USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 124:sc= 0.0542 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.0579 X(o=-0.97,f=-1.2) USER MOD Set 1.3: A 85 MET CE :methyl -154:sc= -1.08 (180deg=-1.33) USER MOD Single : A 11 SER OG : rot 29:sc= 1.31 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.588 USER MOD Single : A 24 ASN : amide:sc= -0.614 K(o=-0.61,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot 69:sc= -0.713 USER MOD Single : A 46 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-3.3!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0.48 (180deg=-1.99!) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= 0.603 (180deg=-0.793!) USER MOD Single : A 59 MET CE :methyl -159:sc= -0.0414 (180deg=-0.443) USER MOD Single : A 61 MET CE :methyl -170:sc= 0 (180deg=-0.0735) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 0.129 (180deg=-0.275!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.16) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.574 (180deg=0.224) USER MOD Single : A 94 LYS NZ :NH3+ -130:sc= 2.24 (180deg=-0.589) USER MOD Single : A 109 LYS NZ :NH3+ -121:sc= 0.876 (180deg=-0.132) USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 0.512 (180deg=-0.629!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.337 -2.988 -2.113 1.00 1.55 N ATOM 56 CA GLU A 5 10.248 -3.916 -1.755 1.00 1.34 C ATOM 57 C GLU A 5 9.351 -3.397 -0.604 1.00 1.03 C ATOM 58 O GLU A 5 9.265 -2.186 -0.380 1.00 1.35 O ATOM 59 CB GLU A 5 10.853 -5.292 -1.412 1.00 2.34 C ATOM 60 CG GLU A 5 11.668 -5.933 -2.542 1.00 3.22 C ATOM 61 CD GLU A 5 12.251 -7.272 -2.105 1.00 4.18 C ATOM 62 OE1 GLU A 5 11.513 -8.029 -1.438 1.00 5.09 O ATOM 63 OE2 GLU A 5 13.439 -7.492 -2.432 1.00 4.74 O ATOM 0 HA GLU A 5 9.589 -4.002 -2.619 1.00 1.34 H new ATOM 0 HB2 GLU A 5 11.493 -5.184 -0.537 1.00 2.34 H new ATOM 0 HB3 GLU A 5 10.046 -5.970 -1.135 1.00 2.34 H new ATOM 0 HG2 GLU A 5 11.033 -6.077 -3.416 1.00 3.22 H new ATOM 0 HG3 GLU A 5 12.473 -5.262 -2.840 1.00 3.22 H new ATOM 70 N GLY A 6 8.643 -4.300 0.094 1.00 1.09 N ATOM 71 CA GLY A 6 7.715 -4.007 1.192 1.00 1.26 C ATOM 72 C GLY A 6 7.362 -5.193 2.085 1.00 1.18 C ATOM 73 O GLY A 6 7.793 -6.315 1.827 1.00 1.18 O ATOM 0 H GLY A 6 8.707 -5.299 -0.103 1.00 1.09 H new ATOM 0 HA2 GLY A 6 8.149 -3.223 1.813 1.00 1.26 H new ATOM 0 HA3 GLY A 6 6.794 -3.605 0.769 1.00 1.26 H new ATOM 77 N TRP A 7 6.504 -4.947 3.081 1.00 1.24 N ATOM 78 CA TRP A 7 5.902 -5.995 3.901 1.00 1.12 C ATOM 79 C TRP A 7 4.376 -5.891 3.972 1.00 0.86 C ATOM 80 O TRP A 7 3.817 -4.805 4.125 1.00 0.98 O ATOM 81 CB TRP A 7 6.494 -5.987 5.320 1.00 1.44 C ATOM 82 CG TRP A 7 6.241 -4.801 6.210 1.00 1.59 C ATOM 83 CD1 TRP A 7 5.457 -4.818 7.315 1.00 1.66 C ATOM 84 CD2 TRP A 7 6.798 -3.449 6.148 1.00 1.75 C ATOM 85 NE1 TRP A 7 5.486 -3.586 7.936 1.00 1.85 N ATOM 86 CE2 TRP A 7 6.284 -2.696 7.247 1.00 1.90 C ATOM 87 CE3 TRP A 7 7.696 -2.784 5.282 1.00 1.83 C ATOM 88 CZ2 TRP A 7 6.617 -1.348 7.456 1.00 2.09 C ATOM 89 CZ3 TRP A 7 8.038 -1.433 5.484 1.00 2.03 C ATOM 90 CH2 TRP A 7 7.501 -0.714 6.567 1.00 2.15 C ATOM 0 H TRP A 7 6.208 -4.006 3.340 1.00 1.24 H new ATOM 0 HA TRP A 7 6.140 -6.940 3.413 1.00 1.12 H new ATOM 0 HB2 TRP A 7 6.121 -6.871 5.837 1.00 1.44 H new ATOM 0 HB3 TRP A 7 7.574 -6.104 5.227 1.00 1.44 H new ATOM 0 HD1 TRP A 7 4.892 -5.671 7.660 1.00 1.66 H new ATOM 0 HE1 TRP A 7 4.982 -3.362 8.794 1.00 1.85 H new ATOM 0 HE3 TRP A 7 8.127 -3.322 4.451 1.00 1.83 H new ATOM 0 HZ2 TRP A 7 6.198 -0.805 8.290 1.00 2.09 H new ATOM 0 HZ3 TRP A 7 8.718 -0.945 4.802 1.00 2.03 H new ATOM 0 HH2 TRP A 7 7.767 0.322 6.715 1.00 2.15 H new ATOM 101 N VAL A 8 3.692 -7.032 3.931 1.00 0.76 N ATOM 102 CA VAL A 8 2.301 -7.119 4.409 1.00 0.80 C ATOM 103 C VAL A 8 2.337 -7.309 5.930 1.00 0.88 C ATOM 104 O VAL A 8 3.209 -8.000 6.450 1.00 0.89 O ATOM 105 CB VAL A 8 1.516 -8.208 3.657 1.00 0.79 C ATOM 106 CG1 VAL A 8 0.103 -8.407 4.227 1.00 0.94 C ATOM 107 CG2 VAL A 8 1.420 -7.838 2.170 1.00 0.82 C ATOM 0 H VAL A 8 4.070 -7.910 3.574 1.00 0.76 H new ATOM 0 HA VAL A 8 1.756 -6.199 4.196 1.00 0.80 H new ATOM 0 HB VAL A 8 2.057 -9.146 3.782 1.00 0.79 H new ATOM 0 HG11 VAL A 8 -0.411 -9.185 3.663 1.00 0.94 H new ATOM 0 HG12 VAL A 8 0.171 -8.703 5.274 1.00 0.94 H new ATOM 0 HG13 VAL A 8 -0.455 -7.474 4.149 1.00 0.94 H new ATOM 0 HG21 VAL A 8 0.864 -8.610 1.638 1.00 0.82 H new ATOM 0 HG22 VAL A 8 0.906 -6.883 2.065 1.00 0.82 H new ATOM 0 HG23 VAL A 8 2.422 -7.758 1.749 1.00 0.82 H new ATOM 117 N ARG A 9 1.458 -6.635 6.671 1.00 1.00 N ATOM 118 CA ARG A 9 1.617 -6.494 8.117 1.00 1.02 C ATOM 119 C ARG A 9 1.069 -7.698 8.885 1.00 1.04 C ATOM 120 O ARG A 9 -0.137 -7.944 8.864 1.00 1.70 O ATOM 121 CB ARG A 9 0.980 -5.177 8.577 1.00 1.20 C ATOM 122 CG ARG A 9 1.409 -4.860 10.013 1.00 1.26 C ATOM 123 CD ARG A 9 0.968 -3.467 10.463 1.00 1.89 C ATOM 124 NE ARG A 9 1.664 -3.095 11.696 1.00 2.29 N ATOM 125 CZ ARG A 9 1.256 -3.211 12.950 1.00 2.83 C ATOM 126 NH1 ARG A 9 0.085 -3.723 13.282 1.00 3.26 N ATOM 127 NH2 ARG A 9 2.065 -2.803 13.895 1.00 3.75 N ATOM 0 H ARG A 9 0.628 -6.178 6.293 1.00 1.00 H new ATOM 0 HA ARG A 9 2.683 -6.464 8.343 1.00 1.02 H new ATOM 0 HB2 ARG A 9 1.280 -4.367 7.912 1.00 1.20 H new ATOM 0 HB3 ARG A 9 -0.106 -5.250 8.521 1.00 1.20 H new ATOM 0 HG2 ARG A 9 0.988 -5.606 10.687 1.00 1.26 H new ATOM 0 HG3 ARG A 9 2.494 -4.936 10.090 1.00 1.26 H new ATOM 0 HD2 ARG A 9 1.182 -2.739 9.681 1.00 1.89 H new ATOM 0 HD3 ARG A 9 -0.110 -3.453 10.626 1.00 1.89 H new ATOM 0 HE ARG A 9 2.592 -2.690 11.572 1.00 2.29 H new ATOM 0 HH11 ARG A 9 -0.552 -4.051 12.556 1.00 3.26 H new ATOM 0 HH12 ARG A 9 -0.182 -3.790 14.264 1.00 3.26 H new ATOM 0 HH21 ARG A 9 2.975 -2.412 13.653 1.00 3.75 H new ATOM 0 HH22 ARG A 9 1.785 -2.877 14.873 1.00 3.75 H new ATOM 141 N PHE A 10 1.941 -8.375 9.641 1.00 0.91 N ATOM 142 CA PHE A 10 1.581 -9.323 10.700 1.00 1.02 C ATOM 143 C PHE A 10 0.554 -8.701 11.656 1.00 1.04 C ATOM 144 O PHE A 10 0.761 -7.605 12.178 1.00 1.47 O ATOM 145 CB PHE A 10 2.840 -9.789 11.457 1.00 1.47 C ATOM 146 CG PHE A 10 2.601 -10.220 12.900 1.00 1.80 C ATOM 147 CD1 PHE A 10 2.265 -11.549 13.214 1.00 1.82 C ATOM 148 CD2 PHE A 10 2.631 -9.260 13.931 1.00 3.03 C ATOM 149 CE1 PHE A 10 1.942 -11.911 14.534 1.00 2.03 C ATOM 150 CE2 PHE A 10 2.277 -9.614 15.244 1.00 3.35 C ATOM 151 CZ PHE A 10 1.938 -10.942 15.550 1.00 2.47 C ATOM 0 H PHE A 10 2.950 -8.274 9.528 1.00 0.91 H new ATOM 0 HA PHE A 10 1.121 -10.199 10.242 1.00 1.02 H new ATOM 0 HB2 PHE A 10 3.285 -10.623 10.913 1.00 1.47 H new ATOM 0 HB3 PHE A 10 3.570 -8.979 11.451 1.00 1.47 H new ATOM 0 HD1 PHE A 10 2.255 -12.297 12.435 1.00 1.82 H new ATOM 0 HD2 PHE A 10 2.928 -8.245 13.711 1.00 3.03 H new ATOM 0 HE1 PHE A 10 1.696 -12.937 14.767 1.00 2.03 H new ATOM 0 HE2 PHE A 10 2.266 -8.863 16.020 1.00 3.35 H new ATOM 0 HZ PHE A 10 1.676 -11.216 16.561 1.00 2.47 H new ATOM 161 N SER A 11 -0.542 -9.413 11.911 1.00 0.96 N ATOM 162 CA SER A 11 -1.680 -8.979 12.709 1.00 1.19 C ATOM 163 C SER A 11 -2.756 -10.083 12.752 1.00 1.27 C ATOM 164 O SER A 11 -3.405 -10.322 11.731 1.00 1.41 O ATOM 165 CB SER A 11 -2.288 -7.714 12.088 1.00 1.62 C ATOM 166 OG SER A 11 -1.604 -6.544 12.512 1.00 2.04 O ATOM 0 H SER A 11 -0.663 -10.358 11.546 1.00 0.96 H new ATOM 0 HA SER A 11 -1.338 -8.771 13.723 1.00 1.19 H new ATOM 0 HB2 SER A 11 -2.248 -7.786 11.001 1.00 1.62 H new ATOM 0 HB3 SER A 11 -3.340 -7.642 12.364 1.00 1.62 H new ATOM 0 HG SER A 11 -0.669 -6.764 12.706 1.00 2.04 H new ATOM 172 N PRO A 12 -2.992 -10.726 13.914 1.00 1.43 N ATOM 173 CA PRO A 12 -4.144 -11.591 14.149 1.00 1.64 C ATOM 174 C PRO A 12 -5.363 -10.749 14.577 1.00 1.56 C ATOM 175 O PRO A 12 -5.998 -11.024 15.595 1.00 2.19 O ATOM 176 CB PRO A 12 -3.657 -12.579 15.216 1.00 2.00 C ATOM 177 CG PRO A 12 -2.760 -11.702 16.090 1.00 1.99 C ATOM 178 CD PRO A 12 -2.117 -10.745 15.082 1.00 1.63 C ATOM 0 HA PRO A 12 -4.488 -12.129 13.265 1.00 1.64 H new ATOM 0 HB2 PRO A 12 -4.485 -13.006 15.783 1.00 2.00 H new ATOM 0 HB3 PRO A 12 -3.108 -13.412 14.778 1.00 2.00 H new ATOM 0 HG2 PRO A 12 -3.334 -11.165 16.845 1.00 1.99 H new ATOM 0 HG3 PRO A 12 -2.012 -12.292 16.619 1.00 1.99 H new ATOM 0 HD2 PRO A 12 -2.014 -9.746 15.506 1.00 1.63 H new ATOM 0 HD3 PRO A 12 -1.116 -11.081 14.812 1.00 1.63 H new ATOM 186 N GLY A 13 -5.652 -9.673 13.831 1.00 1.23 N ATOM 187 CA GLY A 13 -6.738 -8.731 14.121 1.00 1.19 C ATOM 188 C GLY A 13 -7.970 -8.940 13.227 1.00 1.19 C ATOM 189 O GLY A 13 -7.994 -9.860 12.410 1.00 1.63 O ATOM 0 H GLY A 13 -5.125 -9.430 12.992 1.00 1.23 H new ATOM 0 HA2 GLY A 13 -7.032 -8.835 15.165 1.00 1.19 H new ATOM 0 HA3 GLY A 13 -6.372 -7.712 13.993 1.00 1.19 H new ATOM 193 N PRO A 14 -8.988 -8.062 13.329 1.00 1.15 N ATOM 194 CA PRO A 14 -10.038 -7.949 12.317 1.00 1.34 C ATOM 195 C PRO A 14 -9.512 -7.291 11.028 1.00 1.08 C ATOM 196 O PRO A 14 -10.138 -7.408 9.973 1.00 1.31 O ATOM 197 CB PRO A 14 -11.123 -7.099 12.983 1.00 1.61 C ATOM 198 CG PRO A 14 -10.326 -6.168 13.900 1.00 1.50 C ATOM 199 CD PRO A 14 -9.145 -7.032 14.349 1.00 1.28 C ATOM 0 HA PRO A 14 -10.415 -8.923 12.005 1.00 1.34 H new ATOM 0 HB2 PRO A 14 -11.704 -6.540 12.249 1.00 1.61 H new ATOM 0 HB3 PRO A 14 -11.826 -7.713 13.546 1.00 1.61 H new ATOM 0 HG2 PRO A 14 -9.992 -5.275 13.372 1.00 1.50 H new ATOM 0 HG3 PRO A 14 -10.923 -5.833 14.748 1.00 1.50 H new ATOM 0 HD2 PRO A 14 -8.238 -6.435 14.443 1.00 1.28 H new ATOM 0 HD3 PRO A 14 -9.336 -7.476 15.326 1.00 1.28 H new ATOM 207 N ASN A 15 -8.357 -6.618 11.110 1.00 0.79 N ATOM 208 CA ASN A 15 -7.694 -5.905 10.028 1.00 0.78 C ATOM 209 C ASN A 15 -6.159 -5.870 10.180 1.00 0.79 C ATOM 210 O ASN A 15 -5.596 -6.216 11.221 1.00 0.92 O ATOM 211 CB ASN A 15 -8.286 -4.492 9.900 1.00 0.94 C ATOM 212 CG ASN A 15 -7.970 -3.545 11.057 1.00 1.24 C ATOM 213 OD1 ASN A 15 -7.942 -3.911 12.224 1.00 1.98 O ATOM 214 ND2 ASN A 15 -7.749 -2.281 10.753 1.00 1.78 N ATOM 0 H ASN A 15 -7.837 -6.558 11.985 1.00 0.79 H new ATOM 0 HA ASN A 15 -7.882 -6.455 9.106 1.00 0.78 H new ATOM 0 HB2 ASN A 15 -7.920 -4.045 8.976 1.00 0.94 H new ATOM 0 HB3 ASN A 15 -9.369 -4.576 9.806 1.00 0.94 H new ATOM 0 HD21 ASN A 15 -7.554 -1.605 11.492 1.00 1.78 H new ATOM 0 HD22 ASN A 15 -7.773 -1.979 9.779 1.00 1.78 H new ATOM 221 N ALA A 16 -5.489 -5.433 9.111 1.00 0.77 N ATOM 222 CA ALA A 16 -4.040 -5.350 8.943 1.00 0.95 C ATOM 223 C ALA A 16 -3.707 -4.280 7.883 1.00 0.79 C ATOM 224 O ALA A 16 -4.537 -3.424 7.579 1.00 0.65 O ATOM 225 CB ALA A 16 -3.497 -6.747 8.591 1.00 1.31 C ATOM 0 H ALA A 16 -5.983 -5.105 8.281 1.00 0.77 H new ATOM 0 HA ALA A 16 -3.552 -5.038 9.866 1.00 0.95 H new ATOM 0 HB1 ALA A 16 -2.416 -6.696 8.463 1.00 1.31 H new ATOM 0 HB2 ALA A 16 -3.735 -7.443 9.395 1.00 1.31 H new ATOM 0 HB3 ALA A 16 -3.956 -7.093 7.665 1.00 1.31 H new ATOM 231 N ALA A 17 -2.514 -4.339 7.295 1.00 1.23 N ATOM 232 CA ALA A 17 -2.020 -3.374 6.317 1.00 1.14 C ATOM 233 C ALA A 17 -1.129 -4.052 5.268 1.00 1.18 C ATOM 234 O ALA A 17 -0.659 -5.166 5.501 1.00 1.56 O ATOM 235 CB ALA A 17 -1.257 -2.265 7.062 1.00 1.19 C ATOM 0 H ALA A 17 -1.844 -5.083 7.493 1.00 1.23 H new ATOM 0 HA ALA A 17 -2.863 -2.938 5.780 1.00 1.14 H new ATOM 0 HB1 ALA A 17 -0.882 -1.536 6.344 1.00 1.19 H new ATOM 0 HB2 ALA A 17 -1.928 -1.770 7.764 1.00 1.19 H new ATOM 0 HB3 ALA A 17 -0.420 -2.702 7.607 1.00 1.19 H new ATOM 241 N ALA A 18 -0.845 -3.354 4.163 1.00 0.89 N ATOM 242 CA ALA A 18 0.247 -3.673 3.242 1.00 0.86 C ATOM 243 C ALA A 18 1.042 -2.420 2.846 1.00 0.68 C ATOM 244 O ALA A 18 0.467 -1.392 2.476 1.00 0.78 O ATOM 245 CB ALA A 18 -0.300 -4.393 2.002 1.00 0.99 C ATOM 0 H ALA A 18 -1.381 -2.534 3.879 1.00 0.89 H new ATOM 0 HA ALA A 18 0.938 -4.340 3.758 1.00 0.86 H new ATOM 0 HB1 ALA A 18 0.521 -4.625 1.324 1.00 0.99 H new ATOM 0 HB2 ALA A 18 -0.792 -5.317 2.305 1.00 0.99 H new ATOM 0 HB3 ALA A 18 -1.018 -3.749 1.495 1.00 0.99 H new ATOM 251 N TYR A 19 2.369 -2.543 2.899 1.00 0.61 N ATOM 252 CA TYR A 19 3.362 -1.524 2.546 1.00 0.68 C ATOM 253 C TYR A 19 4.265 -2.049 1.428 1.00 0.77 C ATOM 254 O TYR A 19 4.568 -3.242 1.409 1.00 0.92 O ATOM 255 CB TYR A 19 4.243 -1.232 3.771 1.00 0.78 C ATOM 256 CG TYR A 