0 HB3 ASP A 66 3.092 -0.837 -13.835 1.00 0.40 H new ATOM 771 N ARG A 67 5.003 2.248 -12.453 1.00 0.28 N ATOM 772 CA ARG A 67 6.343 2.941 -12.623 1.00 0.37 C ATOM 773 C ARG A 67 7.090 3.513 -11.375 1.00 0.41 C ATOM 774 O ARG A 67 6.487 4.148 -10.539 1.00 0.68 O ATOM 775 CB ARG A 67 6.054 4.047 -13.647 1.00 0.36 C ATOM 776 CG ARG A 67 7.292 4.929 -13.890 1.00 1.43 C ATOM 777 CD ARG A 67 6.976 5.908 -15.025 1.00 1.33 C ATOM 778 NE ARG A 67 5.838 6.802 -14.590 1.00 1.24 N ATOM 779 CZ ARG A 67 4.794 7.053 -15.288 1.00 1.00 C ATOM 780 NH1 ARG A 67 4.900 7.130 -16.550 1.00 0.82 N ATOM 781 NH2 ARG A 67 3.696 7.218 -14.667 1.00 1.70 N ATOM 0 H ARG A 67 4.216 2.896 -12.477 1.00 0.28 H new ATOM 0 HA ARG A 67 7.062 2.177 -12.918 1.00 0.37 H new ATOM 0 HB2 ARG A 67 5.735 3.599 -14.588 1.00 0.36 H new ATOM 0 HB3 ARG A 67 5.229 4.665 -13.293 1.00 0.36 H new ATOM 0 HG2 ARG A 67 7.554 5.473 -12.982 1.00 1.43 H new ATOM 0 HG3 ARG A 67 8.152 4.312 -14.151 1.00 1.43 H new ATOM 0 HD2 ARG A 67 7.856 6.505 -15.265 1.00 1.33 H new ATOM 0 HD3 ARG A 67 6.704 5.363 -15.929 1.00 1.33 H new ATOM 0 HE ARG A 67 5.907 7.239 -13.671 1.00 1.24 H new ATOM 0 HH11 ARG A 67 5.808 6.993 -16.995 1.00 0.82 H new ATOM 0 HH12 ARG A 67 4.078 7.329 -17.120 1.00 0.82 H new ATOM 0 HH21 ARG A 67 3.670 7.149 -13.650 1.00 1.70 H new ATOM 0 HH22 ARG A 67 2.842 7.420 -15.186 1.00 1.70 H new ATOM 795 N VAL A 68 8.383 3.298 -11.279 1.00 0.31 N ATOM 796 CA VAL A 68 9.161 3.845 -10.073 1.00 0.33 C ATOM 797 C VAL A 68 10.293 4.711 -10.600 1.00 0.52 C ATOM 798 O VAL A 68 11.159 4.212 -11.284 1.00 0.78 O ATOM 799 CB VAL A 68 9.765 2.684 -9.173 1.00 0.32 C ATOM 800 CG1 VAL A 68 10.627 3.292 -7.978 1.00 0.40 C ATOM 801 CG2 VAL A 68 8.579 1.948 -8.521 1.00 0.24 C ATOM 0 H VAL A 68 8.940 2.781 -11.959 1.00 0.31 H new ATOM 0 HA VAL A 68 8.476 4.417 -9.447 1.00 0.33 H new ATOM 0 HB VAL A 68 10.387 2.037 -9.791 1.00 0.32 H new ATOM 0 HG11 VAL A 68 11.032 2.481 -7.373 1.00 0.40 H new ATOM 0 HG12 VAL A 68 11.446 3.885 -8.385 1.00 0.40 H new ATOM 0 HG13 VAL A 68 9.993 3.926 -7.358 1.00 0.40 H new ATOM 0 HG21 VAL A 68 8.953 1.140 -7.892 1.00 0.24 H new ATOM 0 HG22 VAL A 68 8.008 2.648 -7.911 1.00 0.24 H new ATOM 0 HG23 VAL A 68 7.936 1.535 -9.298 1.00 0.24 H new ATOM 811 N ARG A 69 10.293 5.967 -10.276 1.00 0.44 N ATOM 812 CA ARG A 69 11.374 6.848 -10.784 1.00 0.57 C ATOM 813 C ARG A 69 12.580 6.649 -9.870 1.00 0.54 C ATOM 