19 3.473 -0.968 5.044 1.00 0.83 C ATOM 257 CD1 TYR A 19 2.816 0.261 5.238 1.00 2.13 C ATOM 258 CD2 TYR A 19 3.383 -1.979 6.017 1.00 1.62 C ATOM 259 CE1 TYR A 19 2.056 0.467 6.406 1.00 2.41 C ATOM 260 CE2 TYR A 19 2.675 -1.761 7.207 1.00 1.57 C ATOM 261 CZ TYR A 19 1.989 -0.542 7.396 1.00 1.35 C ATOM 262 OH TYR A 19 1.250 -0.336 8.517 1.00 1.74 O ATOM 0 H TYR A 19 2.808 -3.410 3.209 1.00 0.61 H new ATOM 0 HA TYR A 19 2.845 -0.622 2.219 1.00 0.68 H new ATOM 0 HB2 TYR A 19 4.911 -2.078 3.933 1.00 0.78 H new ATOM 0 HB3 TYR A 19 4.871 -0.368 3.554 1.00 0.78 H new ATOM 0 HD1 TYR A 19 2.894 1.042 4.496 1.00 2.13 H new ATOM 0 HD2 TYR A 19 3.863 -2.931 5.846 1.00 1.62 H new ATOM 0 HE1 TYR A 19 1.524 1.396 6.546 1.00 2.41 H new ATOM 0 HE2 TYR A 19 2.655 -2.521 7.974 1.00 1.57 H new ATOM 0 HH TYR A 19 0.499 0.259 8.309 1.00 1.74 H new ATOM 272 N LEU A 20 4.752 -1.159 0.551 1.00 0.77 N ATOM 273 CA LEU A 20 5.717 -1.478 -0.513 1.00 0.89 C ATOM 274 C LEU A 20 6.301 -0.262 -1.221 1.00 0.92 C ATOM 275 O LEU A 20 5.662 0.779 -1.347 1.00 0.86 O ATOM 276 CB LEU A 20 5.177 -2.495 -1.555 1.00 0.94 C ATOM 277 CG LEU A 20 4.165 -1.959 -2.596 1.00 0.96 C ATOM 278 CD1 LEU A 20 4.012 -2.958 -3.753 1.00 1.41 C ATOM 279 CD2 LEU A 20 2.782 -1.679 -1.996 1.00 1.29 C ATOM 0 H LEU A 20 4.480 -0.176 0.561 1.00 0.77 H new ATOM 0 HA LEU A 20 6.534 -1.952 0.031 1.00 0.89 H new ATOM 0 HB2 LEU A 20 6.028 -2.914 -2.093 1.00 0.94 H new ATOM 0 HB3 LEU A 20 4.706 -3.316 -1.015 1.00 0.94 H new ATOM 0 HG LEU A 20 4.569 -1.013 -2.957 1.00 0.96 H new ATOM 0 HD11 LEU A 20 3.297 -2.568 -4.478 1.00 1.41 H new ATOM 0 HD12 LEU A 20 4.977 -3.104 -4.238 1.00 1.41 H new ATOM 0 HD13 LEU A 20 3.653 -3.911 -3.365 1.00 1.41 H new ATOM 0 HD21 LEU A 20 2.117 -1.306 -2.774 1.00 1.29 H new ATOM 0 HD22 LEU A 20 2.373 -2.600 -1.580 1.00 1.29 H new ATOM 0 HD23 LEU A 20 2.872 -0.933 -1.207 1.00 1.29 H new ATOM 291 N THR A 21 7.497 -0.457 -1.773 1.00 1.10 N ATOM 292 CA THR A 21 8.048 0.352 -2.861 1.00 1.06 C ATOM 293 C THR A 21 7.339 -0.025 -4.156 1.00 1.05 C ATOM 294 O THR A 21 7.030 -1.194 -4.383 1.00 1.28 O ATOM 295 CB THR A 21 9.553 0.110 -3.001 1.00 1.16 C ATOM 296 OG1 THR A 21 10.163 0.263 -1.738 1.00 1.20 O ATOM 297 CG2 THR A 21 10.174 1.102 -3.993 1.00 1.38 C ATOM 0 H THR A 21 8.126 -1.200 -1.469 1.00 1.10 H new ATOM 0 HA THR A 21 7.892 1.409 -2.643 1.00 1.06 H new ATOM 0 HB THR A 21 9.715 -0.900 -3.377 1.00 1.16 H new ATOM 0 HG1 THR A 21 9.978 -0.526 -1.187 1.00 1.20 H new ATOM 0 HG21 THR A 21 11.244 0.911 -4.077 1.00 1.38 H new ATOM 0 HG22 THR A 21 9.706 0.980 -4.970 1.00 1.38 H new ATOM 0 HG23 THR A 21 10.014 2.120 -3.638 1.00 1.38 H new ATOM 305 N LEU A 22 7.103 0.959 -5.021 1.00 1.02 N ATOM 306 CA LEU A 22 6.577 0.771 -6.366 1.00 1.03 C ATOM 307 C LEU A 22 7.276 1.779 -7.285 1.00 0.97 C ATOM 308 O LEU A 22 7.376 2.970 -6.971 1.00 1.10 O ATOM 309 CB LEU A 22 5.038 0.900 -6.313 1.00 1.21 C ATOM 310 CG LEU A 22 4.233 0.555 -7.585 1.00 1.43 C ATOM 311 CD1 LEU A 22 4.194 1.722 -8.579 1.00 2.05 C ATOM 312 CD2 LEU A 22 4.709 -0.736 -8.269 1.00 2.19 C ATOM 0 H LEU A 22 7.279 1.938 -4.796 1.00 1.02 H new ATOM 0 HA LEU A 22 6.780 -0.219 -6.774 1.00 1.03 H new ATOM 0 HB2 LEU A 22 4.678 0.260 -5.507 1.00 1.21 H new ATOM 0 HB3 LEU A 22 4.799 1.927 -6.036 1.00 1.21 H new ATOM 0 HG LEU A 22 3.214 0.373 -7.244 1.00 1.43 H new ATOM 0 HD11 LEU A 22 3.617 1.433 -9.457 1.00 2.05 H new ATOM 0 HD12 LEU A 22 3.727 2.587 -8.107 1.00 2.05 H new ATOM 0 HD13 LEU A 22 5.210 1.978 -8.880 1.00 2.05 H new ATOM 0 HD21 LEU A 22 4.103 -0.923 -9.156 1.00 2.19 H new ATOM 0 HD22 LEU A 22 5.754 -0.630 -8.559 1.00 2.19 H new ATOM 0 HD23 LEU A 22 4.608 -1.573 -7.578 1.00 2.19 H new ATOM 324 N GLU A 23 7.787 1.289 -8.410 1.00 0.99 N ATOM 325 CA GLU A 23 8.557 2.077 -9.363 1.00 1.04 C ATOM 326 C GLU A 23 8.235 1.674 -10.801 1.00 0.99 C ATOM 327 O GLU A 23 7.942 0.515 -11.097 1.00 1.31 O ATOM 328 CB GLU A 23 10.059 2.075 -9.017 1.00 1.73 C ATOM 329 CG GLU A 23 10.744 0.725 -8.724 1.00 2.35 C ATOM 330 CD GLU A 23 12.116 0.927 -8.063 1.00 3.19 C ATOM 331 OE1 GLU A 23 12.739 1.994 -8.256 1.00 4.23 O ATOM 332 OE2 GLU A 23 12.573 0.059 -7.286 1.00 3.38 O ATOM 0 H GLU A 23 7.675 0.314 -8.689 1.00 0.99 H new ATOM 0 HA GLU A 23 8.253 3.120 -9.282 1.00 1.04 H new ATOM 0 HB2 GLU A 23 10.591 2.544 -9.845 1.00 1.73 H new ATOM 0 HB3 GLU A 23 10.199 2.714 -8.145 1.00 1.73 H new ATOM 0 HG2 GLU A 23 10.108 0.126 -8.072 1.00 2.35 H new ATOM 0 HG3 GLU A 23 10.864 0.167 -9.652 1.00 2.35 H new ATOM 339 N ASN A 24 8.208 2.681 -11.674 1.00 0.82 N ATOM 340 CA ASN A 24 7.697 2.605 -13.037 1.00 0.76 C ATOM 341 C ASN A 24 8.855 2.513 -14.042 1.00 0.76 C ATOM 342 O ASN A 24 9.551 3.510 -14.238 1.00 0.78 O ATOM 343 CB ASN A 24 6.858 3.866 -13.317 1.00 0.71 C ATOM 344 CG ASN A 24 6.223 3.851 -14.702 1.00 0.73 C ATOM 345 OD1 ASN A 24 6.174 2.834 -15.379 1.00 0.82 O ATOM 346 ND2 ASN A 24 5.702 4.981 -15.137 1.00 0.78 N ATOM 0 H ASN A 24 8.557 3.610 -11.438 1.00 0.82 H new ATOM 0 HA ASN A 24 7.081 1.712 -13.146 1.00 0.76 H new ATOM 0 HB2 ASN A 24 6.075 3.952 -12.563 1.00 0.71 H new ATOM 0 HB3 ASN A 24 7.491 4.748 -13.221 1.00 0.71 H new ATOM 0 HD21 ASN A 24 5.250 5.016 -16.051 1.00 0.78 H new ATOM 0 HD22 ASN A 24 5.751 5.821 -14.560 1.00 0.78 H new ATOM 353 N PRO A 25 9.063 1.374 -14.720 1.00 0.80 N ATOM 354 CA PRO A 25 10.077 1.264 -15.766 1.00 0.83 C ATOM 355 C PRO A 25 9.630 1.844 -17.117 1.00 0.82 C ATOM 356 O PRO A 25 10.468 1.984 -18.007 1.00 0.86 O ATOM 357 CB PRO A 25 10.349 -0.240 -15.867 1.00 0.92 C ATOM 358 CG PRO A 25 8.988 -0.855 -15.532 1.00 0.95 C ATOM 359 CD PRO A 25 8.445 0.082 -14.459 1.00 0.89 C ATOM 0 HA PRO A 25 10.964 1.845 -15.514 1.00 0.83 H new ATOM 0 HB2 PRO A 25 10.687 -0.524 -16.864 1.00 0.92 H new ATOM 0 HB3 PRO A 25 11.120 -0.559 -15.166 1.00 0.92 H new ATOM 0 HG2 PRO A 25 8.335 -0.891 -16.404 1.00 0.95 H new ATOM 0 HG3 PRO A 25 9.086 -1.876 -15.164 1.00 0.95 H new ATOM 0 HD2 PRO A 25 7.358 0.149 -14.511 1.00 0.89 H new ATOM 0 HD3 PRO A 25 8.695 -0.278 -13.461 1.00 0.89 H new ATOM 367 N GLY A 26 8.346 2.184 -17.291 1.00 0.81 N ATOM 368 CA GLY A 26 7.794 2.681 -18.551 1.00 0.84 C ATOM 369 C GLY A 26 8.123 4.146 -18.829 1.00 0.80 C ATOM 370 O GLY A 26 8.636 4.866 -17.974 1.00 0.81 O ATOM 0 H GLY A 26 7.653 2.119 -16.545 1.00 0.81 H new ATOM 0 HA2 GLY A 26 8.174 2.071 -19.370 1.00 0.84 H new ATOM 0 HA3 GLY A 26 6.711 2.557 -18.537 1.00 0.84 H new ATOM 374 N ASP A 27 7.823 4.568 -20.056 1.00 0.85 N ATOM 375 CA ASP A 27 8.062 5.920 -20.587 1.00 0.89 C ATOM 376 C ASP A 27 6.809 6.818 -20.528 1.00 0.90 C ATOM 377 O ASP A 27 6.888 8.019 -20.781 1.00 0.98 O ATOM 378 CB ASP A 27 8.613 5.780 -22.015 1.00 1.02 C ATOM 379 CG ASP A 27 9.956 5.048 -21.986 1.00 1.55 C ATOM 380 OD1 ASP A 27 9.956 3.799 -21.894 1.00 2.53 O ATOM 381 OD2 ASP A 27 11.004 5.712 -21.852 1.00 2.19 O ATOM 0 H ASP A 27 7.387 3.953 -20.743 1.00 0.85 H new ATOM 0 HA ASP A 27 8.793 6.427 -19.958 1.00 0.89 H new ATOM 0 HB2 ASP A 27 7.904 5.232 -22.636 1.00 1.02 H new ATOM 0 HB3 ASP A 27 8.736 6.765 -22.465 1.00 1.02 H new ATOM 386 N LEU A 28 5.669 6.253 -20.116 1.00 0.87 N ATOM 387 CA LEU A 28 4.441 6.960 -19.747 1.00 0.89 C ATOM 388 C LEU A 28 4.133 6.731 -18.249 1.00 0.80 C ATOM 389 O LEU A 28 4.660 5.776 -17.671 1.00 0.78 O ATOM 390 CB LEU A 28 3.326 6.551 -20.731 1.00 1.02 C ATOM 391 CG LEU A 28 2.849 5.082 -20.708 1.00 1.09 C ATOM 392 CD1 LEU A 28 1.919 4.770 -19.523 1.00 1.62 C ATOM 393 CD2 LEU A 28 2.081 4.795 -22.007 1.00 1.22 C ATOM 0 H LEU A 28 5.575 5.241 -20.027 1.00 0.87 H new ATOM 0 HA LEU A 28 4.542 8.041 -19.842 1.00 0.89 H new ATOM 0 HB2 LEU A 28 2.461 7.187 -20.541 1.00 1.02 H new ATOM 0 HB3 LEU A 28 3.671 6.775 -21.740 1.00 1.02 H new ATOM 0 HG LEU A 28 3.736 4.456 -20.607 1.00 1.09 H new ATOM 0 HD11 LEU A 28 1.618 3.723 -19.562 1.00 1.62 H new ATOM 0 HD12 LEU A 28 2.445 4.962 -18.588 1.00 1.62 H new ATOM 0 HD13 LEU A 28 1.034 5.404 -19.578 1.00 1.62 H new ATOM 0 HD21 LEU A 28 1.737 3.761 -22.006 1.00 1.22 H new ATOM 0 HD22 LEU A 28 1.222 5.462 -22.077 1.00 1.22 H new ATOM 0 HD23 LEU A 28 2.738 4.958 -22.862 1.00 1.22 H new ATOM 405 N PRO A 29 3.320 7.579 -17.585 1.00 0.82 N ATOM 406 CA PRO A 29 3.170 7.560 -16.129 1.00 0.79 C ATOM 407 C PRO A 29 2.238 6.425 -15.658 1.00 0.77 C ATOM 408 O PRO A 29 1.380 5.961 -16.410 1.00 0.84 O ATOM 409 CB PRO A 29 2.594 8.932 -15.764 1.00 0.86 C ATOM 410 CG PRO A 29 1.780 9.312 -16.999 1.00 0.94 C ATOM 411 CD PRO A 29 2.551 8.674 -18.158 1.00 0.93 C ATOM 0 HA PRO A 29 4.125 7.372 -15.638 1.00 0.79 H new ATOM 0 HB2 PRO A 29 1.971 8.882 -14.871 1.00 0.86 H new ATOM 0 HB3 PRO A 29 3.382 9.658 -15.562 1.00 0.86 H new ATOM 0 HG2 PRO A 29 0.761 8.930 -16.939 1.00 0.94 H new ATOM 0 HG3 PRO A 29 1.709 10.394 -17.114 1.00 0.94 H new ATOM 0 HD2 PRO A 29 1.868 8.309 -18.925 1.00 0.93 H new ATOM 0 HD3 PRO A 29 3.207 9.402 -18.635 1.00 0.93 H new ATOM 419 N LEU A 30 2.353 6.028 -14.382 1.00 0.71 N ATOM 420 CA LEU A 30 1.399 5.140 -13.704 1.00 0.63 C ATOM 421 C LEU A 30 0.484 5.947 -12.791 1.00 0.61 C ATOM 422 O LEU A 30 0.885 6.961 -12.230 1.00 0.86 O ATOM 423 CB LEU A 30 2.095 4.068 -12.861 1.00 0.68 C ATOM 424 CG LEU A 30 2.976 3.128 -13.681 1.00 0.92 C ATOM 425 CD1 LEU A 30 3.550 2.063 -12.753 1.00 2.11 C ATOM 426 CD2 LEU A 30 2.318 2.453 -14.889 1.00 1.49 C ATOM 0 H LEU A 30 3.125 6.320 -13.783 1.00 0.71 H new ATOM 0 HA LEU A 30 0.825 4.646 -14.488 1.00 0.63 H new ATOM 0 HB2 LEU A 30 2.705 4.554 -12.100 1.00 0.68 H new ATOM 0 HB3 LEU A 30 1.340 3.482 -12.337 1.00 0.68 H new ATOM 0 HG LEU A 30 3.744 3.767 -14.117 1.00 0.92 H new ATOM 0 HD11 LEU A 30 4.182 1.384 -13.325 1.00 2.11 H new ATOM 0 HD12 LEU A 30 4.144 2.541 -11.974 1.00 2.11 H new ATOM 0 HD13 LEU A 30 2.735 1.502 -12.295 1.00 2.11 H new ATOM 0 HD21 LEU A 30 3.045 1.812 -15.388 1.00 1.49 H new ATOM 0 HD22 LEU A 30 1.473 1.852 -14.554 1.00 1.49 H new ATOM 0 HD23 LEU A 30 1.968 3.215 -15.585 1.00 1.49 H new ATOM 438 N ARG A 31 -0.705 5.401 -12.553 1.00 0.58 N ATOM 439 CA ARG A 31 -1.655 5.869 -11.529 1.00 0.55 C ATOM 440 C ARG A 31 -2.257 4.655 -10.824 1.00 0.52 C ATOM 441 O ARG A 31 -2.976 3.879 -11.453 1.00 0.53 O ATOM 442 CB ARG A 31 -2.713 6.800 -12.149 1.00 0.60 C ATOM 443 CG ARG A 31 -3.619 7.466 -11.094 1.00 0.66 C ATOM 444 CD ARG A 31 -4.442 8.655 -11.621 1.00 0.72 C ATOM 445 NE ARG A 31 -3.607 9.836 -11.929 1.00 1.60 N ATOM 446 CZ ARG A 31 -3.627 10.617 -13.003 1.00 1.75 C ATOM 447 NH1 ARG A 31 -4.495 10.457 -13.982 1.00 1.78 N ATOM 448 NH2 ARG A 31 -2.752 11.587 -13.101 1.00 2.92 N ATOM 0 H ARG A 31 -1.051 4.598 -13.078 1.00 0.58 H new ATOM 0 HA ARG A 31 -1.140 6.468 -10.778 1.00 0.55 H new ATOM 0 HB2 ARG A 31 -2.212 7.574 -12.731 1.00 0.60 H new ATOM 0 HB3 ARG A 31 -3.330 6.229 -12.842 1.00 0.60 H new ATOM 0 HG2 ARG A 31 -4.302 6.716 -10.694 1.00 0.66 H new ATOM 0 HG3 ARG A 31 -3.000 7.808 -10.265 1.00 0.66 H new ATOM 0 HD2 ARG A 31 -4.978 8.350 -12.520 1.00 0.72 H new ATOM 0 HD3 ARG A 31 -5.192 8.929 -10.879 1.00 0.72 H new ATOM 0 HE ARG A 31 -2.920 10.086 -11.218 1.00 1.60 H new ATOM 0 HH11 ARG A 31 -5.187 9.710 -13.933 1.00 1.78 H new ATOM 0 HH12 ARG A 31 -4.474 11.081 -14.789 1.00 1.78 H new ATOM 0 HH21 ARG A 31 -2.068 11.734 -12.359 1.00 2.92 H new ATOM 0 HH22 ARG A 31 -2.755 12.195 -13.920 1.00 2.92 H new ATOM 462 N LEU A 32 -1.875 4.453 -9.565 1.00 0.52 N ATOM 463 CA LEU A 32 -2.197 3.311 -8.704 1.00 0.50 C ATOM 464 C LEU A 32 -3.508 3.599 -7.965 1.00 0.48 C ATOM 465 O LEU A 32 -3.538 4.413 -7.052 1.00 0.58 O ATOM 466 CB LEU A 32 -1.004 3.124 -7.748 1.00 0.51 C ATOM 467 CG LEU A 32 -1.159 2.033 -6.664 1.00 0.51 C ATOM 468 CD1 LEU A 32 -1.124 0.622 -7.265 1.00 0.61 C ATOM 469 CD2 LEU A 32 -0.017 2.166 -5.646 1.00 0.70 C ATOM 0 H LEU A 32 -1.288 5.133 -9.081 1.00 0.52 H new ATOM 0 HA LEU A 32 -2.348 2.389 -9.266 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -0.121 2.891 -8.344 1.00 0.51 H new ATOM 0 HB3 LEU A 32 -0.811 4.075 -7.251 1.00 0.51 H new ATOM 0 HG LEU A 32 -2.127 2.175 -6.184 1.00 0.51 H new ATOM 0 HD11 LEU A 32 -1.236 -0.115 -6.470 1.00 0.61 H new ATOM 0 HD12 LEU A 32 -1.939 0.511 -7.980 1.00 0.61 H new ATOM 0 