814 O ARG A 69 12.452 6.593 -8.658 1.00 0.56 O ATOM 815 CB ARG A 69 10.861 8.292 -10.731 1.00 0.71 C ATOM 816 CG ARG A 69 10.237 8.770 -12.037 1.00 0.73 C ATOM 817 CD ARG A 69 9.921 10.260 -11.816 1.00 0.85 C ATOM 818 NE ARG A 69 11.204 11.045 -11.661 1.00 1.46 N ATOM 819 CZ ARG A 69 11.369 11.907 -10.722 1.00 2.85 C ATOM 820 NH1 ARG A 69 11.711 11.541 -9.549 1.00 3.98 N ATOM 821 NH2 ARG A 69 11.180 13.134 -11.015 1.00 3.34 N ATOM 0 H ARG A 69 9.597 6.421 -9.685 1.00 0.44 H new ATOM 0 HA ARG A 69 11.661 6.619 -11.810 1.00 0.57 H new ATOM 0 HB2 ARG A 69 10.123 8.377 -9.934 1.00 0.71 H new ATOM 0 HB3 ARG A 69 11.688 8.953 -10.471 1.00 0.71 H new ATOM 0 HG2 ARG A 69 10.923 8.633 -12.873 1.00 0.73 H new ATOM 0 HG3 ARG A 69 9.333 8.207 -12.270 1.00 0.73 H new ATOM 0 HD2 ARG A 69 9.348 10.647 -12.659 1.00 0.85 H new ATOM 0 HD3 ARG A 69 9.302 10.381 -10.927 1.00 0.85 H new ATOM 0 HE ARG A 69 11.963 10.885 -12.323 1.00 1.46 H new ATOM 0 HH11 ARG A 69 11.857 10.552 -9.346 1.00 3.98 H new ATOM 0 HH12 ARG A 69 11.838 12.237 -8.814 1.00 3.98 H new ATOM 0 HH21 ARG A 69 10.909 13.396 -11.963 1.00 3.34 H new ATOM 0 HH22 ARG A 69 11.299 13.853 -10.301 1.00 3.34 H new ATOM 835 N LEU A 70 13.714 6.543 -10.484 1.00 0.45 N ATOM 836 CA LEU A 70 14.956 6.351 -9.695 1.00 0.38 C ATOM 837 C LEU A 70 15.761 7.592 -10.005 1.00 0.27 C ATOM 838 O LEU A 70 16.094 7.814 -11.151 1.00 0.39 O ATOM 839 CB LEU A 70 15.691 5.078 -10.165 1.00 0.28 C ATOM 840 CG LEU A 70 15.658 4.087 -8.977 1.00 0.28 C ATOM 841 CD1 LEU A 70 16.051 2.666 -9.380 1.00 0.26 C ATOM 842 CD2 LEU A 70 16.710 4.544 -7.997 1.00 0.32 C ATOM 0 H LEU A 70 13.839 6.580 -11.496 1.00 0.45 H new ATOM 0 HA LEU A 70 14.780 6.222 -8.627 1.00 0.38 H new ATOM 0 HB2 LEU A 70 15.204 4.650 -11.041 1.00 0.28 H new ATOM 0 HB3 LEU A 70 16.718 5.306 -10.451 1.00 0.28 H new ATOM 0 HG LEU A 70 14.643 4.073 -8.580 1.00 0.28 H new ATOM 0 HD11 LEU A 70 16.010 2.015 -8.506 1.00 0.26 H new ATOM 0 HD12 LEU A 70 15.360 2.299 -10.139 1.00 0.26 H new ATOM 0 HD13 LEU A 70 17.064 2.669 -9.783 1.00 0.26 H new ATOM 0 HD21 LEU A 70 16.724 3.872 -7.139 1.00 0.32 H new ATOM 0 HD22 LEU A 70 17.687 4.535 -8.481 1.00 0.32 H new ATOM 0 HD23 LEU A 70 16.481 5.556 -7.662 1.00 0.32 H new ATOM 854 N ALA A 71 16.045 8.340 -8.985 1.00 0.14 N ATOM 855 CA ALA A 71 16.827 9.585 -9.170 1.00 0.05 C ATOM 856 C ALA A 71 18.277 9.221 -8.741 1.00 0.07 C ATOM 857 O ALA A 