HD13 LEU A 32 -0.172 0.466 -7.773 1.00 0.61 H new ATOM 0 HD21 LEU A 32 -0.122 1.399 -4.879 1.00 0.70 H new ATOM 0 HD22 LEU A 32 0.939 2.043 -6.154 1.00 0.70 H new ATOM 0 HD23 LEU A 32 -0.057 3.151 -5.181 1.00 0.70 H new ATOM 481 N VAL A 33 -4.583 2.929 -8.368 1.00 0.44 N ATOM 482 CA VAL A 33 -5.956 3.193 -7.894 1.00 0.44 C ATOM 483 C VAL A 33 -6.405 2.211 -6.798 1.00 0.46 C ATOM 484 O VAL A 33 -7.418 2.434 -6.139 1.00 0.49 O ATOM 485 CB VAL A 33 -6.965 3.215 -9.069 1.00 0.48 C ATOM 486 CG1 VAL A 33 -6.619 4.348 -10.052 1.00 0.53 C ATOM 487 CG2 VAL A 33 -7.031 1.891 -9.851 1.00 0.53 C ATOM 0 H VAL A 33 -4.533 2.170 -9.047 1.00 0.44 H new ATOM 0 HA VAL A 33 -5.940 4.184 -7.441 1.00 0.44 H new ATOM 0 HB VAL A 33 -7.942 3.377 -8.614 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -7.337 4.350 -10.872 1.00 0.53 H new ATOM 0 HG12 VAL A 33 -6.659 5.305 -9.532 1.00 0.53 H new ATOM 0 HG13 VAL A 33 -5.616 4.192 -10.449 1.00 0.53 H new ATOM 0 HG21 VAL A 33 -7.758 1.981 -10.658 1.00 0.53 H new ATOM 0 HG22 VAL A 33 -6.050 1.666 -10.270 1.00 0.53 H new ATOM 0 HG23 VAL A 33 -7.332 1.087 -9.180 1.00 0.53 H new ATOM 497 N GLY A 34 -5.642 1.132 -6.580 1.00 0.48 N ATOM 498 CA GLY A 34 -5.868 0.166 -5.510 1.00 0.54 C ATOM 499 C GLY A 34 -4.863 -0.977 -5.555 1.00 0.57 C ATOM 500 O GLY A 34 -3.892 -0.941 -6.306 1.00 0.52 O ATOM 0 H GLY A 34 -4.833 0.906 -7.159 1.00 0.48 H new ATOM 0 HA2 GLY A 34 -5.801 0.670 -4.546 1.00 0.54 H new ATOM 0 HA3 GLY A 34 -6.878 -0.235 -5.591 1.00 0.54 H new ATOM 504 N ALA A 35 -5.119 -2.018 -4.774 1.00 0.69 N ATOM 505 CA ALA A 35 -4.504 -3.330 -4.918 1.00 0.64 C ATOM 506 C ALA A 35 -5.483 -4.402 -4.424 1.00 0.72 C ATOM 507 O ALA A 35 -6.599 -4.056 -4.043 1.00 0.86 O ATOM 508 CB ALA A 35 -3.144 -3.381 -4.223 1.00 0.86 C ATOM 0 H ALA A 35 -5.781 -1.971 -3.999 1.00 0.69 H new ATOM 0 HA ALA A 35 -4.299 -3.532 -5.969 1.00 0.64 H new ATOM 0 HB1 ALA A 35 -2.709 -4.373 -4.347 1.00 0.86 H new ATOM 0 HB2 ALA A 35 -2.482 -2.636 -4.664 1.00 0.86 H new ATOM 0 HB3 ALA A 35 -3.270 -3.171 -3.161 1.00 0.86 H new ATOM 514 N ARG A 36 -5.114 -5.683 -4.463 1.00 0.69 N ATOM 515 CA ARG A 36 -6.051 -6.787 -4.263 1.00 0.63 C ATOM 516 C ARG A 36 -5.273 -8.045 -3.864 1.00 0.55 C ATOM 517 O ARG A 36 -4.228 -8.303 -4.437 1.00 0.69 O ATOM 518 CB ARG A 36 -6.825 -6.903 -5.590 1.00 0.91 C ATOM 519 CG ARG A 36 -7.475 -8.251 -5.868 1.00 1.30 C ATOM 520 CD ARG A 36 -8.723 -8.476 -5.005 1.00 2.28 C ATOM 521 NE ARG A 36 -9.400 -9.720 -5.390 1.00 3.21 N ATOM 522 CZ ARG A 36 -10.051 -9.932 -6.530 1.00 3.74 C ATOM 523 NH1 ARG A 36 -10.221 -8.982 -7.429 1.00 3.88 N ATOM 524 NH2 ARG A 36 -10.529 -11.128 -6.800 1.00 4.94 N ATOM 0 H ARG A 36 -4.155 -5.984 -4.635 1.00 0.69 H new ATOM 0 HA ARG A 36 -6.762 -6.632 -3.452 1.00 0.63 H new ATOM 0 HB2 ARG A 36 -7.601 -6.138 -5.603 1.00 0.91 H new ATOM 0 HB3 ARG A 36 -6.141 -6.676 -6.408 1.00 0.91 H new ATOM 0 HG2 ARG A 36 -7.747 -8.312 -6.922 1.00 1.30 H new ATOM 0 HG3 ARG A 36 -6.755 -9.047 -5.678 1.00 1.30 H new ATOM 0 HD2 ARG A 36 -8.441 -8.520 -3.953 1.00 2.28 H new ATOM 0 HD3 ARG A 36 -9.406 -7.634 -5.117 1.00 2.28 H new ATOM 0 HE ARG A 36 -9.368 -10.491 -4.723 1.00 3.21 H new ATOM 0 HH11 ARG A 36 -9.847 -8.048 -7.261 1.00 3.88 H new ATOM 0 HH12 ARG A 36 -10.726 -9.181 -8.292 1.00 3.88 H new ATOM 0 HH21 ARG A 36 -10.400 -11.891 -6.135 1.00 4.94 H new ATOM 0 HH22 ARG A 36 -11.029 -11.292 -7.674 1.00 4.94 H new ATOM 538 N THR A 37 -5.743 -8.835 -2.897 1.00 0.47 N ATOM 539 CA THR A 37 -4.991 -9.966 -2.317 1.00 0.47 C ATOM 540 C THR A 37 -5.949 -11.123 -1.999 1.00 0.51 C ATOM 541 O THR A 37 -7.145 -10.857 -1.864 1.00 0.59 O ATOM 542 CB THR A 37 -4.244 -9.468 -1.077 1.00 0.52 C ATOM 543 OG1 THR A 37 -3.469 -10.514 -0.555 1.00 0.58 O ATOM 544 CG2 THR A 37 -5.130 -8.928 0.048 1.00 0.57 C ATOM 0 H THR A 37 -6.668 -8.712 -2.485 1.00 0.47 H new ATOM 0 HA THR A 37 -4.258 -10.350 -3.027 1.00 0.47 H new ATOM 0 HB THR A 37 -3.643 -8.628 -1.425 1.00 0.52 H new ATOM 0 HG1 THR A 37 -2.732 -10.714 -1.170 1.00 0.58 H new ATOM 0 HG21 THR A 37 -4.505 -8.601 0.879 1.00 0.57 H new ATOM 0 HG22 THR A 37 -5.713 -8.084 -0.321 1.00 0.57 H new ATOM 0 HG23 THR A 37 -5.805 -9.713 0.389 1.00 0.57 H new ATOM 552 N PRO A 38 -5.490 -12.380 -1.822 1.00 0.60 N ATOM 553 CA PRO A 38 -6.306 -13.419 -1.198 1.00 0.68 C ATOM 554 C PRO A 38 -6.496 -13.226 0.312 1.00 0.71 C ATOM 555 O PRO A 38 -7.519 -13.650 0.840 1.00 0.93 O ATOM 556 CB PRO A 38 -5.571 -14.728 -1.486 1.00 0.80 C ATOM 557 CG PRO A 38 -4.113 -14.320 -1.665 1.00 0.79 C ATOM 558 CD PRO A 38 -4.238 -12.947 -2.313 1.00 0.71 C ATOM 0 HA PRO A 38 -7.317 -13.398 -1.605 1.00 0.68 H new ATOM 0 HB2 PRO A 38 -5.686 -15.436 -0.665 1.00 0.80 H new ATOM 0 HB3 PRO A 38 -5.960 -15.212 -2.382 1.00 0.80 H new ATOM 0 HG2 PRO A 38 -3.584 -14.274 -0.713 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -3.569 -15.021 -2.299 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -3.392 -12.312 -2.048 1.00 0.71 H new ATOM 0 HD3 PRO A 38 -4.247 -13.028 -3.400 1.00 0.71 H new ATOM 566 N VAL A 39 -5.539 -12.612 1.018 1.00 0.64 N ATOM 567 CA VAL A 39 -5.502 -12.655 2.504 1.00 0.70 C ATOM 568 C VAL A 39 -6.436 -11.656 3.210 1.00 0.73 C ATOM 569 O VAL A 39 -6.489 -11.641 4.439 1.00 0.88 O ATOM 570 CB VAL A 39 -4.069 -12.552 3.079 1.00 0.77 C ATOM 571 CG1 VAL A 39 -3.164 -13.610 2.425 1.00 0.89 C ATOM 572 CG2 VAL A 39 -3.476 -11.143 2.920 1.00 0.73 C ATOM 0 H VAL A 39 -4.778 -12.079 0.596 1.00 0.64 H new ATOM 0 HA VAL A 39 -5.894 -13.647 2.729 1.00 0.70 H new ATOM 0 HB VAL A 39 -4.126 -12.745 4.150 1.00 0.77 H new ATOM 0 HG11 VAL A 39 -2.157 -13.531 2.835 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -3.562 -14.604 2.628 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.131 -13.445 1.348 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -2.470 -11.122 3.339 1.00 0.73 H new ATOM 0 HG22 VAL A 39 -3.434 -10.883 1.862 1.00 0.73 H new ATOM 0 HG23 VAL A 39 -4.103 -10.423 3.446 1.00 0.73 H new ATOM 582 N ALA A 40 -7.205 -10.854 2.464 1.00 0.66 N ATOM 583 CA ALA A 40 -8.142 -9.864 3.000 1.00 0.68 C ATOM 584 C ALA A 40 -9.260 -9.524 2.005 1.00 0.64 C ATOM 585 O ALA A 40 -9.123 -9.782 0.810 1.00 0.92 O ATOM 586 CB ALA A 40 -7.364 -8.611 3.408 1.00 1.02 C ATOM 0 H ALA A 40 -7.191 -10.878 1.444 1.00 0.66 H new ATOM 0 HA ALA A 40 -8.633 -10.290 3.875 1.00 0.68 H new ATOM 0 HB1 ALA A 40 -8.054 -7.868 3.808 1.00 1.02 H new ATOM 0 HB2 ALA A 40 -6.629 -8.871 4.170 1.00 1.02 H new ATOM 0 HB3 ALA A 40 -6.854 -8.200 2.537 1.00 1.02 H new ATOM 592 N GLU A 41 -10.356 -8.965 2.523 1.00 0.65 N ATOM 593 CA GLU A 41 -11.567 -8.651 1.769 1.00 0.77 C ATOM 594 C GLU A 41 -11.585 -7.176 1.329 1.00 0.80 C ATOM 595 O GLU A 41 -11.188 -6.859 0.202 1.00 1.09 O ATOM 596 CB GLU A 41 -12.794 -9.072 2.609 1.00 0.86 C ATOM 597 CG GLU A 41 -14.082 -9.224 1.791 1.00 1.14 C ATOM 598 CD GLU A 41 -13.991 -10.438 0.869 1.00 1.91 C ATOM 599 OE1 GLU A 41 -13.427 -10.310 -0.240 1.00 2.77 O ATOM 600 OE2 GLU A 41 -14.311 -11.564 1.312 1.00 2.68 O ATOM 0 H GLU A 41 -10.425 -8.712 3.509 1.00 0.65 H new ATOM 0 HA GLU A 41 -11.595 -9.217 0.838 1.00 0.77 H new ATOM 0 HB2 GLU A 41 -12.576 -10.018 3.105 1.00 0.86 H new ATOM 0 HB3 GLU A 41 -12.957 -8.332 3.392 1.00 0.86 H new ATOM 0 HG2 GLU A 41 -14.935 -9.332 2.461 1.00 1.14 H new ATOM 0 HG3 GLU A 41 -14.253 -8.324 1.201 1.00 1.14 H new ATOM 607 N ARG A 42 -11.989 -6.231 2.197 1.00 0.78 N ATOM 608 CA ARG A 42 -12.009 -4.822 1.806 1.00 0.88 C ATOM 609 C ARG A 42 -10.596 -4.255 1.922 1.00 0.84 C ATOM 610 O ARG A 42 -10.140 -3.894 3.005 1.00 1.34 O ATOM 611 CB ARG A 42 -13.033 -3.986 2.590 1.00 1.03 C ATOM 612 CG ARG A 42 -13.273 -2.651 1.857 1.00 1.28 C ATOM 613 CD ARG A 42 -13.590 -1.479 2.787 1.00 1.53 C ATOM 614 NE ARG A 42 -14.870 -1.631 3.502 1.00 1.89 N ATOM 615 CZ ARG A 42 -15.450 -0.662 4.207 1.00 2.62 C ATOM 616 NH1 ARG A 42 -14.895 0.519 4.374 1.00 3.15 N ATOM 617 NH2 ARG A 42 -16.623 -0.858 4.771 1.00 3.58 N ATOM 0 H ARG A 42 -12.298 -6.417 3.151 1.00 0.78 H new ATOM 0 HA ARG A 42 -12.340 -4.763 0.769 1.00 0.88 H new ATOM 0 HB2 ARG A 42 -13.970 -4.535 2.686 1.00 1.03 H new ATOM 0 HB3 ARG A 42 -12.669 -3.799 3.600 1.00 1.03 H new ATOM 0 HG2 ARG A 42 -12.388 -2.406 1.270 1.00 1.28 H new ATOM 0 HG3 ARG A 42 -14.097 -2.777 1.154 1.00 1.28 H new ATOM 0 HD2 ARG A 42 -12.786 -1.374 3.515 1.00 1.53 H new ATOM 0 HD3 ARG A 42 -13.615 -0.558 2.204 1.00 1.53 H new ATOM 0 HE ARG A 42 -15.341 -2.535 3.454 1.00 1.89 H new ATOM 0 HH11 ARG A 42 -13.987 0.719 3.956 1.00 3.15 H new ATOM 0 HH12 ARG A 42 -15.373 1.234 4.922 1.00 3.15 H new ATOM 0 HH21 ARG A 42 -17.094 -1.757 4.669 1.00 3.58 H new ATOM 0 HH22 ARG A 42 -17.061 -0.111 5.310 1.00 3.58 H new ATOM 631 N VAL A 43 -9.941 -4.150 0.778 1.00 0.64 N ATOM 632 CA VAL A 43 -8.716 -3.370 0.553 1.00 0.61 C ATOM 633 C VAL A 43 -9.039 -1.892 0.244 1.00 0.67 C ATOM 634 O VAL A 43 -9.959 -1.616 -0.524 1.00 0.94 O ATOM 635 CB VAL A 43 -7.872 -4.042 -0.550 1.00 0.91 C ATOM 636 CG1 VAL A 43 -8.665 -4.262 -1.852 1.00 1.23 C ATOM 637 CG2 VAL A 43 -6.550 -3.298 -0.808 1.00 0.97 C ATOM 0 H VAL A 43 -10.257 -4.627 -0.066 1.00 0.64 H new ATOM 0 HA VAL A 43 -8.122 -3.359 1.467 1.00 0.61 H new ATOM 0 HB VAL A 43 -7.614 -5.031 -0.170 1.00 0.91 H new ATOM 0 HG11 VAL A 43 -8.023 -4.738 -2.593 1.00 1.23 H new ATOM 0 HG12 VAL A 43 -9.524 -4.903 -1.651 1.00 1.23 H new ATOM 0 HG13 VAL A 43 -9.011 -3.301 -2.234 1.00 1.23 H new ATOM 0 HG21 VAL A 43 -5.992 -3.809 -1.592 1.00 0.97 H new ATOM 0 HG22 VAL A 43 -6.763 -2.276 -1.122 1.00 0.97 H new ATOM 0 HG23 VAL A 43 -5.958 -3.281 0.107 1.00 0.97 H new ATOM 647 N GLU A 44 -8.286 -0.950 0.829 1.00 0.54 N ATOM 648 CA GLU A 44 -8.385 0.508 0.592 1.00 0.54 C ATOM 649 C GLU A 44 -6.988 1.155 0.581 1.00 0.52 C ATOM 650 O GLU A 44 -6.231 0.911 1.517 1.00 0.55 O ATOM 651 CB GLU A 44 -9.154 1.203 1.738 1.00 0.55 C ATOM 652 CG GLU A 44 -10.632 0.828 1.898 1.00 0.67 C ATOM 653 CD GLU A 44 -11.308 1.581 3.055 1.00 1.02 C ATOM 654 OE1 GLU A 44 -10.772 2.612 3.521 1.00 2.08 O ATOM 655 OE2 GLU A 44 -12.401 1.129 3.468 1.00 1.76 O ATOM 0 H GLU A 44 -7.562 -1.186 1.507 1.00 0.54 H new ATOM 0 HA GLU A 44 -8.894 0.631 -0.364 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -8.643 0.982 2.675 1.00 0.55 H new ATOM 0 HB3 GLU A 44 -9.090 2.281 1.587 1.00 0.55 H new ATOM 0 HG2 GLU A 44 -11.161 1.044 0.970 1.00 0.67 H new ATOM 0 HG3 GLU A 44 -10.715 -0.245 2.070 1.00 0.67 H new ATOM 662 N LEU A 45 -6.626 2.011 -0.393 1.00 0.49 N ATOM 663 CA LEU A 45 -5.410 2.823 -0.315 1.00 0.48 C ATOM 664 C LEU A 45 -5.632 4.101 0.507 1.00 0.45 C ATOM 665 O LEU A 45 -6.483 4.942 0.199 1.00 0.46 O ATOM 666 CB LEU A 45 -4.883 3.106 -1.732 1.00 0.51 C ATOM 667 CG LEU A 45 -3.388 3.486 -1.727 1.00 0.54 C ATOM 668 CD1 LEU A 45 -2.777 3.197 -3.089 1.00 0.56 C ATOM 669 CD2 LEU A 45 -3.109 4.970 -1.491 1.00 0.66 C ATOM 0 H LEU A 45 -7.166 2.154 -1.246 1.00 0.49 H new ATOM 0 HA LEU A 45 -4.642 2.262 0.218 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -5.031 2.225 -2.357 1.00 0.51 H new ATOM 0 HB3 LEU A 45 -5.461 3.915 -2.179 1.00 0.51 H new ATOM 0 HG LEU A 45 -2.966 2.900 -0.911 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.721 3.468 -3.079 1.00 0.56 H new ATOM 0 HD12 LEU A 45 -2.877 2.135 -3.315 1.00 0.56 H new ATOM 0 HD13 LEU A 45 -3.294 3.781 -3.851 1.00 0.56 H new ATOM 0 HD21 LEU A 45 -2.033 5.144 -1.504 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -3.581 5.559 -2.277 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -3.513 5.267 -0.523 1.00 0.66 H new ATOM 681 N HIS A 46 -4.813 4.256 1.541 1.00 0.43 N ATOM 682 CA HIS A 46 -4.770 5.403 2.441 1.00 0.42 C ATOM 683 C HIS A 46 -3.485 6.252 2.267 1.00 0.43 C ATOM 684 O HIS A 46 -2.412 5.748 1.930 1.00 0.42 O ATOM 685 CB HIS A 46 -4.904 4.915 3.901 1.00 0.45 C ATOM 686 CG HIS A 46 -6.258 4.436 4.396 1.00 0.46 C ATOM 687 ND1 HIS A 46 -6.636 4.426 5.743 1.00 0.54 N ATOM 688 CD2 HIS A 46 -7.322 3.989 3.662 1.00 0.48 C ATOM 689 CE1 HIS A 46 -7.880 3.916 5.781 1.00 0.57 C ATOM 690 NE2 HIS A 46 -8.317 3.637 4.543 1.00 0.52 N ATOM 0 H HIS A 46 -4.123 3.546 1.787 1.00 0.43 H new ATOM 0 HA HIS A 46 -5.607 6.054 2.188 1.00 0.42 H new ATOM 0 HB2 HIS A 46 -4.195 4.099 4.042 1.00 0.45 H new ATOM 0 HB3 HIS A 46 -4.585 5.730 4.551 1.00 0.45 H new ATOM 0 HD2 HIS A 46 -7.372 3.924 2.585 1.00 0.48 H new ATOM 0 HE1 HIS A 46 -8.449 3.753 6.684 1.00 0.57 H new ATOM 0 HE2 HIS A 46 -9.223 3.236 4.300 1.00 0.52 H new ATOM 698 N GLU A 47 -3.607 7.542 2.579 1.00 0.47 N ATOM 699 CA GLU A 47 -2.510 8.452 2.934 1.00 0.49 C ATOM 700 C GLU A 47 -2.190 8.338 4.434 1.00 0.54 C ATOM 701 O GLU A 47 -2.976 7.805 5.225 1.00 0.64 O ATOM 702 CB GLU A 47 -2.850 9.920 2.561 1.00 0.72 C ATOM 703 CG GLU A 47 -4.161 10.421 3.191 1.00 0.82 C ATOM 704 CD GLU A 47 -4.402 11.930 3.086 1.00 1.22 C ATOM 705 OE1 GLU A 47 -3.729 12.700 3.806 1.00 2.17 O ATOM 706 OE2 GLU A 47 -5.367 12.340 2.400 1.00 1.82 O ATOM 0 H GLU A 47 -4.515 8.006 2.593 1.00 0.47 H new ATOM 0 HA GLU A 47 -1.630 8.159 2.361 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -2.032 10.567 2.879 1.00 0.72 H new ATOM 0 HB3 GLU A 47 -2.921 10.005 1.477 1.00 0.72 H new ATOM 0 HG2 GLU A 47 -4.994 9.903 2.717 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -4.169 10.141 4.244 1.00 0.82 H new ATOM 713 N THR A 48 -1.047 8.879 4.854 1.00 0.73 N ATOM 714 CA THR A 48 -0.673 9.086 6.259 1.00 0.99 C ATOM 715 C THR A 48 0.178 10.340 6.324 1.00 1.29 C ATOM 716 O THR A 48 1.126 10.488 5.560 1.00 1.38 O ATOM 717 CB THR A 48 0.053 7.873 6.830 1.00 1.40 C ATOM 718 OG1 THR A 48 -0.854 6.805 6.746 1.00 1.48 O ATOM 719 CG2 THR A 48 0.444 8.062 8.296 1.00 1.62 C ATOM 0 H THR A 48 -0.328 9.198 4.205 1.00 0.73 H new ATOM 0 HA THR A 48 -1.565 9.211 6.873 1.00 0.99 H new ATOM 0 HB THR A 48 0.974 7.705 6.272 1.00 1.40 H new ATOM 0 HG1 THR A 48 -0.450 6.073 6.235 1.00 1.48 H new ATOM 0 HG21 THR A 48 0.958 7.170 8.653 1.00 1.62 H new ATOM 0 HG22 THR A 48 1.106 8.923 8.388 1.00 1.62 H new ATOM 0 HG23 THR A 48 -0.453 8.228 8.893 1.00 1.62 H new ATOM 727 N PHE A 49 -0.226 11.271 7.181 1.00 1.69 N ATOM 728 CA PHE A 49 0.038 12.691 6.981 1.00 1.79 C ATOM 729 C PHE A 49 0.407 13.416 8.275 1.00 1.77 C ATOM 730 O PHE A 49 0.082 12.959 9.369 1.00 1.77 O ATOM 731 CB PHE A 49 -1.234 13.306 6.371 1.00 1.78 C ATOM 732 CG PHE A 49 -2.485 13.206 7.238 1.00 1.71 C ATOM 733 CD1 PHE A 49 -2.707 14.130 8.280 1.00 2.37 C ATOM 734 CD2 PHE A 49 -3.467 12.233 6.967 1.00 2.32 C ATOM 735 CE1 PHE A 49 -3.888 14.090 9.036 1.00 2.32 C ATOM 736 CE2 PHE A 49 -4.663 12.209 7.705 1.00 2.23 C ATOM 737 CZ PHE A 49 -4.868 13.131 8.742 1.00 1.53 C ATOM 0 H PHE A 49 -0.746 11.063 8.034 1.00 1.69 H new ATOM 0 HA PHE A 49 0.898 12.803 6.321 1.00 1.79 H new ATOM 0 HB2 PHE A 49 -1.043 14.358 6.157 1.00 1.78 H new ATOM 0 HB3 PHE A 49 -1.433 12.818 5.417 1.00 1.78 H new ATOM 0 HD1 PHE A 49 -1.959 14.877 8.499 1.00 2.37 H new ATOM 0 HD2 PHE A 49 -3.300 11.503 6.189 1.00 2.32 H new ATOM 0 HE1 PHE A 49 -4.042 14.794 9.840 1.00 2.32 H new ATOM 0 HE2 PHE A 49 -5.425 11.480 7.473 1.00 2.23 H new ATOM 0 HZ PHE A 49 -5.783 13.102 9.315 1.00 1.53 H new ATOM 747 N MET A 50 0.974 14.621 8.130 1.00 1.78 N ATOM 748 CA MET A 50 0.889 15.682 9.142 1.00 1.60 C ATOM 749 C MET A 50 -0.002 16.827 8.636 1.00 1.46 C ATOM 750 O MET A 50 0.082 17.199 7.466 1.00 1.87 O ATOM 751 CB MET A 50 2.282 16.192 9.559 1.00 1.92 C ATOM 752 CG MET A 50 3.069 16.910 8.451 1.00 2.25 C ATOM 753 SD MET A 50 4.487 17.850 9.063 1.00 2.98 S ATOM 754 CE MET A 50 4.996 18.637 7.512 1.00 3.20 C ATOM 0 H MET A 50 1.507 14.888 7.303 1.00 1.78 H new ATOM 0 HA MET A 50 0.432 15.259 10.037 1.00 1.60 H new ATOM 0 HB2 MET A 50 2.166 16.874 10.401 1.00 1.92 H new ATOM 0 HB3 MET A 50 2.871 15.346 9.913 1.00 1.92 H new ATOM 0 HG2 MET A 50 3.417 16.172 7.728 1.00 2.25 H new ATOM 0 HG3 MET A 50 2.398 17.585 7.920 1.00 2.25 H new ATOM 0 HE1 MET A 50 5.868 19.265 7.692 1.00 3.20 H new ATOM 0 HE2 MET A 50 5.246 17.870 6.780 1.00 3.20 H new ATOM 0 HE3 MET A 50 4.180 19.250 7.130 1.00 3.20 H new ATOM 764 N ARG A 51 -0.852 17.375 9.506 1.00 1.24 N ATOM 765 CA ARG A 51 -1.665 18.576 9.275 1.00 1.24 C ATOM 766 C ARG A 51 -1.795 19.359 10.590 1.00 1.17 C ATOM 767 O ARG A 51 -1.680 18.778 11.675 1.00 1.19 O ATOM 768 CB ARG A 51 -3.054 18.211 8.708 1.00 1.34 C ATOM 769 CG ARG A 51 -2.987 17.723 7.248 1.00 2.76 C ATOM 770 CD ARG A 51 -4.367 17.461 6.637 1.00 2.97 C ATOM 771 NE ARG A 51 -4.248 17.041 5.223 1.00 4.57 N ATOM 772 CZ ARG A 51 -4.216 15.790 4.766 1.00 5.75 C ATOM 773 NH1 ARG A 51 -4.404 14.750 5.535 1.00 5.81 N ATOM 774 NH2 ARG A 51 -3.976 15.507 3.507 1.00 7.29 N ATOM 0 H ARG A 51 -1.001 16.978 10.434 1.00 1.24 H new ATOM 0 HA ARG A 51 -1.170 19.202 8.532 1.00 1.24 H new ATOM 0 HB2 ARG A 51 -3.503 17.434 9.327 1.00 1.34 H new ATOM 0 HB3 ARG A 51 -3.707 19.082 8.767 1.00 1.34 H new ATOM 0 HG2 ARG A 51 -2.465 18.467 6.646 1.00 2.76 H new ATOM 0 HG3 ARG A 51 -2.397 16.807 7.204 1.00 2.76 H new ATOM 0 HD2 ARG A 51 -4.881 16.688 7.208 1.00 2.97 H new ATOM 0 HD3 ARG A 51 -4.975 18.363 6.703 1.00 2.97 H new ATOM 0 HE ARG A 51 -4.184 17.785 4.528 1.00 4.57 H new ATOM 0 HH11 ARG A 51 -4.585 14.878 6.531 1.00 5.81 H new ATOM 0 HH12 ARG A 51 -4.370 13.810 5.139 1.00 5.81 H new ATOM 0 HH21 ARG A 51 -3.805 16.259 2.839 1.00 7.29 H new ATOM 0 HH22 ARG A 51 -3.960 14.535 3.197 1.00 7.29 H new ATOM 788 N GLU A 52 -2.036 20.663 10.493 1.00 1.24 N ATOM 789 CA GLU A 52 -2.227 21.541 11.648 1.00 1.25 C ATOM 790 C GLU A 52 -3.713 21.640 11.996 1.00 1.25 C ATOM 791 O GLU A 52 -4.563 21.482 11.124 1.00 1.40 O ATOM 792 CB GLU A 52 -1.601 22.919 11.387 1.00 1.52 C ATOM 793 CG GLU A 52 -0.130 22.971 11.824 1.00 2.17 C ATOM 794 CD GLU A 52 0.803 22.041 11.043 1.00 2.93 C ATOM 795 OE1 GLU A 52 0.774 20.807 11.263 1.00 3.53 O ATOM 796 OE2 GLU A 52 1.688 22.533 10.316 1.00 3.73 O ATOM 0 H GLU A 52 -2.106 21.148 9.599 1.00 1.24 H new ATOM 0 HA GLU A 52 -1.716 21.114 12.511 1.00 1.25 H new ATOM 0 HB2 GLU A 52 -1.673 23.155 10.325 1.00 1.52 H new ATOM 0 HB3 GLU A 52 -2.166 23.682 11.922 1.00 1.52 H new ATOM 0 HG2 GLU A 52 0.230 23.995 11.720 1.00 2.17 H new ATOM 0 HG3 GLU A 52 -0.070 22.718 12.883 1.00 2.17 H new ATOM 803 N VAL A 53 -4.003 21.866 13.279 1.00 1.25 N ATOM 804 CA VAL A 53 -5.373 21.933 13.826 1.00 1.43 C ATOM 805 C VAL A 53 -5.524 23.197 14.685 1.00 1.69 C ATOM 806 O VAL A 53 -5.732 24.286 14.159 1.00 2.86 O ATOM 807 CB VAL A 53 -5.777 20.610 14.532 1.00 1.48 C ATOM 808 CG1 VAL A 53 -7.256 20.627 14.960 1.00 2.04 C ATOM 809 CG2 VAL A 53 -5.566 19.377 13.631 1.00 2.26 C ATOM 0 H VAL A 53 -3.283 22.011 13.986 1.00 1.25 H new ATOM 0 HA VAL A 53 -6.093 22.027 13.013 1.00 1.43 H new ATOM 0 HB VAL A 53 -5.130 20.538 15.406 1.00 1.48 H new ATOM 0 HG11 VAL A 53 -7.504 19.686 15.451 1.00 2.04 H new ATOM 0 HG12 VAL A 53 -7.425 21.452 15.652 1.00 2.04 H new ATOM 0 HG13 VAL A 53 -7.888 20.755 14.081 1.00 2.04 H new ATOM 0 HG21 VAL A 53 -5.863 18.477 14.170 1.00 2.26 H new ATOM 0 HG22 VAL A 53 -6.172 19.477 12.730 1.00 2.26 H new ATOM 0 HG23 VAL A 53 -4.514 19.304 13.355 1.00 2.26 H new ATOM 819 N GLU A 54 -5.373 23.059 16.000 1.00 1.46 N ATOM 820 CA GLU A 54 -5.468 24.120 17.018 1.00 1.55 C ATOM 821 C GLU A 54 -4.195 25.005 17.040 1.00 1.49 C ATOM 822 O GLU A 54 -3.572 25.200 18.082 1.00 1.67 O ATOM 823 CB GLU A 54 -5.725 23.435 18.374 1.00 1.70 C ATOM 824 CG GLU A 54 -6.221 24.370 19.496 1.00 2.24 C ATOM 825 CD GLU A 54 -5.740 23.911 20.875 1.00 2.50 C ATOM 826 OE1 GLU A 54 -5.483 22.698 21.059 1.00 2.73 O ATOM 827 OE2 GLU A 54 -5.451 24.768 21.740 1.00 3.28 O ATOM 0 H GLU A 54 -5.168 22.150 16.416 1.00 1.46 H new ATOM 0 HA GLU A 54 -6.289 24.798 16.786 1.00 1.55 H new ATOM 0 HB2 GLU A 54 -6.461 22.644 18.230 1.00 1.70 H new ATOM 0 HB3 GLU A 54 -4.802 22.957 18.702 1.00 1.70 H new ATOM 0 HG2 GLU A 54 -5.867 25.384 19.307 1.00 2.24 H new ATOM 0 HG3 GLU A 54 -7.310 24.405 19.484 1.00 2.24 H new ATOM 834 N GLY A 55 -3.704 25.413 15.860 1.00 1.43 N ATOM 835 CA GLY A 55 -2.357 25.979 15.662 1.00 1.52 C ATOM 836 C GLY A 55 -1.226 24.955 15.844 1.00 1.47 C ATOM 837 O GLY A 55 -0.061 25.259 15.607 1.00 1.76 O ATOM 0 H GLY A 55 -4.243 25.358 14.996 1.00 1.43 H new ATOM 0 HA2 GLY A 55 -2.294 26.403 14.660 1.00 1.52 H new ATOM 0 HA3 GLY A 55 -2.210 26.799 16.365 1.00 1.52 H new ATOM 841 N LYS A 56 -1.564 23.734 16.262 1.00 1.28 N ATOM 842 CA LYS A 56 -0.665 22.655 16.645 1.00 1.36 C ATOM 843 C LYS A 56 -0.641 21.582 15.552 1.00 1.25 C ATOM 844 O LYS A 56 -1.657 21.345 14.890 1.00 1.10 O ATOM 845 CB LYS A 56 -1.192 22.067 17.966 1.00 1.48 C ATOM 846 CG LYS A 56 -1.096 23.052 19.145 1.00 1.98 C ATOM 847 CD LYS A 56 -1.945 22.594 20.340 1.00 2.32 C ATOM 848 CE LYS A 56 -2.247 23.790 21.250 1.00 2.67 C ATOM 849 NZ LYS A 56 -3.207 23.431 22.317 1.00 2.88 N ATOM 0 H LYS A 56 -2.542 23.459 16.346 1.00 1.28 H new ATOM 0 HA LYS A 56 0.353 23.023 16.773 1.00 1.36 H new ATOM 0 HB2 LYS A 56 -2.232 21.767 17.834 1.00 1.48 H new ATOM 0 HB3 LYS A 56 -0.628 21.166 18.206 1.00 1.48 H new ATOM 0 HG2 LYS A 56 -0.055 23.149 19.454 1.00 1.98 H new ATOM 0 HG3 LYS A 56 -1.426 24.039 18.822 1.00 1.98 H new ATOM 0 HD2 LYS A 56 -2.876 22.149 19.988 1.00 2.32 H new ATOM 0 HD3 LYS A 56 -1.415 21.823 20.900 1.00 2.32 H new ATOM 0 HE2 LYS A 56 -1.321 24.150 21.698 1.00 2.67 H new ATOM 0 HE3 LYS A 56 -2.652 24.608 20.655 1.00 2.67 H new ATOM 0 HZ1 LYS A 56 -3.835 24.238 22.505 1.00 2.88 H new ATOM 0 HZ2 LYS A 56 -3.774 22.614 22.013 1.00 2.88 H new ATOM 0 HZ3 LYS A 56 -2.687 23.188 23.184 1.00 2.88 H new ATOM 863 N LYS A 57 0.506 20.920 15.378 1.00 1.43 N ATOM 864 CA LYS A 57 0.672 19.821 14.416 1.00 1.43 C ATOM 865 C LYS A 57 0.029 18.520 14.938 1.00 1.40 C ATOM 866 O LYS A 57 0.183 18.200 16.114 1.00 1.77 O ATOM 867 CB LYS A 57 2.167 19.605 14.095 1.00 1.86 C ATOM 868 CG LYS A 57 2.931 20.903 13.761 1.00 2.13 C ATOM 869 CD LYS A 57 4.297 20.684 13.089 1.00 2.84 C ATOM 870 CE LYS A 57 4.272 19.896 11.766 1.00 3.49 C ATOM 871 NZ LYS A 57 3.457 20.540 10.707 1.00 4.01 N ATOM 0 H LYS A 57 1.354 21.132 15.904 1.00 1.43 H new ATOM 0 HA LYS A 57 0.158 20.098 13.495 1.00 1.43 H new ATOM 0 HB2 LYS A 57 2.645 19.123 14.948 1.00 1.86 H new ATOM 0 HB3 LYS A 57 2.252 18.919 13.252 1.00 1.86 H new ATOM 0 HG2 LYS A 57 2.312 21.516 13.106 1.00 2.13 H new ATOM 0 HG3 LYS A 57 3.079 21.469 14.680 1.00 2.13 H new ATOM 0 HD2 LYS A 57 4.750 21.658 12.902 1.00 2.84 H new ATOM 0 HD3 LYS A 57 4.946 20.160 13.790 1.00 2.84 H new ATOM 0 HE2 LYS A 57 5.293 19.776 11.405 1.00 3.49 H new ATOM 0 HE3 LYS A 57 3.882 18.896 11.956 1.00 3.49 H new ATOM 0 HZ1 LYS A 57 3.840 20.288 9.773 1.00 4.01 H new ATOM 0 HZ2 LYS A 57 2.473 20.211 10.778 1.00 4.01 H new ATOM 0 HZ3 LYS A 57 3.486 21.573 10.826 1.00 4.01 H new ATOM 885 N VAL A 58 -0.657 17.774 14.070 1.00 1.18 N ATOM 886 CA VAL A 58 -1.329 16.490 14.360 1.00 1.20 C ATOM 887 C VAL A 58 -1.060 15.504 13.209 1.00 1.17 C ATOM 888 O VAL A 58 -0.838 15.939 12.077 1.00 1.17 O ATOM 889 CB VAL A 58 -2.850 16.701 14.569 1.00 1.20 C ATOM 890 CG1 VAL A 58 -3.589 15.402 14.932 1.00 1.62 C ATOM 891 CG2 VAL A 58 -3.136 17.733 15.678 1.00 1.56 C ATOM 0 H VAL A 58 -0.769 18.056 13.096 1.00 1.18 H new ATOM 0 HA VAL A 58 -0.927 16.074 15.284 1.00 1.20 H new ATOM 0 HB VAL A 58 -3.219 17.065 13.610 1.00 1.20 H new ATOM 0 HG11 VAL A 58 -4.650 15.612 15.066 1.00 1.62 H new ATOM 0 HG12 VAL A 58 -3.462 14.675 14.130 1.00 1.62 H new ATOM 0 HG13 VAL A 58 -3.180 14.997 15.857 1.00 1.62 H new ATOM 0 HG21 VAL A 58 -4.213 17.853 15.794 1.00 1.56 H new ATOM 0 HG22 VAL A 58 -2.706 17.386 16.618 1.00 1.56 H new ATOM 0 HG23 VAL A 58 -2.691 18.691 15.407 1.00 1.56 H new ATOM 901 N MET A 59 -1.051 14.192 13.479 1.00 1.35 N ATOM 902 CA MET A 59 -0.812 13.141 12.477 1.00 1.33 C ATOM 903 C MET A 59 -1.918 12.080 12.491 1.00 1.39 C ATOM 904 O MET A 59 -2.460 11.755 13.545 1.00 1.57 O ATOM 905 CB MET A 59 0.560 12.492 12.701 1.00 1.43 C ATOM 906 CG MET A 59 1.693 13.440 12.279 1.00 1.98 C ATOM 907 SD MET A 59 3.278 13.163 13.101 1.00 2.90 S ATOM 908 CE MET A 59 2.820 13.731 14.758 1.00 3.51 C ATOM 0 H MET A 59 -1.212 13.823 14.416 1.00 1.35 H new ATOM 0 HA MET A 59 -0.824 13.612 11.494 1.00 1.33 H new ATOM 0 HB2 MET A 59 0.674 12.228 13.752 1.00 1.43 H new ATOM 0 HB3 MET A 59 0.625 11.565 