71 18.612 9.236 -7.570 1.00 0.07 O ATOM 858 CB ALA A 71 16.170 10.646 -8.268 1.00 0.13 C ATOM 0 H ALA A 71 15.767 8.142 -8.024 1.00 0.14 H new ATOM 0 HA ALA A 71 16.850 9.981 -10.185 1.00 0.05 H new ATOM 0 HB1 ALA A 71 16.708 11.589 -8.364 1.00 0.13 H new ATOM 0 HB2 ALA A 71 15.132 10.788 -8.569 1.00 0.13 H new ATOM 0 HB3 ALA A 71 16.204 10.313 -7.231 1.00 0.13 H new ATOM 864 N VAL A 72 19.096 8.903 -9.698 1.00 0.15 N ATOM 865 CA VAL A 72 20.531 8.521 -9.447 1.00 0.21 C ATOM 866 C VAL A 72 21.426 9.663 -9.873 1.00 0.23 C ATOM 867 O VAL A 72 20.960 10.574 -10.528 1.00 0.23 O ATOM 868 CB VAL A 72 20.940 7.318 -10.288 1.00 0.21 C ATOM 869 CG1 VAL A 72 20.240 6.103 -9.818 1.00 0.20 C ATOM 870 CG2 VAL A 72 20.477 7.520 -11.721 1.00 0.21 C ATOM 0 H VAL A 72 18.830 8.888 -10.683 1.00 0.15 H new ATOM 0 HA VAL A 72 20.629 8.288 -8.387 1.00 0.21 H new ATOM 0 HB VAL A 72 22.022 7.214 -10.212 1.00 0.21 H new ATOM 0 HG11 VAL A 72 20.541 5.251 -10.427 1.00 0.20 H new ATOM 0 HG12 VAL A 72 20.499 5.914 -8.776 1.00 0.20 H new ATOM 0 HG13 VAL A 72 19.163 6.248 -9.903 1.00 0.20 H new ATOM 0 HG21 VAL A 72 20.770 6.659 -12.323 1.00 0.21 H new ATOM 0 HG22 VAL A 72 19.392 7.625 -11.741 1.00 0.21 H new ATOM 0 HG23 VAL A 72 20.937 8.421 -12.128 1.00 0.21 H new ATOM 880 N ASP A 73 22.676 9.606 -9.517 1.00 0.24 N ATOM 881 CA ASP A 73 23.560 10.727 -9.942 1.00 0.20 C ATOM 882 C ASP A 73 24.277 10.294 -11.245 1.00 0.14 C ATOM 883 O ASP A 73 23.731 9.624 -12.102 1.00 0.12 O ATOM 884 CB ASP A 73 24.528 10.968 -8.778 1.00 0.24 C ATOM 885 CG ASP A 73 25.607 9.904 -8.806 1.00 0.35 C ATOM 886 OD1 ASP A 73 25.257 8.738 -8.882 1.00 1.07 O ATOM 887 OD2 ASP A 73 26.733 10.369 -8.778 1.00 1.38 O ATOM 0 H ASP A 73 23.114 8.864 -8.971 1.00 0.24 H new ATOM 0 HA ASP A 73 23.029 11.654 -10.158 1.00 0.20 H new ATOM 0 HB2 ASP A 73 24.974 11.959 -8.858 1.00 0.24 H new ATOM 0 HB3 ASP A 73 23.992 10.936 -7.830 1.00 0.24 H new ATOM 892 N LYS A 74 25.492 10.743 -11.355 1.00 0.15 N ATOM 893 CA LYS A 74 26.344 10.435 -12.509 1.00 0.15 C ATOM 894 C LYS A 74 27.089 9.111 -12.323 1.00 0.16 C ATOM 895 O LYS A 74 27.641 8.584 -13.262 1.00 0.23 O ATOM 896 CB LYS A 74 27.346 11.580 -12.706 1.00 0.20 C ATOM 897 CG LYS A 74 26.583 12.886 -12.997 1.00 0.59 C ATOM 898 CD LYS A 74 26.352 13.687 -11.698 1.00 0.46 C ATOM 899 CE LYS A 74 25.770 15.031 -12.074 1.00 0.95 C ATOM 900 NZ LYS A 74 25.769 15.876 -10.835 1.00 2.06 