12.131 1.00 1.43 H new ATOM 0 HG2 MET A 59 1.840 13.348 11.203 1.00 1.98 H new ATOM 0 HG3 MET A 59 1.377 14.465 12.471 1.00 1.98 H new ATOM 0 HE1 MET A 59 3.720 13.994 15.314 1.00 3.51 H new ATOM 0 HE2 MET A 59 2.175 14.606 14.677 1.00 3.51 H new ATOM 0 HE3 MET A 59 2.289 12.936 15.281 1.00 3.51 H new ATOM 918 N GLY A 60 -2.245 11.539 11.312 1.00 1.42 N ATOM 919 CA GLY A 60 -3.313 10.552 11.118 1.00 1.53 C ATOM 920 C GLY A 60 -3.301 9.906 9.733 1.00 1.27 C ATOM 921 O GLY A 60 -2.388 10.146 8.946 1.00 1.50 O ATOM 0 H GLY A 60 -1.763 11.781 10.446 1.00 1.42 H new ATOM 0 HA2 GLY A 60 -3.219 9.773 11.875 1.00 1.53 H new ATOM 0 HA3 GLY A 60 -4.277 11.035 11.277 1.00 1.53 H new ATOM 925 N MET A 61 -4.323 9.092 9.447 1.00 1.01 N ATOM 926 CA MET A 61 -4.504 8.319 8.205 1.00 0.84 C ATOM 927 C MET A 61 -5.847 8.659 7.532 1.00 0.66 C ATOM 928 O MET A 61 -6.688 9.333 8.132 1.00 0.70 O ATOM 929 CB MET A 61 -4.416 6.806 8.496 1.00 0.97 C ATOM 930 CG MET A 61 -3.127 6.400 9.226 1.00 1.23 C ATOM 931 SD MET A 61 -3.157 6.591 11.029 1.00 1.86 S ATOM 932 CE MET A 61 -1.391 6.380 11.356 1.00 1.83 C ATOM 0 H MET A 61 -5.087 8.944 10.106 1.00 1.01 H new ATOM 0 HA MET A 61 -3.703 8.591 7.518 1.00 0.84 H new ATOM 0 HB2 MET A 61 -5.275 6.509 9.098 1.00 0.97 H new ATOM 0 HB3 MET A 61 -4.480 6.258 7.556 1.00 0.97 H new ATOM 0 HG2 MET A 61 -2.911 5.358 8.992 1.00 1.23 H new ATOM 0 HG3 MET A 61 -2.303 6.993 8.829 1.00 1.23 H new ATOM 0 HE1 MET A 61 -1.228 6.288 12.430 1.00 1.83 H new ATOM 0 HE2 MET A 61 -1.033 5.480 10.856 1.00 1.83 H new ATOM 0 HE3 MET A 61 -0.845 7.245 10.980 1.00 1.83 H new ATOM 942 N ARG A 62 -6.052 8.228 6.279 1.00 0.68 N ATOM 943 CA ARG A 62 -7.219 8.612 5.459 1.00 0.49 C ATOM 944 C ARG A 62 -7.243 7.867 4.109 1.00 0.42 C ATOM 945 O ARG A 62 -6.220 7.928 3.435 1.00 0.43 O ATOM 946 CB ARG A 62 -7.142 10.130 5.168 1.00 0.83 C ATOM 947 CG ARG A 62 -8.438 10.894 5.462 1.00 1.33 C ATOM 948 CD ARG A 62 -8.369 12.350 4.952 1.00 1.58 C ATOM 949 NE ARG A 62 -7.979 12.442 3.530 1.00 2.40 N ATOM 950 CZ ARG A 62 -8.549 11.821 2.507 1.00 3.15 C ATOM 951 NH1 ARG A 62 -9.752 11.291 2.567 1.00 3.53 N ATOM 952 NH2 ARG A 62 -7.845 11.680 1.414 1.00 4.43 N ATOM 0 H ARG A 62 -5.410 7.598 5.799 1.00 0.68 H new ATOM 0 HA ARG A 62 -8.120 8.352 6.015 1.00 0.49 H new ATOM 0 HB2 ARG A 62 -6.337 10.562 5.762 1.00 0.83 H new ATOM 0 HB3 ARG A 62 -6.878 10.275 4.120 1.00 0.83 H new ATOM 0 HG2 ARG A 62 -9.277 10.382 4.991 1.00 1.33 H new ATOM 0 HG3 ARG A 62 -8.626 10.893 6.536 1.00 1.33 H new ATOM 0 HD2 ARG A 62 -9.341 12.824 5.089 1.00 1.58 H new ATOM 0 HD3 ARG A 62 -7.654 12.908 5.557 1.00 1.58 H new ATOM 0 HE ARG A 62 -7.187 13.047 3.312 1.00 2.40 H new ATOM 0 HH11 ARG A 62 -10.292 11.348 3.431 1.00 3.53 H new ATOM 0 HH12 ARG A 62 -10.145 10.824 1.750 1.00 3.53 H new ATOM 0 HH21 ARG A 62 -6.892 12.042 1.371 1.00 4.43 H new ATOM 0 HH22 ARG A 62 -8.248 11.208 0.605 1.00 4.43 H new ATOM 966 N PRO A 63 -8.349 7.254 3.638 1.00 0.44 N ATOM 967 CA PRO A 63 -8.414 6.710 2.279 1.00 0.44 C ATOM 968 C PRO A 63 -8.387 7.804 1.206 1.00 0.43 C ATOM 969 O PRO A 63 -8.986 8.867 1.367 1.00 0.49 O ATOM 970 CB PRO A 63 -9.660 5.833 2.189 1.00 0.49 C ATOM 971 CG PRO A 63 -10.508 6.288 3.367 1.00 0.56 C ATOM 972 CD PRO A 63 -9.553 6.926 4.378 1.00 0.49 C ATOM 0 HA PRO A 63 -7.526 6.109 2.081 1.00 0.44 H new ATOM 0 HB2 PRO A 63 -10.181 5.974 1.242 1.00 0.49 H new ATOM 0 HB3 PRO A 63 -9.410 4.774 2.261 1.00 0.49 H new ATOM 0 HG2 PRO A 63 -11.265 7.003 3.045 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -11.036 5.445 3.812 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -9.994 7.819 4.822 1.00 0.49 H new ATOM 0 HD3 PRO A 63 -9.334 6.239 5.195 1.00 0.49 H new ATOM 980 N VAL A 64 -7.698 7.512 0.101 1.00 0.41 N ATOM 981 CA VAL A 64 -7.545 8.377 -1.086 1.00 0.40 C ATOM 982 C VAL A 64 -8.096 7.672 -2.337 1.00 0.41 C ATOM 983 O VAL A 64 -8.203 6.446 -2.337 1.00 0.41 O ATOM 984 CB VAL A 64 -6.063 8.757 -1.343 1.00 0.44 C ATOM 985 CG1 VAL A 64 -5.641 9.919 -0.438 1.00 0.52 C ATOM 986 CG2 VAL A 64 -5.088 7.586 -1.176 1.00 0.49 C ATOM 0 H VAL A 64 -7.205 6.625 -0.002 1.00 0.41 H new ATOM 0 HA VAL A 64 -8.108 9.289 -0.886 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.010 9.060 -2.389 1.00 0.44 H new ATOM 0 HG11 VAL A 64 -4.599 10.172 -0.632 1.00 0.52 H new ATOM 0 HG12 VAL A 64 -6.269 10.786 -0.643 1.00 0.52 H new ATOM 0 HG13 VAL A 64 -5.755 9.627 0.606 1.00 0.52 H new ATOM 0 HG21 VAL A 64 -4.072 7.928 -1.372 1.00 0.49 H new ATOM 0 HG22 VAL A 64 -5.152 7.202 -0.158 1.00 0.49 H new ATOM 0 HG23 VAL A 64 -5.346 6.794 -1.880 1.00 0.49 H new ATOM 996 N PRO A 65 -8.419 8.414 -3.417 1.00 0.48 N ATOM 997 CA PRO A 65 -8.861 7.816 -4.670 1.00 0.56 C ATOM 998 C PRO A 65 -7.722 7.145 -5.455 1.00 0.54 C ATOM 999 O PRO A 65 -8.029 6.305 -6.296 1.00 0.58 O ATOM 1000 CB PRO A 65 -9.491 8.968 -5.460 1.00 0.67 C ATOM 1001 CG PRO A 65 -8.704 10.186 -4.986 1.00 0.66 C ATOM 1002 CD PRO A 65 -8.464 9.870 -3.510 1.00 0.56 C ATOM 0 HA PRO A 65 -9.567 7.007 -4.485 1.00 0.56 H new ATOM 0 HB2 PRO A 65 -9.394 8.819 -6.535 1.00 0.67 H new ATOM 0 HB3 PRO A 65 -10.555 9.068 -5.247 1.00 0.67 H new ATOM 0 HG2 PRO A 65 -7.769 10.303 -5.533 1.00 0.66 H new ATOM 0 HG3 PRO A 65 -9.268 11.110 -5.117 1.00 0.66 H new ATOM 0 HD2 PRO A 65 -7.531 10.313 -3.162 1.00 0.56 H new ATOM 0 HD3 PRO A 65 -9.261 10.277 -2.888 1.00 0.56 H new ATOM 1010 N PHE A 66 -6.443 7.482 -5.204 1.00 0.52 N ATOM 1011 CA PHE A 66 -5.284 6.959 -5.936 1.00 0.53 C ATOM 1012 C PHE A 66 -3.954 7.467 -5.350 1.00 0.58 C ATOM 1013 O PHE A 66 -3.903 8.414 -4.566 1.00 0.67 O ATOM 1014 CB PHE A 66 -5.373 7.240 -7.456 1.00 0.57 C ATOM 1015 CG PHE A 66 -5.504 8.688 -7.879 1.00 0.61 C ATOM 1016 CD1 PHE A 66 -4.361 9.502 -8.002 1.00 1.81 C ATOM 1017 CD2 PHE A 66 -6.769 9.211 -8.210 1.00 1.52 C ATOM 1018 CE1 PHE A 66 -4.485 10.831 -8.438 1.00 1.83 C ATOM 1019 CE2 PHE A 66 -6.892 10.542 -8.646 1.00 1.57 C ATOM 1020 CZ PHE A 66 -5.749 11.352 -8.761 1.00 0.78 C ATOM 0 H PHE A 66 -6.186 8.141 -4.469 1.00 0.52 H new ATOM 0 HA PHE A 66 -5.304 5.877 -5.809 1.00 0.53 H new ATOM 0 HB2 PHE A 66 -4.482 6.828 -7.930 1.00 0.57 H new ATOM 0 HB3 PHE A 66 -6.228 6.692 -7.853 1.00 0.57 H new ATOM 0 HD1 PHE A 66 -3.387 9.103 -7.760 1.00 1.81 H new ATOM 0 HD2 PHE A 66 -7.647 8.588 -8.129 1.00 1.52 H new ATOM 0 HE1 PHE A 66 -3.607 11.454 -8.525 1.00 1.83 H new ATOM 0 HE2 PHE A 66 -7.864 10.942 -8.892 1.00 1.57 H new ATOM 0 HZ PHE A 66 -5.842 12.374 -9.097 1.00 0.78 H new ATOM 1030 N LEU A 67 -2.873 6.836 -5.809 1.00 0.57 N ATOM 1031 CA LEU A 67 -1.511 7.359 -5.902 1.00 0.58 C ATOM 1032 C LEU A 67 -1.093 7.414 -7.378 1.00 0.55 C ATOM 1033 O LEU A 67 -1.794 6.887 -8.241 1.00 0.52 O ATOM 1034 CB LEU A 67 -0.559 6.426 -5.128 1.00 0.61 C ATOM 1035 CG LEU A 67 -0.111 6.957 -3.760 1.00 0.67 C ATOM 1036 CD1 LEU A 67 0.870 5.917 -3.199 1.00 1.08 C ATOM 1037 CD2 LEU A 67 0.615 8.311 -3.853 1.00 0.87 C ATOM 0 H LEU A 67 -2.931 5.876 -6.150 1.00 0.57 H new ATOM 0 HA LEU A 67 -1.466 8.361 -5.474 1.00 0.58 H new ATOM 0 HB2 LEU A 67 -1.052 5.464 -4.985 1.00 0.61 H new ATOM 0 HB3 LEU A 67 0.325 6.244 -5.739 1.00 0.61 H new ATOM 0 HG LEU A 67 -0.988 7.111 -3.131 1.00 0.67 H new ATOM 0 HD11 LEU A 67 1.225 6.242 -2.221 1.00 1.08 H new ATOM 0 HD12 LEU A 67 0.365 4.956 -3.101 1.00 1.08 H new ATOM 0 HD13 LEU A 67 1.718 5.814 -3.877 1.00 1.08 H new ATOM 0 HD21 LEU A 67 0.908 8.636 -2.855 1.00 0.87 H new ATOM 0 HD22 LEU A 67 1.503 8.205 -4.476 1.00 0.87 H new ATOM 0 HD23 LEU A 67 -0.052 9.052 -4.295 1.00 0.87 H new ATOM 1049 N GLU A 68 0.072 7.980 -7.690 1.00 0.60 N ATOM 1050 CA GLU A 68 0.591 8.006 -9.063 1.00 0.59 C ATOM 1051 C GLU A 68 2.104 8.165 -9.117 1.00 0.66 C ATOM 1052 O GLU A 68 2.732 8.449 -8.102 1.00 0.75 O ATOM 1053 CB GLU A 68 -0.166 9.033 -9.918 1.00 0.66 C ATOM 1054 CG GLU A 68 0.255 10.493 -9.788 1.00 0.84 C ATOM 1055 CD GLU A 68 -0.657 11.276 -10.725 1.00 1.03 C ATOM 1056 OE1 GLU A 68 -1.863 11.378 -10.422 1.00 1.71 O ATOM 1057 OE2 GLU A 68 -0.246 11.621 -11.850 1.00 1.96 O ATOM 0 H GLU A 68 0.681 8.431 -7.007 1.00 0.60 H new ATOM 0 HA GLU A 68 0.400 7.029 -9.507 1.00 0.59 H new ATOM 0 HB2 GLU A 68 -0.063 8.743 -10.964 1.00 0.66 H new ATOM 0 HB3 GLU A 68 -1.225 8.963 -9.671 1.00 0.66 H new ATOM 0 HG2 GLU A 68 0.149 10.840 -8.760 1.00 0.84 H new ATOM 0 HG3 GLU A 68 1.302 10.624 -10.062 1.00 0.84 H new ATOM 1064 N VAL A 69 2.682 7.923 -10.295 1.00 0.67 N ATOM 1065 CA VAL A 69 4.130 7.809 -10.492 1.00 0.72 C ATOM 1066 C VAL A 69 4.489 8.324 -11.888 1.00 0.71 C ATOM 1067 O VAL A 69 3.853 7.893 -12.852 1.00 0.72 O ATOM 1068 CB VAL A 69 4.629 6.340 -10.378 1.00 0.81 C ATOM 1069 CG1 VAL A 69 6.133 6.298 -10.054 1.00 0.79 C ATOM 1070 CG2 VAL A 69 3.894 5.498 -9.323 1.00 0.92 C ATOM 0 H VAL A 69 2.148 7.798 -11.155 1.00 0.67 H new ATOM 0 HA VAL A 69 4.610 8.397 -9.710 1.00 0.72 H new ATOM 0 HB VAL A 69 4.418 5.903 -11.354 1.00 0.81 H new ATOM 0 HG11 VAL A 69 6.460 5.261 -9.979 1.00 0.79 H new ATOM 0 HG12 VAL A 69 6.690 6.798 -10.847 1.00 0.79 H new ATOM 0 HG13 VAL A 69 6.315 6.805 -9.107 1.00 0.79 H new ATOM 0 HG21 VAL A 69 4.306 4.489 -9.312 1.00 0.92 H new ATOM 0 HG22 VAL A 69 4.022 5.953 -8.341 1.00 0.92 H new ATOM 0 HG23 VAL A 69 2.833 5.454 -9.567 1.00 0.92 H new ATOM 1080 N PRO A 70 5.506 9.189 -12.045 1.00 0.73 N ATOM 1081 CA PRO A 70 6.010 9.540 -13.362 1.00 0.75 C ATOM 1082 C PRO A 70 6.758 8.350 -13.996 1.00 0.72 C ATOM 1083 O PRO A 70 7.095 7.388 -13.300 1.00 0.72 O ATOM 1084 CB PRO A 70 6.915 10.752 -13.139 1.00 0.82 C ATOM 1085 CG PRO A 70 7.436 10.551 -11.718 1.00 0.82 C ATOM 1086 CD PRO A 70 6.273 9.861 -11.004 1.00 0.78 C ATOM 0 HA PRO A 70 5.211 9.781 -14.063 1.00 0.75 H new ATOM 0 HB2 PRO A 70 7.728 10.784 -13.864 1.00 0.82 H new ATOM 0 HB3 PRO A 70 6.364 11.688 -13.236 1.00 0.82 H new ATOM 0 HG2 PRO A 70 8.336 9.937 -11.704 1.00 0.82 H new ATOM 0 HG3 PRO A 70 7.690 11.500 -11.246 1.00 0.82 H new ATOM 0 HD2 PRO A 70 6.637 9.147 -10.265 1.00 0.78 H new ATOM 0 HD3 PRO A 70 5.657 10.585 -10.471 1.00 0.78 H new ATOM 1094 N PRO A 71 7.036 8.398 -15.310 1.00 0.74 N ATOM 1095 CA PRO A 71 7.895 7.431 -15.979 1.00 0.71 C ATOM 1096 C PRO A 71 9.302 7.443 -15.388 1.00 0.69 C ATOM 1097 O PRO A 71 9.826 8.505 -15.059 1.00 0.75 O ATOM 1098 CB PRO A 71 7.845 7.782 -17.462 1.00 0.78 C ATOM 1099 CG PRO A 71 7.330 9.216 -17.533 1.00 0.84 C ATOM 1100 CD PRO A 71 6.559 9.410 -16.235 1.00 0.80 C ATOM 0 HA PRO A 71 7.555 6.405 -15.836 1.00 0.71 H new ATOM 0 HB2 PRO A 71 8.832 7.698 -17.917 1.00 0.78 H new ATOM 0 HB3 PRO A 71 7.186 7.103 -18.003 1.00 0.78 H new ATOM 0 HG2 PRO A 71 8.151 9.928 -17.617 1.00 0.84 H new ATOM 0 HG3 PRO A 71 6.688 9.365 -18.402 1.00 0.84 H new ATOM 0 HD2 PRO A 71 6.724 10.410 -15.833 1.00 0.80 H new ATOM 0 HD3 PRO A 71 5.487 9.306 -16.403 1.00 0.80 H new ATOM 1108 N LYS A 72 9.887 6.246 -15.212 1.00 0.67 N ATOM 1109 CA LYS A 72 11.216 6.008 -14.608 1.00 0.70 C ATOM 1110 C LYS A 72 11.281 6.320 -13.098 1.00 0.75 C ATOM 1111 O LYS A 72 12.321 6.131 -12.468 1.00 0.82 O ATOM 1112 CB LYS A 72 12.319 6.737 -15.397 1.00 0.75 C ATOM 1113 CG LYS A 72 12.159 6.671 -16.924 1.00 0.94 C ATOM 1114 CD LYS A 72 12.109 5.249 -17.509 1.00 0.82 C ATOM 1115 CE LYS A 72 11.701 5.334 -18.981 1.00 1.07 C ATOM 1116 NZ LYS A 72 11.617 4.005 -19.630 1.00 1.36 N ATOM 0 H LYS A 72 9.431 5.380 -15.497 1.00 0.67 H new ATOM 0 HA LYS A 72 11.396 4.935 -14.682 1.00 0.70 H new ATOM 0 HB2 LYS A 72 12.336 7.783 -15.091 1.00 0.75 H new ATOM 0 HB3 LYS A 72 13.285 6.310 -15.127 1.00 0.75 H new ATOM 0 HG2 LYS A 72 11.244 7.195 -17.202 1.00 0.94 H new ATOM 0 HG3 LYS A 72 12.987 7.209 -17.385 1.00 0.94 H new ATOM 0 HD2 LYS A 72 13.083 4.768 -17.415 1.00 0.82 H new ATOM 0 HD3 LYS A 72 11.396 4.638 -16.955 1.00 0.82 H new ATOM 0 HE2 LYS A 72 10.735 5.833 -19.057 1.00 1.07 H new ATOM 0 HE3 LYS A 72 12.421 5.951 -19.518 1.00 1.07 H new ATOM 0 HZ1 LYS A 72 12.395 3.902 -20.312 1.00 1.36 H new ATOM 0 HZ2 LYS A 72 11.690 3.261 -18.907 1.00 1.36 H new ATOM 0 HZ3 LYS A 72 10.707 3.918 -20.126 1.00 1.36 H new ATOM 1130 N GLY A 73 10.180 6.811 -12.524 1.00 0.78 N ATOM 1131 CA GLY A 73 10.055 7.253 -11.143 1.00 0.89 C ATOM 1132 C GLY A 73 9.629 6.151 -10.194 1.00 0.87 C ATOM 1133 O GLY A 73 9.524 4.978 -10.542 1.00 0.99 O ATOM 0 H GLY A 73 9.308 6.914 -13.043 1.00 0.78 H new ATOM 0 HA2 GLY A 73 11.011 7.658 -10.811 1.00 0.89 H new ATOM 0 HA3 GLY A 73 9.330 8.065 -11.094 1.00 0.89 H new ATOM 1137 N ARG A 74 9.368 6.592 -8.971 1.00 1.70 N ATOM 1138 CA ARG A 74 9.115 5.764 -7.794 1.00 1.74 C ATOM 1139 C ARG A 74 8.222 6.480 -6.784 1.00 1.95 C ATOM 1140 O ARG A 74 8.299 7.695 -6.634 1.00 2.38 O ATOM 1141 CB ARG A 74 10.472 5.402 -7.152 1.00 2.12 C ATOM 1142 CG ARG A 74 10.354 4.573 -5.862 1.00 2.43 C ATOM 1143 CD ARG A 74 11.687 4.381 -5.148 1.00 2.71 C ATOM 1144 NE ARG A 74 12.641 3.558 -5.899 1.00 2.60 N ATOM 1145 CZ ARG A 74 13.795 3.126 -5.425 1.00 3.30 C ATOM 1146 NH1 ARG A 74 14.266 3.539 -4.263 1.00 4.83 N ATOM 1147 NH2 ARG A 74 14.458 2.243 -6.129 1.00 3.22 N ATOM 0 H ARG A 74 9.324 7.589 -8.759 1.00 1.70 H new ATOM 0 HA ARG A 74 8.588 4.860 -8.101 1.00 1.74 H new ATOM 0 HB2 ARG A 74 11.067 4.846 -7.876 1.00 2.12 H new ATOM 0 HB3 ARG A 74 11.015 6.321 -6.932 1.00 2.12 H new ATOM 0 HG2 ARG A 74 9.654 5.063 -5.185 1.00 2.43 H new ATOM 0 HG3 ARG A 74 9.934 3.596 -6.102 1.00 2.43 H new ATOM 0 HD2 ARG A 74 12.132 5.358 -4.959 1.00 2.71 H new ATOM 0 HD3 ARG A 74 11.507 3.919 -4.177 1.00 2.71 H new ATOM 0 HE ARG A 74 12.395 3.301 -6.855 1.00 2.60 H new ATOM 0 HH11 ARG A 74 13.735 4.209 -3.707 1.00 4.83 H new ATOM 0 HH12 ARG A 74 15.161 3.188 -3.922 1.00 4.83 H new ATOM 0 HH21 ARG A 74 14.080 1.909 -7.016 1.00 3.22 H new ATOM 0 HH22 ARG A 74 15.353 1.889 -5.791 1.00 3.22 H new ATOM 1161 N VAL A 75 7.435 5.694 -6.056 1.00 1.72 N ATOM 1162 CA VAL A 75 6.792 6.065 -4.789 1.00 1.73 C ATOM 1163 C VAL A 75 6.949 4.905 -3.806 1.00 1.38 C ATOM 1164 O VAL A 75 6.844 3.750 -4.213 1.00 1.39 O ATOM 1165 CB VAL A 75 5.289 6.381 -4.976 1.00 1.91 C ATOM 1166 CG1 VAL A 75 5.096 7.704 -5.733 1.00 2.35 C ATOM 1167 CG2 VAL A 75 4.523 5.252 -5.697 1.00 1.73 C ATOM 0 H VAL A 75 7.215 4.739 -6.340 1.00 1.72 H new ATOM 0 HA VAL A 75 7.273 6.966 -4.409 1.00 1.73 H new ATOM 0 HB VAL A 75 4.871 6.470 -3.973 1.00 1.91 H new ATOM 0 HG11 VAL A 75 4.031 7.903 -5.852 1.00 2.35 H new ATOM 0 HG12 VAL A 75 5.557 8.516 -5.170 1.00 2.35 H new ATOM 0 HG13 VAL A 75 5.563 7.633 -6.715 1.00 2.35 H new ATOM 0 HG21 VAL A 75 3.474 5.531 -5.799 1.00 1.73 H new ATOM 0 HG22 VAL A 75 4.954 5.094 -6.686 1.00 1.73 H new ATOM 0 HG23 VAL A 75 4.599 4.333 -5.117 1.00 1.73 H new ATOM 1177 N GLU A 76 7.177 5.175 -2.518 1.00 1.28 N ATOM 1178 CA GLU A 76 7.050 4.140 -1.490 1.00 1.17 C ATOM 1179 C GLU A 76 5.774 4.370 -0.681 1.00 1.12 C ATOM 1180 O GLU A 76 5.596 5.411 -0.040 1.00 1.23 O ATOM 1181 CB GLU A 76 8.272 4.018 -0.563 1.00 1.31 C ATOM 1182 CG GLU A 76 9.646 4.069 -1.250 1.00 1.88 C ATOM 1183 CD GLU A 76 10.098 5.477 -1.651 1.00 2.95 C ATOM 1184 OE1 GLU A 76 9.580 6.463 -1.072 1.00 3.82 O ATOM 1185 OE2 GLU A 76 10.985 5.571 -2.520 1.00 3.54 O ATOM 0 H GLU A 76 7.448 6.093 -2.165 1.00 1.28 H new ATOM 0 HA GLU A 76 6.994 3.187 -2.016 1.00 1.17 H new ATOM 0 HB2 GLU A 76 8.226 4.820 0.174 1.00 1.31 H new ATOM 0 HB3 GLU A 76 8.196 3.078 -0.016 1.00 1.31 H new ATOM 0 HG2 GLU A 76 10.390 3.638 -0.580 1.00 1.88 H new ATOM 0 HG3 GLU A 76 9.617 3.442 -2.141 1.00 1.88 H new ATOM 1192 N LEU A 77 4.924 3.344 -0.662 1.00 0.99 N ATOM 1193 CA LEU A 77 3.850 3.161 0.297 1.00 0.89 C ATOM 1194 C LEU A 77 4.474 2.804 1.653 1.00 0.88 C ATOM 1195 O LEU A 77 4.427 1.670 2.130 1.00 1.18 O ATOM 1196 CB LEU A 77 2.818 2.132 -0.208 1.00 0.80 C ATOM 1197 CG LEU A 77 1.978 2.593 -1.420 1.00 0.75 C ATOM 1198 CD1 LEU A 77 2.687 2.376 -2.768 1.00 0.75 C ATOM 1199 CD2 LEU A 77 0.645 1.832 -1.428 1.00 0.77 C ATOM 0 H LEU A 77 4.972 2.589 -1.346 1.00 0.99 H new ATOM 0 HA LEU A 77 3.281 4.083 0.422 1.00 0.89 H new ATOM 0 HB2 LEU A 77 3.343 1.215 -0.476 1.00 0.80 H new ATOM 0 HB3 LEU A 77 2.142 1.885 0.611 1.00 0.80 H new ATOM 0 HG LEU A 77 1.822 3.666 -1.309 1.00 0.75 H new ATOM 0 HD11 LEU A 77 2.043 2.721 -3.577 1.00 0.75 H new ATOM 0 HD12 LEU A 77 3.621 2.938 -2.783 1.00 0.75 H new ATOM 0 HD13 LEU A 77 2.900 1.315 -2.900 1.00 0.75 H new ATOM 0 HD21 LEU A 77 0.048 2.153 -2.281 1.00 0.77 H new ATOM 0 HD22 LEU A 77 0.838 0.762 -1.502 1.00 0.77 H new ATOM 0 HD23 LEU A 77 0.102 2.040 -0.506 1.00 0.77 H new ATOM 1211 N LYS A 78 5.130 3.812 2.227 1.00 0.85 N ATOM 1212 CA LYS A 78 5.745 3.831 3.546 1.00 0.87 C ATOM 1213 C LYS A 78 4.670 4.111 4.617 1.00 0.78 C ATOM 1214 O LYS A 78 3.775 4.913 4.349 1.00 0.77 O ATOM 1215 CB LYS A 78 6.862 4.902 3.525 1.00 0.98 C ATOM 1216 CG LYS A 78 6.337 6.345 3.315 1.00 1.03 C ATOM 1217 CD LYS A 78 7.397 7.380 2.907 1.00 1.29 C ATOM 1218 CE LYS A 78 7.951 7.028 1.523 1.00 2.07 C ATOM 1219 NZ LYS A 78 8.774 8.086 0.898 1.00 2.89 N ATOM 0 H LYS A 78 5.252 4.701 1.743 1.00 0.85 H new ATOM 0 HA LYS A 78 6.190 2.868 3.799 1.00 0.87 H new ATOM 0 HB2 LYS A 78 7.413 4.858 4.465 1.00 0.98 H new ATOM 0 HB3 LYS A 78 7.568 4.662 2.730 1.00 0.98 H new ATOM 0 HG2 LYS A 78 5.561 6.323 2.549 1.00 1.03 H new ATOM 0 HG3 LYS A 78 5.864 6.679 4.238 1.00 1.03 H new ATOM 0 HD2 LYS A 78 6.959 8.378 2.892 1.00 1.29 H new ATOM 0 HD3 LYS A 78 8.204 7.397 3.639 1.00 1.29 H new ATOM 0 HE2 LYS A 78 8.551 6.122 1.607 1.00 2.07 H new ATOM 0 HE3 LYS A 78 7.117 6.797 0.861 1.00 2.07 H new ATOM 0 HZ1 LYS A 78 9.397 7.663 0.180 1.00 2.89 H new ATOM 0 HZ2 LYS A 78 8.153 8.788 0.447 1.00 2.89 H new ATOM 0 HZ3 LYS A 78 9.352 8.552 1.626 1.00 2.89 H new ATOM 1233 N PRO A 79 4.769 3.533 5.834 1.00 0.76 N ATOM 1234 CA PRO A 79 3.773 3.716 6.890 1.00 0.73 C ATOM 1235 C PRO A 79 3.520 5.194 7.208 1.00 0.73 C ATOM 1236 O PRO A 79 2.364 5.592 7.271 1.00 0.80 O ATOM 1237 CB PRO A 79 4.277 2.918 8.101 1.00 0.78 C ATOM 1238 CG PRO A 79 5.765 2.712 7.825 1.00 0.85 C ATOM 1239 CD PRO A 79 5.830 2.652 6.300 1.00 0.83 C ATOM 0 HA PRO A 79 2.798 3.347 6.573 1.00 0.73 H new ATOM 0 HB2 PRO A 79 4.117 3.463 9.031 1.00 0.78 H new ATOM 0 HB3 PRO A 79 3.754 1.966 8.195 1.00 0.78 H new ATOM 0 HG2 PRO A 79 6.366 3.530 8.222 1.00 0.85 H new ATOM 0 HG3 PRO A 79 6.136 1.794 8.281 1.00 0.85 H new ATOM 0 HD2 PRO A 79 6.803 2.981 5.935 1.00 0.83 H new ATOM 0 HD3 PRO A 79 5.682 1.634 5.940 1.00 0.83 H new ATOM 1247 N GLY A 80 4.567 6.025 7.290 1.00 0.83 N ATOM 1248 CA GLY A 80 4.440 7.487 7.367 1.00 0.88 C ATOM 1249 C GLY A 80 4.383 8.135 5.983 1.00 0.82 C ATOM 1250 O GLY A 80 5.283 8.895 5.633 1.00 1.08 O ATOM 0 H GLY A 80 5.534 5.700 7.305 1.00 0.83 H new ATOM 0 HA2 GLY A 80 3.538 7.743 7.924 1.00 0.88 H new ATOM 0 HA3 GLY A 80 5.284 7.895 7.923 1.00 0.88 H new ATOM 1254 N GLY A 81 3.385 7.776 5.169 1.00 0.78 N ATOM 1255 CA GLY A 81 3.187 8.322 3.821 1.00 0.71 C ATOM 1256 C GLY A 81 1.920 7.836 3.125 1.00 0.63 C ATOM 1257 O GLY A 81 0.983 8.599 2.928 1.00 0.74 O ATOM 0 H GLY A 81 2.680 7.087 5.432 1.00 0.78 H new ATOM 0 HA2 GLY A 81 3.158 9.410 3.883 1.00 0.71 H new ATOM 0 HA3 GLY A 81 4.048 8.060 3.206 1.00 0.71 H new ATOM 1261 N TYR A 82 1.902 6.560 2.741 1.00 0.55 N ATOM 1262 CA TYR A 82 0.839 5.911 1.954 1.00 0.51 C ATOM 1263 C TYR A 82 0.846 4.412 2.234 1.00 0.54 C ATOM 1264 O TYR A 82 1.904 3.836 2.460 1.00 0.60 O ATOM 1265 CB TYR A 82 1.021 6.163 0.451 1.00 0.53 C ATOM 1266 CG TYR A 82 1.090 7.625 0.071 1.00 0.54 C ATOM 1267 CD1 TYR A 82 -0.087 8.396 0.003 1.00 1.81 C ATOM 1268 CD2 TYR A 82 2.346 8.226 -0.136 1.00 1.58 C ATOM 1269 CE1 TYR A 82 -0.008 9.784 -0.221 1.00 1.85 C ATOM 1270 CE2 TYR A 82 2.433 9.608 -0.373 1.00 1.58 C ATOM 1271 CZ TYR A 82 1.257 10.391 -0.407 1.00 0.64 C ATOM 1272 OH TYR A 82 1.350 11.734 -0.602 1.00 0.72 O ATOM 0 H TYR A 82 2.658 5.917 2.977 1.00 0.55 H new ATOM 0 HA TYR A 82 -0.118 6.340 2.250 1.00 0.51 H new ATOM 0 HB2 TYR A 82 1.935 5.670 0.119 1.00 0.53 H new ATOM 0 HB3 TYR A 82 0.195 5.698 -0.087 1.00 0.53 H new ATOM 0 HD1 TYR A 82 -1.050 7.922 0.123 1.00 1.81 H new ATOM 0 HD2 TYR A 82 3.243 7.625 -0.113 1.00 1.58 H new ATOM 0 HE1 TYR A 82 -0.907 10.382 -0.251 1.00 1.85 H new ATOM 0 HE2 TYR A 82 3.396 10.071 -0.529 1.00 1.58 H new ATOM 0 HH TYR A 82 2.291 11.984 -0.711 1.00 0.72 H new ATOM 1282 N HIS A 83 -0.303 3.748 2.211 1.00 0.53 N ATOM 1283 CA HIS A 83 -0.391 2.308 2.486 1.00 0.57 C ATOM 1284 C HIS A 83 -1.742 1.749 2.041 1.00 0.57 C ATOM 1285 O HIS A 83 -2.628 2.516 1.664 1.00 0.63 O ATOM 1286 CB HIS A 83 -0.108 2.024 3.976 1.00 0.62 C ATOM 1287 CG HIS A 83 -1.114 2.601 4.941 1.00 0.69 C ATOM 1288 ND1 HIS A 83 -1.105 3.865 5.484 1.00 0.84 N ATOM 1289 CD2 HIS A 83 -2.188 1.944 5.477 1.00 0.79 C ATOM 1290 CE1 HIS A 83 -2.160 3.965 6.311 1.00 0.98 C ATOM 1291 NE2 HIS A 83 -2.836 2.809 6.358 1.00 0.96 N ATOM 0 H HIS A 83 -1.201 4.185 2.003 1.00 0.53 H new ATOM 0 HA HIS A 83 0.374 1.794 1.904 1.00 0.57 H new ATOM 0 HB2 HIS A 83 -0.065 0.945 4.122 1.00 0.62 H new ATOM 0 HB3 HIS A 83 0.877 2.418 4.224 1.00 0.62 H new ATOM 0 HD2 HIS A 83 -2.483 0.929 5.256 1.00 0.79 H new ATOM 0 HE1 HIS A 83 -2.426 4.855 6.862 1.00 0.98 H new ATOM 0 HE2 HIS A 83 -3.659 2.603 6.924 1.00 0.96 H new ATOM 1299 N PHE A 84 -1.915 0.429 2.137 1.00 0.56 N ATOM 1300 CA PHE A 84 -3.222 -0.206 2.027 1.00 0.56 C ATOM 1301 C PHE A 84 -3.704 -0.630 3.405 1.00 0.55 C ATOM 1302 O PHE A 84 -2.973 -1.314 4.125 1.00 0.65 O ATOM 1303 CB PHE A 84 -3.151 -1.437 1.123 1.00 0.65 C ATOM 1304 CG PHE A 84 -2.755 -1.137 -0.302 1.00 0.57 C ATOM 1305 CD1 PHE A 84 -3.686 -0.535 -1.167 1.00 1.79 C ATOM 1306 CD2 PHE A 84 -1.465 -1.459 -0.765 1.00 1.72 C ATOM 1307 CE1 PHE A 84 -3.329 -0.269 -2.496 1.00 1.68 C ATOM 1308 CE2 PHE A 84 -1.113 -1.193 -2.099 1.00 1.84 C ATOM 1309 CZ PHE A 84 -2.041 -0.588 -2.960 1.00 0.61 C ATOM 0 H PHE A 84 -1.150 -0.227 2.293 1.00 0.56 H new ATOM 0 HA PHE A 84 -3.917 0.513 1.594 1.00 0.56 H new ATOM 0 HB2 PHE A 84 -2.436 -2.143 1.546 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -4.123 -1.929 1.122 1.00 0.65 H new ATOM 0 HD1 PHE A 84 -4.672 -0.279 -0.809 1.00 1.79 H new ATOM 0 HD2 PHE A 84 -0.747 -1.910 -0.096 1.00 1.72 H new ATOM 0 HE1 PHE A 84 -4.046 0.183 -3.166 1.00 1.68 H new ATOM 0 HE2 PHE A 84 -0.130 -1.454 -2.461 1.00 1.84 H new ATOM 0 HZ PHE A 84 -1.765 -0.367 -3.981 1.00 0.61 H new ATOM 1319 N MET A 85 -4.954 -0.307 3.731 1.00 0.50 N ATOM 1320 CA MET A 85 -5.707 -0.987 4.787 1.00 0.52 C ATOM 1321 C MET A 85 -6.287 -2.297 4.259 1.00 0.50 C ATOM 1322 O MET A 85 -6.832 -2.322 3.154 1.00 0.61 O ATOM 1323 CB MET A 85 -6.810 -0.069 5.338 1.00 0.66 C ATOM 1324 CG MET A 85 -6.338 0.725 6.562 1.00 0.70 C ATOM 1325 SD MET A 85 -6.045 -0.291 8.041 1.00 1.20 S ATOM 1326 CE MET A 85 -4.233 -0.322 8.054 1.00 0.76 C ATOM 0 H MET A 85 -5.477 0.437 3.269 1.00 0.50 H new ATOM 0 HA MET A 85 -5.031 -1.223 5.609 1.00 0.52 H new ATOM 0 HB2 MET A 85 -7.129 0.623 4.558 1.00 0.66 H new ATOM 0 HB3 MET A 85 -7.679 -0.668 5.608 1.00 0.66 H new ATOM 0 HG2 MET A 85 -5.417 1.250 6.308 1.00 0.70 H new ATOM 0 HG3 MET A 85 -7.083 1.484 6.798 1.00 0.70 H new ATOM 0 HE1 MET A 85 -3.888 -1.221 8.564 1.00 0.76 H new ATOM 0 HE2 MET A 85 -3.862 -0.321 7.029 1.00 0.76 H new ATOM 0 HE3 MET A 85 -3.858 0.558 8.577 1.00 0.76 H new ATOM 1336 N LEU A 86 -6.169 -3.364 5.061 1.00 0.47 N ATOM 1337 CA LEU A 86 -6.673 -4.708 4.758 1.00 0.48 C ATOM 1338 C LEU A 86 -7.735 -5.100 5.794 1.00 0.56 C ATOM 1339 O LEU A 86 -7.375 -5.515 6.897 1.00 0.96 O ATOM 1340 CB LEU A 86 -5.498 -5.714 4.787 1.00 0.51 C ATOM 1341 CG LEU A 86 -4.352 -5.473 3.783 1.00 0.63 C ATOM 1342 CD1 LEU A 86 -3.375 -6.654 3.873 1.00 1.62 C ATOM 1343 CD2 LEU A 86 -4.837 -5.309 2.335 1.00 1.16 C ATOM 0 H LEU A 86 -5.705 -3.312 5.968 1.00 0.47 H new ATOM 0 HA LEU A 86 -7.126 -4.719 3.766 1.00 0.48 H new ATOM 0 HB2 LEU A 86 -5.075 -5.714 5.792 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -5.900 -6.712 4.611 1.00 0.51 H new ATOM 0 HG LEU A 86 -3.867 -4.534 4.051 1.00 0.63 H new ATOM 0 HD11 LEU A 86 -2.556 -6.503 3.170 1.00 1.62 H new ATOM 0 HD12 LEU A 86 -2.977 -6.720 4.885 1.00 1.62 H new ATOM 0 HD13 LEU A 86 -3.898 -7.578 3.628 1.00 1.62 H new ATOM 0 HD21 LEU A 86 -3.981 -5.143 1.681 1.00 1.16 H new ATOM 0 HD22 LEU A 86 -5.362 -6.212 2.023 1.00 1.16 H new