N ATOM 0 H LYS A 74 25.939 11.336 -10.656 1.00 0.15 H new ATOM 0 HA LYS A 74 25.712 10.332 -13.391 1.00 0.15 H new ATOM 0 HB2 LYS A 74 27.961 11.697 -11.814 1.00 0.20 H new ATOM 0 HB3 LYS A 74 28.021 11.349 -13.530 1.00 0.20 H new ATOM 0 HG2 LYS A 74 27.146 13.491 -13.707 1.00 0.59 H new ATOM 0 HG3 LYS A 74 25.625 12.657 -13.463 1.00 0.59 H new ATOM 0 HD2 LYS A 74 25.674 13.150 -11.035 1.00 0.46 H new ATOM 0 HD3 LYS A 74 27.290 13.816 -11.158 1.00 0.46 H new ATOM 0 HE2 LYS A 74 26.362 15.501 -12.859 1.00 0.95 H new ATOM 0 HE3 LYS A 74 24.758 14.917 -12.463 1.00 0.95 H new ATOM 0 HZ1 LYS A 74 25.374 16.813 -11.054 1.00 2.06 H new ATOM 0 HZ2 LYS A 74 25.189 15.418 -10.103 1.00 2.06 H new ATOM 0 HZ3 LYS A 74 26.743 15.984 -10.488 1.00 2.06 H new ATOM 914 N LEU A 75 27.082 8.612 -11.124 1.00 0.16 N ATOM 915 CA LEU A 75 27.775 7.336 -10.762 1.00 0.20 C ATOM 916 C LEU A 75 26.724 6.298 -10.343 1.00 0.19 C ATOM 917 O LEU A 75 26.826 5.646 -9.319 1.00 0.18 O ATOM 918 CB LEU A 75 28.720 7.693 -9.627 1.00 0.32 C ATOM 919 CG LEU A 75 29.601 8.909 -9.933 1.00 0.38 C ATOM 920 CD1 LEU A 75 30.248 9.294 -8.604 1.00 0.49 C ATOM 921 CD2 LEU A 75 30.667 8.524 -10.958 1.00 0.43 C ATOM 0 H LEU A 75 26.603 9.054 -10.339 1.00 0.16 H new ATOM 0 HA LEU A 75 28.334 6.898 -11.589 1.00 0.20 H new ATOM 0 HB2 LEU A 75 28.138 7.892 -8.727 1.00 0.32 H new ATOM 0 HB3 LEU A 75 29.358 6.836 -9.411 1.00 0.32 H new ATOM 0 HG LEU A 75 29.030 9.738 -10.350 1.00 0.38 H new ATOM 0 HD11 LEU A 75 30.894 10.160 -8.751 1.00 0.49 H new ATOM 0 HD12 LEU A 75 29.472 9.539 -7.879 1.00 0.49 H new ATOM 0 HD13 LEU A 75 30.841 8.458 -8.232 1.00 0.49 H new ATOM 0 HD21 LEU A 75 31.293 9.390 -11.175 1.00 0.43 H new ATOM 0 HD22 LEU A 75 31.285 7.721 -10.556 1.00 0.43 H new ATOM 0 HD23 LEU A 75 30.185 8.186 -11.875 1.00 0.43 H new ATOM 933 N ASP A 76 25.747 6.254 -11.200 1.00 0.22 N ATOM 934 CA ASP A 76 24.568 5.341 -11.082 1.00 0.21 C ATOM 935 C ASP A 76 24.195 4.854 -9.647 1.00 0.22 C ATOM 936 O ASP A 76 23.813 3.725 -9.396 1.00 0.22 O ATOM 937 CB ASP A 76 24.822 4.128 -12.123 1.00 0.20 C ATOM 938 CG ASP A 76 26.243 3.571 -12.298 1.00 0.34 C ATOM 939 OD1 ASP A 76 27.040 3.677 -11.387 1.00 1.39 O ATOM 940 OD2 ASP A 76 26.448 3.041 -13.373 1.00 1.66 O ATOM 0 H ASP A 76 25.714 6.849 -12.028 1.00 0.22 H new ATOM 0 HA ASP A 76 23.674 5.912 -11.332 1.00 0.21 H new ATOM 0 HB2 ASP A 76 24.180 3.300 -11.823 1.00 0.20 