ATOM 0 HD23 LEU A 86 -5.513 -4.456 2.272 1.00 1.16 H new ATOM 1355 N LEU A 87 -9.026 -4.952 5.475 1.00 0.50 N ATOM 1356 CA LEU A 87 -10.137 -5.264 6.389 1.00 0.58 C ATOM 1357 C LEU A 87 -10.788 -6.610 6.032 1.00 0.63 C ATOM 1358 O LEU A 87 -10.948 -6.936 4.854 1.00 0.85 O ATOM 1359 CB LEU A 87 -11.208 -4.150 6.377 1.00 0.70 C ATOM 1360 CG LEU A 87 -10.735 -2.680 6.306 1.00 1.12 C ATOM 1361 CD1 LEU A 87 -11.938 -1.745 6.486 1.00 1.79 C ATOM 1362 CD2 LEU A 87 -9.690 -2.350 7.372 1.00 2.40 C ATOM 0 H LEU A 87 -9.335 -4.609 4.566 1.00 0.50 H new ATOM 0 HA LEU A 87 -9.715 -5.331 7.392 1.00 0.58 H new ATOM 0 HB2 LEU A 87 -11.865 -4.329 5.526 1.00 0.70 H new ATOM 0 HB3 LEU A 87 -11.814 -4.261 7.276 1.00 0.70 H new ATOM 0 HG LEU A 87 -10.273 -2.537 5.329 1.00 1.12 H new ATOM 0 HD11 LEU A 87 -11.604 -0.709 6.436 1.00 1.79 H new ATOM 0 HD12 LEU A 87 -12.665 -1.931 5.695 1.00 1.79 H new ATOM 0 HD13 LEU A 87 -12.401 -1.930 7.455 1.00 1.79 H new ATOM 0 HD21 LEU A 87 -9.392 -1.306 7.278 1.00 2.40 H new ATOM 0 HD22 LEU A 87 -10.114 -2.519 8.362 1.00 2.40 H new ATOM 0 HD23 LEU A 87 -8.818 -2.990 7.237 1.00 2.40 H new ATOM 1374 N GLY A 88 -11.206 -7.381 7.044 1.00 0.66 N ATOM 1375 CA GLY A 88 -11.838 -8.693 6.842 1.00 0.79 C ATOM 1376 C GLY A 88 -10.802 -9.719 6.398 1.00 0.84 C ATOM 1377 O GLY A 88 -10.721 -10.045 5.214 1.00 1.31 O ATOM 0 H GLY A 88 -11.116 -7.114 8.024 1.00 0.66 H new ATOM 0 HA2 GLY A 88 -12.312 -9.022 7.767 1.00 0.79 H new ATOM 0 HA3 GLY A 88 -12.625 -8.613 6.092 1.00 0.79 H new ATOM 1381 N LEU A 89 -9.964 -10.182 7.326 1.00 0.79 N ATOM 1382 CA LEU A 89 -8.800 -11.010 7.007 1.00 0.76 C ATOM 1383 C LEU A 89 -9.184 -12.476 6.754 1.00 0.76 C ATOM 1384 O LEU A 89 -9.734 -13.147 7.622 1.00 0.93 O ATOM 1385 CB LEU A 89 -7.754 -10.888 8.125 1.00 0.91 C ATOM 1386 CG LEU A 89 -7.233 -9.462 8.394 1.00 0.80 C ATOM 1387 CD1 LEU A 89 -6.133 -9.544 9.456 1.00 0.99 C ATOM 1388 CD2 LEU A 89 -6.689 -8.781 7.130 1.00 0.83 C ATOM 0 H LEU A 89 -10.073 -9.993 8.322 1.00 0.79 H new ATOM 0 HA LEU A 89 -8.366 -10.642 6.077 1.00 0.76 H new ATOM 0 HB2 LEU A 89 -8.186 -11.278 9.047 1.00 0.91 H new ATOM 0 HB3 LEU A 89 -6.905 -11.525 7.876 1.00 0.91 H new ATOM 0 HG LEU A 89 -8.069 -8.854 8.740 1.00 0.80 H new ATOM 0 HD11 LEU A 89 -5.750 -8.544 9.661 1.00 0.99 H new ATOM 0 HD12 LEU A 89 -6.542 -9.971 10.372 1.00 0.99 H new ATOM 0 HD13 LEU A 89 -5.322 -10.175 9.092 1.00 0.99 H new ATOM 0 HD21 LEU A 89 -6.336 -7.780 7.379 1.00 0.83 H new ATOM 0 HD22 LEU A 89 -5.863 -9.367 6.728 1.00 0.83 H new ATOM 0 HD23 LEU A 89 -7.481 -8.711 6.385 1.00 0.83 H new ATOM 1400 N LYS A 90 -8.817 -13.005 5.585 1.00 0.75 N ATOM 1401 CA LYS A 90 -9.097 -14.400 5.198 1.00 0.78 C ATOM 1402 C LYS A 90 -8.075 -15.401 5.772 1.00 0.84 C ATOM 1403 O LYS A 90 -8.242 -16.615 5.652 1.00 0.93 O ATOM 1404 CB LYS A 90 -9.229 -14.516 3.669 1.00 0.91 C ATOM 1405 CG LYS A 90 -10.076 -13.382 3.066 1.00 0.77 C ATOM 1406 CD LYS A 90 -10.692 -13.746 1.713 1.00 1.17 C ATOM 1407 CE LYS A 90 -11.103 -12.454 1.000 1.00 1.30 C ATOM 1408 NZ LYS A 90 -12.218 -12.671 0.055 1.00 1.43 N ATOM 0 H LYS A 90 -8.313 -12.478 4.871 1.00 0.75 H new ATOM 0 HA LYS A 90 -10.052 -14.676 5.645 1.00 0.78 H new ATOM 0 HB2 LYS A 90 -8.236 -14.503 3.219 1.00 0.91 H new ATOM 0 HB3 LYS A 90 -9.680 -15.476 3.418 1.00 0.91 H new ATOM 0 HG2 LYS A 90 -10.873 -13.122 3.763 1.00 0.77 H new ATOM 0 HG3 LYS A 90 -9.453 -12.495 2.948 1.00 0.77 H new ATOM 0 HD2 LYS A 90 -9.975 -14.300 1.108 1.00 1.17 H new ATOM 0 HD3 LYS A 90 -11.558 -14.393 1.853 1.00 1.17 H new ATOM 0 HE2 LYS A 90 -11.396 -11.709 1.740 1.00 1.30 H new ATOM 0 HE3 LYS A 90 -10.246 -12.049 0.462 1.00 1.30 H new ATOM 0 HZ1 LYS A 90 -12.419 -11.787 -0.454 1.00 1.43 H new ATOM 0 HZ2 LYS A 90 -11.956 -13.411 -0.627 1.00 1.43 H new ATOM 0 HZ3 LYS A 90 -13.065 -12.968 0.580 1.00 1.43 H new ATOM 1422 N ARG A 91 -7.019 -14.891 6.417 1.00 0.97 N ATOM 1423 CA ARG A 91 -6.167 -15.562 7.405 1.00 1.18 C ATOM 1424 C ARG A 91 -5.543 -14.489 8.316 1.00 1.10 C ATOM 1425 O ARG A 91 -5.312 -13.385 7.823 1.00 1.02 O ATOM 1426 CB ARG A 91 -5.079 -16.415 6.725 1.00 1.46 C ATOM 1427 CG ARG A 91 -4.146 -15.626 5.782 1.00 2.05 C ATOM 1428 CD ARG A 91 -3.017 -16.500 5.225 1.00 2.31 C ATOM 1429 NE ARG A 91 -3.545 -17.608 4.407 1.00 2.33 N ATOM 1430 CZ ARG A 91 -2.908 -18.736 4.105 1.00 3.07 C ATOM 1431 NH1 ARG A 91 -1.660 -18.964 4.450 1.00 3.95 N ATOM 1432 NH2 ARG A 91 -3.540 -19.676 3.434 1.00 3.84 N ATOM 0 H ARG A 91 -6.717 -13.931 6.250 1.00 0.97 H new ATOM 0 HA ARG A 91 -6.771 -16.246 8.001 1.00 1.18 H new ATOM 0 HB2 ARG A 91 -4.475 -16.894 7.496 1.00 1.46 H new ATOM 0 HB3 ARG A 91 -5.561 -17.211 6.157 1.00 1.46 H new ATOM 0 HG2 ARG A 91 -4.728 -15.216 4.956 1.00 2.05 H new ATOM 0 HG3 ARG A 91 -3.718 -14.781 6.320 1.00 2.05 H new ATOM 0 HD2 ARG A 91 -2.346 -15.889 4.622 1.00 2.31 H new ATOM 0 HD3 ARG A 91 -2.427 -16.903 6.048 1.00 2.31 H new ATOM 0 HE ARG A 91 -4.489 -17.499 4.037 1.00 2.33 H new ATOM 0 HH11 ARG A 91 -1.138 -18.260 4.972 1.00 3.95 H new ATOM 0 HH12 ARG A 91 -1.213 -19.845 4.196 1.00 3.95 H new ATOM 0 HH21 ARG A 91 -4.510 -19.536 3.150 1.00 3.84 H new ATOM 0 HH22 ARG A 91 -3.060 -20.544 3.198 1.00 3.84 H new ATOM 1446 N PRO A 92 -5.239 -14.777 9.597 1.00 1.29 N ATOM 1447 CA PRO A 92 -4.428 -13.884 10.417 1.00 1.41 C ATOM 1448 C PRO A 92 -3.034 -13.791 9.790 1.00 1.50 C ATOM 1449 O PRO A 92 -2.471 -14.810 9.385 1.00 1.61 O ATOM 1450 CB PRO A 92 -4.407 -14.511 11.815 1.00 1.61 C ATOM 1451 CG PRO A 92 -4.606 -16.001 11.542 1.00 1.65 C ATOM 1452 CD PRO A 92 -5.520 -16.014 10.315 1.00 1.51 C ATOM 0 HA PRO A 92 -4.817 -12.868 10.480 1.00 1.41 H new ATOM 0 HB2 PRO A 92 -3.464 -14.319 12.326 1.00 1.61 H new ATOM 0 HB3 PRO A 92 -5.199 -14.110 12.447 1.00 1.61 H new ATOM 0 HG2 PRO A 92 -3.659 -16.504 11.344 1.00 1.65 H new ATOM 0 HG3 PRO A 92 -5.065 -16.508 12.391 1.00 1.65 H new ATOM 0 HD2 PRO A 92 -5.321 -16.884 9.689 1.00 1.51 H new ATOM 0 HD3 PRO A 92 -6.568 -16.066 10.609 1.00 1.51 H new ATOM 1460 N LEU A 93 -2.487 -12.577 9.676 1.00 1.67 N ATOM 1461 CA LEU A 93 -1.194 -12.377 9.020 1.00 1.78 C ATOM 1462 C LEU A 93 -0.061 -12.808 9.957 1.00 1.98 C ATOM 1463 O LEU A 93 0.117 -12.231 11.031 1.00 2.33 O ATOM 1464 CB LEU A 93 -1.024 -10.916 8.557 1.00 1.81 C ATOM 1465 CG LEU A 93 -1.663 -10.500 7.216 1.00 1.68 C ATOM 1466 CD1 LEU A 93 -1.229 -11.408 6.063 1.00 1.55 C ATOM 1467 CD2 LEU A 93 -3.188 -10.404 7.268 1.00 2.25 C ATOM 0 H LEU A 93 -2.918 -11.722 10.028 1.00 1.67 H new ATOM 0 HA LEU A 93 -1.154 -13.000 8.126 1.00 1.78 H new ATOM 0 HB2 LEU A 93 -1.431 -10.270 9.335 1.00 1.81 H new ATOM 0 HB3 LEU A 93 0.044 -10.708 8.496 1.00 1.81 H new ATOM 0 HG LEU A 93 -1.287 -9.495 7.028 1.00 1.68 H new ATOM 0 HD11 LEU A 93 -1.704 -11.076 5.140 1.00 1.55 H new ATOM 0 HD12 LEU A 93 -0.146 -11.361 5.951 1.00 1.55 H new ATOM 0 HD13 LEU A 93 -1.527 -12.434 6.276 1.00 1.55 H new ATOM 0 HD21 LEU A 93 -3.567 -10.107 6.290 1.00 2.25 H new ATOM 0 HD22 LEU A 93 -3.605 -11.374 7.539 1.00 2.25 H new ATOM 0 HD23 LEU A 93 -3.481 -9.663 8.011 1.00 2.25 H new ATOM 1479 N LYS A 94 0.729 -13.792 9.518 1.00 1.90 N ATOM 1480 CA LYS A 94 1.885 -14.358 10.223 1.00 2.00 C ATOM 1481 C LYS A 94 3.190 -13.866 9.573 1.00 1.85 C ATOM 1482 O LYS A 94 3.390 -14.073 8.378 1.00 2.03 O ATOM 1483 CB LYS A 94 1.738 -15.895 10.202 1.00 2.20 C ATOM 1484 CG LYS A 94 2.936 -16.698 10.758 1.00 2.58 C ATOM 1485 CD LYS A 94 3.870 -17.294 9.686 1.00 2.83 C ATOM 1486 CE LYS A 94 3.188 -18.404 8.872 1.00 3.02 C ATOM 1487 NZ LYS A 94 3.990 -18.826 7.696 1.00 3.73 N ATOM 0 H LYS A 94 0.572 -14.239 8.615 1.00 1.90 H new ATOM 0 HA LYS A 94 1.924 -14.029 11.262 1.00 2.00 H new ATOM 0 HB2 LYS A 94 0.850 -16.163 10.774 1.00 2.20 H new ATOM 0 HB3 LYS A 94 1.562 -16.209 9.173 1.00 2.20 H new ATOM 0 HG2 LYS A 94 3.521 -16.047 11.408 1.00 2.58 H new ATOM 0 HG3 LYS A 94 2.555 -17.509 11.379 1.00 2.58 H new ATOM 0 HD2 LYS A 94 4.199 -16.502 9.013 1.00 2.83 H new ATOM 0 HD3 LYS A 94 4.762 -17.695 10.167 1.00 2.83 H new ATOM 0 HE2 LYS A 94 3.013 -19.266 9.516 1.00 3.02 H new ATOM 0 HE3 LYS A 94 2.212 -18.055 8.535 1.00 3.02 H new ATOM 0 HZ1 LYS A 94 3.389 -18.824 6.847 1.00 3.73 H new ATOM 0 HZ2 LYS A 94 4.782 -18.166 7.561 1.00 3.73 H new ATOM 0 HZ3 LYS A 94 4.362 -19.784 7.855 1.00 3.73 H new ATOM 1501 N ALA A 95 4.093 -13.239 10.339 1.00 1.90 N ATOM 1502 CA ALA A 95 5.426 -12.870 9.849 1.00 1.81 C ATOM 1503 C ALA A 95 6.158 -14.123 9.343 1.00 1.71 C ATOM 1504 O ALA A 95 6.131 -15.158 10.008 1.00 1.92 O ATOM 1505 CB ALA A 95 6.196 -12.152 10.963 1.00 2.14 C ATOM 0 H ALA A 95 3.921 -12.975 11.309 1.00 1.90 H new ATOM 0 HA ALA A 95 5.345 -12.182 9.008 1.00 1.81 H new ATOM 0 HB1 ALA A 95 7.187 -11.877 10.601 1.00 2.14 H new ATOM 0 HB2 ALA A 95 5.655 -11.253 11.258 1.00 2.14 H new ATOM 0 HB3 ALA A 95 6.295 -12.815 11.823 1.00 2.14 H new ATOM 1511 N GLY A 96 6.732 -14.060 8.139 1.00 1.53 N ATOM 1512 CA GLY A 96 7.220 -15.255 7.437 1.00 1.56 C ATOM 1513 C GLY A 96 6.104 -16.051 6.749 1.00 1.68 C ATOM 1514 O GLY A 96 6.153 -17.280 6.719 1.00 2.25 O ATOM 0 H GLY A 96 6.872 -13.190 7.626 1.00 1.53 H new ATOM 0 HA2 GLY A 96 7.956 -14.955 6.691 1.00 1.56 H new ATOM 0 HA3 GLY A 96 7.733 -15.902 8.149 1.00 1.56 H new ATOM 1518 N GLU A 97 5.083 -15.371 6.227 1.00 1.46 N ATOM 1519 CA GLU A 97 4.335 -15.806 5.038 1.00 1.41 C ATOM 1520 C GLU A 97 4.844 -14.995 3.836 1.00 1.11 C ATOM 1521 O GLU A 97 5.565 -14.005 3.999 1.00 1.06 O ATOM 1522 CB GLU A 97 2.824 -15.515 5.159 1.00 1.67 C ATOM 1523 CG GLU A 97 2.072 -16.153 6.318 1.00 1.86 C ATOM 1524 CD GLU A 97 1.363 -17.441 5.921 1.00 1.57 C ATOM 1525 OE1 GLU A 97 2.056 -18.481 5.865 1.00 2.51 O ATOM 1526 OE2 GLU A 97 0.124 -17.407 5.759 1.00 2.22 O ATOM 0 H GLU A 97 4.745 -14.492 6.619 1.00 1.46 H new ATOM 0 HA GLU A 97 4.483 -16.880 4.927 1.00 1.41 H new ATOM 0 HB2 GLU A 97 2.695 -14.435 5.229 1.00 1.67 H new ATOM 0 HB3 GLU A 97 2.346 -15.834 4.233 1.00 1.67 H new ATOM 0 HG2 GLU A 97 2.771 -16.363 7.128 1.00 1.86 H new ATOM 0 HG3 GLU A 97 1.340 -15.444 6.705 1.00 1.86 H new ATOM 1533 N GLU A 98 4.354 -15.347 2.653 1.00 1.14 N ATOM 1534 CA GLU A 98 4.374 -14.501 1.460 1.00 1.05 C ATOM 1535 C GLU A 98 2.927 -14.202 1.058 1.00 0.93 C ATOM 1536 O GLU A 98 2.035 -15.007 1.326 1.00 1.21 O ATOM 1537 CB GLU A 98 5.100 -15.192 0.298 1.00 1.33 C ATOM 1538 CG GLU A 98 6.603 -15.333 0.542 1.00 2.11 C ATOM 1539 CD GLU A 98 7.276 -15.851 -0.725 1.00 2.65 C ATOM 1540 OE1 GLU A 98 7.523 -15.005 -1.611 1.00 3.54 O ATOM 1541 OE2 GLU A 98 7.488 -17.081 -0.808 1.00 3.18 O ATOM 0 H GLU A 98 3.919 -16.255 2.490 1.00 1.14 H new ATOM 0 HA GLU A 98 4.911 -13.580 1.686 1.00 1.05 H new ATOM 0 HB2 GLU A 98 4.667 -16.180 0.141 1.00 1.33 H new ATOM 0 HB3 GLU A 98 4.936 -14.623 -0.617 1.00 1.33 H new ATOM 0 HG2 GLU A 98 7.028 -14.370 0.825 1.00 2.11 H new ATOM 0 HG3 GLU A 98 6.785 -16.018 1.370 1.00 2.11 H new ATOM 1548 N VAL A 99 2.686 -13.054 0.428 1.00 0.74 N ATOM 1549 CA VAL A 99 1.371 -12.630 -0.074 1.00 0.72 C ATOM 1550 C VAL A 99 1.483 -12.241 -1.540 1.00 0.71 C ATOM 1551 O VAL A 99 2.268 -11.358 -1.878 1.00 0.77 O ATOM 1552 CB VAL A 99 0.835 -11.434 0.751 1.00 0.76 C ATOM 1553 CG1 VAL A 99 -0.279 -10.638 0.035 1.00 0.76 C ATOM 1554 CG2 VAL A 99 0.288 -11.958 2.085 1.00 0.95 C ATOM 0 H VAL A 99 3.419 -12.369 0.245 1.00 0.74 H new ATOM 0 HA VAL A 99 0.672 -13.461 0.027 1.00 0.72 H new ATOM 0 HB VAL A 99 1.671 -10.750 0.896 1.00 0.76 H new ATOM 0 HG11 VAL A 99 -0.606 -9.816 0.672 1.00 0.76 H new ATOM 0 HG12 VAL A 99 0.105 -10.239 -0.904 1.00 0.76 H new ATOM 0 HG13 VAL A 99 -1.123 -11.297 -0.169 1.00 0.76 H new ATOM 0 HG21 VAL A 99 -0.092 -11.124 2.675 1.00 0.95 H new ATOM 0 HG22 VAL A 99 -0.519 -12.666 1.895 1.00 0.95 H new ATOM 0 HG23 VAL A 99 1.086 -12.457 2.635 1.00 0.95 H new ATOM 1564 N GLU A 100 0.629 -12.837 -2.376 1.00 0.70 N ATOM 1565 CA GLU A 100 0.326 -12.301 -3.705 1.00 0.71 C ATOM 1566 C GLU A 100 -0.598 -11.077 -3.617 1.00 0.65 C ATOM 1567 O GLU A 100 -1.545 -11.020 -2.822 1.00 0.78 O ATOM 1568 CB GLU A 100 -0.343 -13.336 -4.618 1.00 0.91 C ATOM 1569 CG GLU A 100 0.632 -14.325 -5.270 1.00 1.21 C ATOM 1570 