H new ATOM 0 HB3 ASP A 76 24.477 4.460 -13.102 1.00 0.20 H new ATOM 945 N ASN A 77 24.323 5.772 -8.716 1.00 0.22 N ATOM 946 CA ASN A 77 23.986 5.470 -7.296 1.00 0.21 C ATOM 947 C ASN A 77 22.802 6.408 -7.001 1.00 0.22 C ATOM 948 O ASN A 77 22.689 7.492 -7.555 1.00 0.27 O ATOM 949 CB ASN A 77 25.236 5.732 -6.360 1.00 0.39 C ATOM 950 CG ASN A 77 25.888 7.117 -6.364 1.00 0.49 C ATOM 951 OD1 ASN A 77 26.856 7.338 -7.176 1.00 1.27 O flip ATOM 952 ND2 ASN A 77 25.542 8.013 -5.629 1.00 0.34 N flip ATOM 0 H ASN A 77 24.649 6.723 -8.886 1.00 0.22 H new ATOM 0 HA ASN A 77 23.723 4.428 -7.115 1.00 0.21 H new ATOM 0 HB2 ASN A 77 24.932 5.514 -5.336 1.00 0.39 H new ATOM 0 HB3 ASN A 77 26.004 5.006 -6.626 1.00 0.39 H new ATOM 0 HD21 ASN A 77 24.775 7.867 -4.973 1.00 0.34 H new ATOM 0 HD22 ASN A 77 26.017 8.915 -5.666 1.00 0.34 H new ATOM 959 N ILE A 78 21.967 5.917 -6.133 1.00 0.21 N ATOM 960 CA ILE A 78 20.746 6.675 -5.738 1.00 0.25 C ATOM 961 C ILE A 78 21.039 7.979 -5.043 1.00 0.21 C ATOM 962 O ILE A 78 21.538 8.015 -3.939 1.00 0.32 O ATOM 963 CB ILE A 78 19.870 5.735 -4.840 1.00 0.30 C ATOM 964 CG1 ILE A 78 19.545 4.365 -5.512 1.00 0.27 C ATOM 965 CG2 ILE A 78 18.484 6.405 -4.520 1.00 0.39 C ATOM 966 CD1 ILE A 78 19.572 4.507 -7.028 1.00 0.27 C ATOM 0 H ILE A 78 22.078 5.013 -5.674 1.00 0.21 H new ATOM 0 HA ILE A 78 20.211 6.961 -6.643 1.00 0.25 H new ATOM 0 HB ILE A 78 20.466 5.569 -3.942 1.00 0.30 H new ATOM 0 HG12 ILE A 78 20.270 3.615 -5.196 1.00 0.27 H new ATOM 0 HG13 ILE A 78 18.564 4.016 -5.189 1.00 0.27 H new ATOM 0 HG21 ILE A 78 17.892 5.736 -3.896 1.00 0.39 H new ATOM 0 HG22 ILE A 78 18.647 7.344 -3.992 1.00 0.39 H new ATOM 0 HG23 ILE A 78 17.951 6.600 -5.450 1.00 0.39 H new ATOM 0 HD11 ILE A 78 19.344 3.545 -7.488 1.00 0.27 H new ATOM 0 HD12 ILE A 78 18.830 5.242 -7.338 1.00 0.27 H new ATOM 0 HD13 ILE A 78 20.562 4.835 -7.345 1.00 0.27 H new ATOM 978 N ALA A 79 20.690 8.998 -5.771 1.00 0.12 N ATOM 979 CA ALA A 79 20.865 10.407 -5.326 1.00 0.05 C ATOM 980 C ALA A 79 19.687 10.697 -4.386 1.00 0.13 C ATOM 981 O ALA A 79 19.812 11.324 -3.352 1.00 0.14 O ATOM 982 CB ALA A 79 20.844 11.271 -6.600 1.00 0.15 C ATOM 0 H ALA A 79 20.272 8.908 -6.697 1.00 0.12 H new ATOM 0 HA ALA A 79 21.795 10.610 -4.794 1.00 0.05 H new ATOM 0 HB1 ALA A 79 20.969 12.320 -6.331 1.00 0.15 H new ATOM 0 HB2 ALA A 79 21.657 10.966 -7.260 1.00 0.15 H new ATOM 0 HB3 ALA A 79 19.891 11.139 -7.113 1.00 0.15 H new ATOM 988 N GLN A 80 18.550 10.218 -4.803 1.00 0.19 N ATOM 989 CA GLN A 80 17.326 10.426 -3.973 1.00 0.28 C ATOM 990 C GLN A 80 16.425 9.242 -3.753 1.00 0.39 C ATOM 991 O GLN A 80 16.457 8.267 -4.465 1.00 0.35 O ATOM 992 CB GLN A 80 16.450 11.523 -4.562 1.00 0.38 C ATOM 993 CG GLN A 80 16.210 12.610 -3.464 1.00 0.40 C ATOM 994 CD GLN A 80 14.804 13.161 -3.627 1.00 1.46 C ATOM 995 OE1 GLN A 80 13.838 12.571 -3.183 1.00 2.77 O ATOM 996 NE2 GLN A 80 14.627 14.274 -4.250 1.00 1.29 N ATOM 0 H GLN A 80 18.412 9.698 -5.670 1.00 0.19 H new ATOM 0 HA GLN A 80 17.758 10.677 -3.004 1.00 0.28 H new ATOM 0 HB2 GLN A 80 16.932 11.965 -5.434 1.00 0.38 H new ATOM 0 HB3 GLN A 80 15.500 11.109 -4.899 1.00 0.38 H new ATOM 0 HG2 GLN A 80 16.334 12.178 -2.471 1.00 0.40 H new ATOM 0 HG3 GLN A 80 16.943 13.411 -3.558 1.00 0.40 H new ATOM 0 HE21 GLN A 80 15.428 14.780 -4.628 1.00 1.29 H new ATOM 0 HE22 GLN A 80 13.686 14.650 -4.366 1.00 1.29 H new ATOM 1005 N VAL A 81 15.625 9.416 -2.745 1.00 0.54 N ATOM 1006 CA VAL A 81 14.643 8.379 -2.345 1.00 0.68 C ATOM 1007 C VAL A 81 13.760 8.113 -3.581 1.00 0.68 C ATOM 1008 O VAL A 81 12.910 8.939 -3.879 1.00 0.76 O ATOM 1009 CB VAL A 81 13.820 8.934 -1.200 1.00 0.82 C ATOM 1010 CG1 VAL A 81 12.777 7.891 -0.760 1.00 0.84 C ATOM 1011 CG2 VAL A 81 14.688 9.469 -0.055 1.00 0.77 C ATOM 0 H VAL A 81 15.611 10.256 -2.167 1.00 0.54 H new ATOM 0 HA VAL A 81 15.114 7.452 -2.017 1.00 0.68 H new ATOM 0 HB VAL A 81 13.275 9.811 -1.550 1.00 0.82 H new ATOM 0 HG11 VAL A 81 12.186 8.292 0.064 1.00 0.84 H new ATOM 0 HG12 VAL A 81 12.120 7.658 -1.598 1.00 0.84 H new ATOM 0 HG13 VAL A 81 13.285 6.984 -0.434 1.00 0.84 H new ATOM 0 HG21 VAL A 81 14.047 9.854 0.738 1.00 0.77 H new ATOM 0 HG22 VAL A 81 15.308 8.663 0.339 1.00 0.77 H new ATOM 0 HG23 VAL A 81 15.327 10.270 -0.427 1.00 0.77 H new ATOM 1021 N PRO A 82 13.954 7.023 -4.281 1.00 0.61 N ATOM 1022 CA PRO A 82 13.264 6.828 -5.574 1.00 0.56 C ATOM 1023 C PRO A 82 11.811 6.489 -5.135 1.00 0.54 C ATOM 1024 O PRO A 82 11.596 5.931 -4.065 1.00 0.55 O ATOM 1025 CB PRO A 82 14.169 5.746 -6.184 1.00 0.54 C ATOM 1026 CG PRO A 82 14.503 4.851 -4.998 1.00 0.57 C ATOM 1027 CD PRO A 82 14.817 5.871 -3.910 1.00 0.59 C ATOM 0 HA PRO A 82 13.144 7.609 -6.325 1.00 0.56 H new ATOM 0 HB2 PRO A 82 13.658 5.193 -6.972 1.00 0.54 H new ATOM 0 HB3 PRO A 82 15.067 6.177 -6.627 1.00 0.54 H new ATOM 0 HG2 PRO A 82 13.667 4.207 -4.725 1.00 0.57 H new ATOM 0 HG3 PRO A 82 15.353 4.200 -5.205 1.00 0.57 H new ATOM 0 HD2 PRO A 82 14.578 5.490 -2.917 1.00 0.59 H new ATOM 0 HD3 PRO A 82 15.873 6.142 -3.902 1.00 0.59 H new ATOM 1035 N ARG A 83 10.861 6.848 -5.956 1.00 0.51 N ATOM 1036 CA ARG A 83 9.416 6.595 -5.627 1.00 0.48 C ATOM 1037 C ARG A 83 8.527 6.177 -6.787 1.00 0.41 C ATOM 1038 O ARG A 83 8.879 6.363 -7.940 1.00 0.41 O ATOM 1039 CB ARG A 83 8.841 7.886 -5.009 1.00 0.70 C ATOM 1040 CG ARG A 83 9.681 8.234 -3.792 1.00 1.21 C ATOM 1041 CD ARG A 83 9.132 9.429 -3.075 1.00 1.44 C ATOM 1042 NE ARG A 83 9.871 9.368 -1.779 1.00 2.28 N ATOM 1043 CZ ARG A 83 10.755 10.219 -1.454 1.00 2.95 C ATOM 1044 NH1 ARG A 83 11.543 10.587 -2.389 1.00 3.06 N ATOM 1045 NH2 ARG A 83 10.735 10.586 -0.239 1.00 3.78 N ATOM 0 H ARG A 83 11.020 7.311 -6.851 1.00 0.51 H new ATOM 0 HA ARG A 83 9.412 5.742 -4.948 1.00 0.48 H new ATOM 0 HB2 ARG A 83 8.864 8.700 -5.734 1.00 0.70 H new ATOM 0 HB3 ARG A 83 7.799 7.742 -4.725 1.00 0.70 H new ATOM 0 HG2 ARG A 83 9.711 7.382 -3.113 1.00 1.21 H new ATOM 0 HG3 ARG A 83 10.707 8.432 -4.101 1.00 1.21 H new ATOM 0 HD2 ARG A 83 9.327 10.356 -3.615 1.00 1.44 H new ATOM 0 HD3 ARG A 83 8.053 9.363 -2.935 1.00 1.44 H new ATOM 0 HE ARG A 83 9.657 8.612 -1.129 1.00 2.28 H new ATOM 0 HH11 ARG A 83 11.438 10.199 -3.327 1.00 3.06 H new ATOM 0 HH12 ARG A 83 12.277 11.269 -2.198 1.00 3.06 H new ATOM 0 HH21 ARG A 83 10.040 10.199 0.399 1.00 3.78 H new ATOM 0 HH22 ARG A 83 11.414 11.268 0.099 1.00 3.78 H new ATOM 1059 N VAL A 84 7.394 5.638 -6.415 1.00 0.46 N ATOM 1060 CA VAL A 84 6.446 5.201 -7.483 1.00 0.54 C ATOM 1061 C VAL A 84 5.701 6.441 -7.984 1.00 1.16 C ATOM 1062 O VAL A 84 5.011 7.164 -7.290 1.00 2.82 O ATOM 1063 CB VAL A 84 5.347 4.316 -7.031 1.00 0.26 C ATOM 1064 CG1 VAL A 84 4.590 3.802 -8.264 1.00 0.45 C ATOM 1065 CG2 VAL A 84 5.808 3.130 -6.215 1.00 0.24 C ATOM 0 H VAL A 84 7.091 5.485 -5.453 1.00 0.46 H new ATOM 0 HA VAL A 84 7.066 4.673 -8.207 1.00 0.54 H new ATOM 0 HB VAL A 84 4.712 4.915 -6.379 1.00 0.26 H new ATOM 0 HG11 VAL A 84 3.778 3.149 -7.946 1.00 0.45 H new ATOM 0 HG12 VAL A 84 4.181 4.647 -8.818 1.00 0.45 H new ATOM 0 HG13 VAL A 84 5.274 3.245 -8.905 1.00 0.45 H new ATOM 0 HG21 VAL A 84 4.945 2.532 -5.923 1.00 0.24 H new ATOM 0 HG22 VAL A 84 6.487 2.520 -6.811 1.00 0.24 H new ATOM 0 HG23 VAL A 84 6.325 3.482 -5.322 1.00 0.24 H new