CD GLU A 100 0.046 -14.832 -6.588 1.00 1.84 C ATOM 1571 OE1 GLU A 100 -1.159 -15.157 -6.644 1.00 2.47 O ATOM 1572 OE2 GLU A 100 0.730 -14.781 -7.632 1.00 2.78 O ATOM 0 H GLU A 100 0.131 -13.699 -2.153 1.00 0.70 H new ATOM 0 HA GLU A 100 1.288 -12.019 -4.133 1.00 0.71 H new ATOM 0 HB2 GLU A 100 -1.076 -13.896 -4.037 1.00 0.91 H new ATOM 0 HB3 GLU A 100 -0.890 -12.812 -5.402 1.00 0.91 H new ATOM 0 HG2 GLU A 100 1.591 -13.840 -5.450 1.00 1.21 H new ATOM 0 HG3 GLU A 100 0.819 -15.162 -4.598 1.00 1.21 H new ATOM 1579 N LEU A 101 -0.333 -10.108 -4.495 1.00 0.66 N ATOM 1580 CA LEU A 101 -0.969 -8.799 -4.485 1.00 0.61 C ATOM 1581 C LEU A 101 -1.056 -8.209 -5.899 1.00 0.61 C ATOM 1582 O LEU A 101 -0.050 -7.896 -6.535 1.00 0.68 O ATOM 1583 CB LEU A 101 -0.216 -7.902 -3.479 1.00 0.71 C ATOM 1584 CG LEU A 101 -1.102 -7.473 -2.305 1.00 1.06 C ATOM 1585 CD1 LEU A 101 -0.236 -6.931 -1.180 1.00 1.62 C ATOM 1586 CD2 LEU A 101 -2.087 -6.365 -2.700 1.00 1.24 C ATOM 0 H LEU A 101 0.346 -10.219 -5.248 1.00 0.66 H new ATOM 0 HA LEU A 101 -2.005 -8.878 -4.155 1.00 0.61 H new ATOM 0 HB2 LEU A 101 0.653 -8.438 -3.098 1.00 0.71 H new ATOM 0 HB3 LEU A 101 0.156 -7.016 -3.993 1.00 0.71 H new ATOM 0 HG LEU A 101 -1.661 -8.355 -1.992 1.00 1.06 H new ATOM 0 HD11 LEU A 101 -0.870 -6.627 -0.347 1.00 1.62 H new ATOM 0 HD12 LEU A 101 0.454 -7.706 -0.847 1.00 1.62 H new ATOM 0 HD13 LEU A 101 0.330 -6.071 -1.538 1.00 1.62 H new ATOM 0 HD21 LEU A 101 -2.694 -6.093 -1.837 1.00 1.24 H new ATOM 0 HD22 LEU A 101 -1.533 -5.491 -3.044 1.00 1.24 H new ATOM 0 HD23 LEU A 101 -2.735 -6.722 -3.501 1.00 1.24 H new ATOM 1598 N ASP A 102 -2.289 -8.069 -6.370 1.00 0.61 N ATOM 1599 CA ASP A 102 -2.706 -7.487 -7.647 1.00 0.62 C ATOM 1600 C ASP A 102 -2.801 -5.959 -7.521 1.00 0.59 C ATOM 1601 O ASP A 102 -3.830 -5.430 -7.099 1.00 0.65 O ATOM 1602 CB ASP A 102 -4.079 -8.076 -8.026 1.00 0.74 C ATOM 1603 CG ASP A 102 -4.023 -9.459 -8.675 1.00 1.00 C ATOM 1604 OD1 ASP A 102 -3.429 -9.563 -9.770 1.00 1.70 O ATOM 1605 OD2 ASP A 102 -4.615 -10.394 -8.087 1.00 2.12 O ATOM 0 H ASP A 102 -3.092 -8.385 -5.826 1.00 0.61 H new ATOM 0 HA ASP A 102 -1.976 -7.722 -8.421 1.00 0.62 H new ATOM 0 HB2 ASP A 102 -4.694 -8.136 -7.128 1.00 0.74 H new ATOM 0 HB3 ASP A 102 -4.578 -7.389 -8.709 1.00 0.74 H new ATOM 1610 N LEU A 103 -1.733 -5.235 -7.870 1.00 0.61 N ATOM 1611 CA LEU A 103 -1.700 -3.764 -7.881 1.00 0.57 C ATOM 1612 C LEU A 103 -2.547 -3.209 -9.044 1.00 0.55 C ATOM 1613 O LEU A 103 -2.271 -3.523 -10.202 1.00 0.61 O ATOM 1614 CB LEU A 103 -0.241 -3.278 -8.006 1.00 0.63 C ATOM 1615 CG LEU A 103 0.778 -3.853 -7.002 1.00 0.80 C ATOM 1616 CD1 LEU A 103 2.158 -3.244 -7.292 1.00 1.08 C ATOM 1617 CD2 LEU A 103 0.391 -3.588 -5.540 1.00 1.13 C ATOM 0 H LEU A 103 -0.851 -5.659 -8.158 1.00 0.61 H new ATOM 0 HA LEU A 103 -2.123 -3.397 -6.946 1.00 0.57 H new ATOM 0 HB2 LEU A 103 0.108 -3.509 -9.012 1.00 0.63 H new ATOM 0 HB3 LEU A 103 -0.236 -2.192 -7.909 1.00 0.63 H new ATOM 0 HG LEU A 103 0.795 -4.935 -7.131 1.00 0.80 H new ATOM 0 HD11 LEU A 103 2.887 -3.644 -6.587 1.00 1.08 H new ATOM 0 HD12 LEU A 103 2.460 -3.495 -8.309 1.00 1.08 H new ATOM 0 HD13 LEU A 103 2.107 -2.160 -7.186 1.00 1.08 H new ATOM 0 HD21 LEU A 103 1.146 -4.016 -4.880 1.00 1.13 H new ATOM 0 HD22 LEU A 103 0.328 -2.513 -5.369 1.00 1.13 H new ATOM 0 HD23 LEU A 103 -0.576 -4.046 -5.331 1.00 1.13 H new ATOM 1629 N LEU A 104 -3.554 -2.378 -8.749 1.00 0.51 N ATOM 1630 CA LEU A 104 -4.547 -1.880 -9.715 1.00 0.52 C ATOM 1631 C LEU A 104 -4.159 -0.502 -10.267 1.00 0.52 C ATOM 1632 O LEU A 104 -3.943 0.456 -9.513 1.00 0.52 O ATOM 1633 CB LEU A 104 -5.950 -1.788 -9.075 1.00 0.52 C ATOM 1634 CG LEU A 104 -6.441 -2.997 -8.264 1.00 0.54 C ATOM 1635 CD1 LEU A 104 -7.861 -2.733 -7.744 1.00 0.58 C ATOM 1636 CD2 LEU A 104 -6.412 -4.311 -9.055 1.00 0.58 C ATOM 0 H LEU A 104 -3.707 -2.022 -7.805 1.00 0.51 H new ATOM 0 HA LEU A 104 -4.569 -2.596 -10.537 1.00 0.52 H new ATOM 0 HB2 LEU A 104 -5.965 -0.916 -8.421 1.00 0.52 H new ATOM 0 HB3 LEU A 104 -6.671 -1.602 -9.871 1.00 0.52 H new ATOM 0 HG LEU A 104 -5.748 -3.118 -7.431 1.00 0.54 H new ATOM 0 HD11 LEU A 104 -8.204 -3.594 -7.170 1.00 0.58 H new ATOM 0 HD12 LEU A 104 -7.856 -1.849 -7.106 1.00 0.58 H new ATOM 0 HD13 LEU A 104 -8.532 -2.568 -8.587 1.00 0.58 H new ATOM 0 HD21 LEU A 104 -6.771 -5.124 -8.424 1.00 0.58 H new ATOM 0 HD22 LEU A 104 -7.053 -4.222 -9.932 1.00 0.58 H new ATOM 0 HD23 LEU A 104 -5.391 -4.522 -9.372 1.00 0.58 H new ATOM 1648 N PHE A 105 -4.145 -0.368 -11.592 1.00 0.54 N ATOM 1649 CA PHE A 105 -3.666 0.833 -12.275 1.00 0.61 C ATOM 1650 C PHE A 105 -4.694 1.376 -13.278 1.00 0.68 C ATOM 1651 O PHE A 105 -5.282 0.631 -14.060 1.00 0.88 O ATOM 1652 CB PHE A 105 -2.358 0.479 -12.982 1.00 0.71 C ATOM 1653 CG PHE A 105 -1.172 0.279 -12.061 1.00 0.64 C ATOM 1654 CD1 PHE A 105 -0.526 1.393 -11.496 1.00 1.65 C ATOM 1655 CD2 PHE A 105 -0.710 -1.020 -11.772 1.00 1.79 C ATOM 1656 CE1 PHE A 105 0.573 1.214 -10.639 1.00 1.74 C ATOM 1657 CE2 PHE A 105 0.398 -1.195 -10.926 1.00 1.72 C ATOM 1658 CZ PHE A 105 1.037 -0.081 -10.357 1.00 0.69 C ATOM 0 H PHE A 105 -4.469 -1.097 -12.228 1.00 0.54 H new ATOM 0 HA PHE A 105 -3.506 1.623 -11.542 1.00 0.61 H new ATOM 0 HB2 PHE A 105 -2.509 -0.433 -13.560 1.00 0.71 H new ATOM 0 HB3 PHE A 105 -2.119 1.271 -13.692 1.00 0.71 H new ATOM 0 HD1 PHE A 105 -0.876 2.390 -11.722 1.00 1.65 H new ATOM 0 HD2 PHE A 105 -1.206 -1.879 -12.199 1.00 1.79 H new ATOM 0 HE1 PHE A 105 1.060 2.071 -10.198 1.00 1.74 H new ATOM 0 HE2 PHE A 105 0.760 -2.190 -10.712 1.00 1.72 H new ATOM 0 HZ PHE A 105 1.885 -0.220 -9.703 1.00 0.69 H new ATOM 1668 N ALA A 106 -4.850 2.706 -13.279 1.00 0.68 N ATOM 1669 CA ALA A 106 -5.957 3.430 -13.913 1.00 0.64 C ATOM 1670 C ALA A 106 -6.224 3.026 -15.376 1.00 1.22 C ATOM 1671 O ALA A 106 -5.314 2.987 -16.216 1.00 2.04 O ATOM 1672 CB ALA A 106 -5.705 4.937 -13.785 1.00 1.28 C ATOM 0 H ALA A 106 -4.184 3.329 -12.822 1.00 0.68 H new ATOM 0 HA ALA A 106 -6.868 3.152 -13.383 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.523 5.484 -14.254 1.00 1.28 H new ATOM 0 HB2 ALA A 106 -5.645 5.208 -12.731 1.00 1.28 H new ATOM 0 HB3 ALA A 106 -4.768 5.192 -14.279 1.00 1.28 H new ATOM 1678 N GLY A 107 -7.495 2.742 -15.672 1.00 1.77 N ATOM 1679 CA GLY A 107 -7.916 2.043 -16.886 1.00 2.49 C ATOM 1680 C GLY A 107 -7.785 0.531 -16.691 1.00 1.98 C ATOM 1681 O GLY A 107 -8.020 0.020 -15.601 1.00 3.05 O ATOM 0 H GLY A 107 -8.273 2.996 -15.063 1.00 1.77 H new ATOM 0 HA2 GLY A 107 -8.948 2.299 -17.124 1.00 2.49 H new ATOM 0 HA3 GLY A 107 -7.306 2.363 -17.730 1.00 2.49 H new ATOM 1685 N GLY A 108 -7.421 -0.181 -17.759 1.00 1.52 N ATOM 1686 CA GLY A 108 -7.299 -1.644 -17.769 1.00 1.36 C ATOM 1687 C GLY A 108 -5.877 -2.154 -17.539 1.00 1.16 C ATOM 1688 O GLY A 108 -5.378 -2.906 -18.371 1.00 1.48 O ATOM 0 H GLY A 108 -7.199 0.248 -18.657 1.00 1.52 H new ATOM 0 HA2 GLY A 108 -7.951 -2.057 -16.999 1.00 1.36 H new ATOM 0 HA3 GLY A 108 -7.658 -2.021 -18.727 1.00 1.36 H new ATOM 1692 N LYS A 109 -5.193 -1.759 -16.455 1.00 0.84 N ATOM 1693 CA LYS A 109 -3.947 -2.381 -16.028 1.00 0.79 C ATOM 1694 C LYS A 109 -4.075 -2.965 -14.609 1.00 0.73 C ATOM 1695 O LYS A 109 -4.586 -2.307 -13.708 1.00 0.78 O ATOM 1696 CB LYS A 109 -2.850 -1.314 -16.005 1.00 0.79 C ATOM 1697 CG LYS A 109 -2.150 -1.009 -17.335 1.00 1.14 C ATOM 1698 CD LYS A 109 -2.837 0.078 -18.175 1.00 2.47 C ATOM 1699 CE LYS A 109 -2.781 1.433 -17.451 1.00 3.36 C ATOM 1700 NZ LYS A 109 -3.390 2.521 -18.248 1.00 4.51 N ATOM 0 H LYS A 109 -5.497 -0.994 -15.852 1.00 0.84 H new ATOM 0 HA LYS A 109 -3.707 -3.186 -16.723 1.00 0.79 H new ATOM 0 HB2 LYS A 109 -3.286 -0.388 -15.631 1.00 0.79 H new ATOM 0 HB3 LYS A 109 -2.092 -1.623 -15.286 1.00 0.79 H new ATOM 0 HG2 LYS A 109 -1.125 -0.700 -17.130 1.00 1.14 H new ATOM 0 HG3 LYS A 109 -2.096 -1.926 -17.922 1.00 1.14 H new ATOM 0 HD2 LYS A 109 -2.349 0.158 -19.147 1.00 2.47 H new ATOM 0 HD3 LYS A 109 -3.875 -0.199 -18.361 1.00 2.47 H new ATOM 0 HE2 LYS A 109 -3.298 1.353 -16.495 1.00 3.36 H new ATOM 0 HE3 LYS A 109 -1.743 1.683 -17.232 1.00 3.36 H new ATOM 0 HZ1 LYS A 109 -2.682 3.263 -18.420 1.00 4.51 H new ATOM 0 HZ2 LYS A 109 -3.722 2.141 -19.158 1.00 4.51 H new ATOM 0 HZ3 LYS A 109 -4.195 2.924 -17.727 1.00 4.51 H new ATOM 1714 N VAL A 110 -3.486 -4.135 -14.397 1.00 0.77 N ATOM 1715 CA VAL A 110 -3.205 -4.723 -13.093 1.00 0.74 C ATOM 1716 C VAL A 110 -1.890 -5.491 -13.207 1.00 0.81 C ATOM 1717 O VAL A 110 -1.649 -6.129 -14.233 1.00 0.95 O ATOM 1718 CB VAL A 110 -4.379 -5.600 -12.610 1.00 0.78 C ATOM 1719 CG1 VAL A 110 -4.861 -6.615 -13.660 1.00 0.91 C ATOM 1720 CG2 VAL A 110 -4.080 -6.332 -11.294 1.00 0.80 C ATOM 0 H VAL A 110 -3.176 -4.728 -15.167 1.00 0.77 H new ATOM 0 HA VAL A 110 -3.098 -3.949 -12.333 1.00 0.74 H new ATOM 0 HB VAL A 110 -5.185 -4.887 -12.436 1.00 0.78 H new ATOM 0 HG11 VAL A 110 -5.687 -7.196 -13.251 1.00 0.91 H new ATOM 0 HG12 VAL A 110 -5.196 -6.085 -14.552 1.00 0.91 H new ATOM 0 HG13 VAL A 110 -4.041 -7.284 -13.922 1.00 0.91 H new ATOM 0 HG21 VAL A 110 -4.944 -6.932 -11.007 1.00 0.80 H new ATOM 0 HG22 VAL A 110 -3.215 -6.982 -11.427 1.00 0.80 H new ATOM 0 HG23 VAL A 110 -3.869 -5.603 -10.512 1.00 0.80 H new ATOM 1730 N LEU A 111 -1.023 -5.367 -12.200 1.00 0.76 N ATOM 1731 CA LEU A 111 0.288 -6.013 -12.152 1.00 0.81 C ATOM 1732 C LEU A 111 0.416 -6.757 -10.825 1.00 0.83 C ATOM 1733 O LEU A 111 0.493 -6.140 -9.762 1.00 0.95 O ATOM 1734 CB LEU A 111 1.408 -4.963 -12.306 1.00 0.90 C ATOM 1735 CG LEU A 111 1.423 -4.193 -13.644 1.00 1.05 C ATOM 1736 CD1 LEU A 111 2.495 -3.094 -13.600 1.00 1.57 C ATOM 1737 CD2 LEU A 111 1.701 -5.117 -14.842 1.00 1.49 C ATOM 0 H LEU A 111 -1.219 -4.800 -11.375 1.00 0.76 H new ATOM 0 HA LEU A 111 0.385 -6.722 -12.974 1.00 0.81 H new ATOM 0 HB2 LEU A 111 1.319 -4.242 -11.494 1.00 0.90 H new ATOM 0 HB3 LEU A 111 2.369 -5.463 -12.185 1.00 0.90 H new ATOM 0 HG LEU A 111 0.433 -3.756 -13.777 1.00 1.05 H new ATOM 0 HD11 LEU A 111 2.501 -2.554 -14.547 1.00 1.57 H new ATOM 0 HD12 LEU A 111 2.273 -2.401 -12.788 1.00 1.57 H new ATOM 0 HD13 LEU A 111 3.473 -3.546 -13.434 1.00 1.57 H new ATOM 0 HD21 LEU A 111 1.702 -4.531 -15.761 1.00 1.49 H new ATOM 0 HD22 LEU A 111 2.673 -5.595 -14.715 1.00 1.49 H new ATOM 0 HD23 LEU A 111 0.926 -5.881 -14.900 1.00 1.49 H new ATOM 1749 N LYS A 112 0.437 -8.090 -10.880 1.00 0.88 N ATOM 1750 CA LYS A 112 0.541 -8.912 -9.675 1.00 0.95 C ATOM 1751 C LYS A 112 1.996 -9.022 -9.189 1.00 1.00 C ATOM 1752 O LYS A 112 2.869 -9.476 -9.928 1.00 1.27 O ATOM 1753 CB LYS A 112 -0.125 -10.277 -9.913 1.00 1.16 C ATOM 1754 CG LYS A 112 -0.425 -10.962 -8.568 1.00 1.74 C ATOM 1755 CD LYS A 112 -1.383 -12.152 -8.677 1.00 1.73 C ATOM 1756 CE LYS A 112 -0.863 -13.236 -9.625 1.00 1.55 C ATOM 1757 NZ LYS A 112 -1.472 -14.546 -9.306 1.00 2.30 N ATOM 0 H LYS A 112 0.383 -8.623 -11.748 1.00 0.88 H new ATOM 0 HA LYS A 112 0.000 -8.425 -8.863 1.00 0.95 H new ATOM 0 HB2 LYS A 112 -1.048 -10.146 -10.477 1.00 1.16 H new ATOM 0 HB3 LYS A 112 0.529 -10.909 -10.514 1.00 1.16 H new ATOM 0 HG2 LYS A 112 0.512 -11.302 -8.128 1.00 1.74 H new ATOM 0 HG3 LYS A 112 -0.850 -10.227 -7.884 1.00 1.74 H new ATOM 0 HD2 LYS A 112 -1.537 -12.582 -7.687 1.00 1.73 H new ATOM 0 HD3 LYS A 112 -2.354 -11.802 -9.027 1.00 1.73 H new ATOM 0 HE2 LYS A 112 -1.091 -12.965 -10.656 1.00 1.55 H new ATOM 0 HE3 LYS A 112 0.222 -13.305 -9.546 1.00 1.55 H new ATOM 0 HZ1 LYS A 112 -0.828 -15.309 -9.599 1.00 2.30 H new ATOM 0 HZ2 LYS A 112 -1.641 -14.610 -8.282 1.00 2.30 H new ATOM 0 HZ3 LYS A 112 -2.375 -14.642 -9.813 1.00 2.30 H new ATOM 1771 N VAL A 113 2.245 -8.617 -7.942 1.00 0.84 N ATOM 1772 CA VAL A 113 3.537 -8.724 -7.243 1.00 0.87 C ATOM 1773 C VAL A 113 3.417 -9.678 -6.051 1.00 0.82 C ATOM 1774 O VAL A 113 2.309 -9.974 -5.610 1.00 0.82 O ATOM 1775 CB VAL A 113 4.070 -7.345 -6.775 1.00 0.92 C ATOM 1776 CG1 VAL A 113 4.239 -6.382 -7.963 1.00 1.12 C ATOM 1777 CG2 VAL A 113 3.216 -6.683 -5.678 1.00 1.14 C ATOM 0 H VAL A 113 1.524 -8.186 -7.363 1.00 0.84 H new ATOM 0 HA VAL A 113 4.258 -9.123 -7.956 1.00 0.87 H new ATOM 0 HB VAL A 113 5.043 -7.551 -6.329 1.00 0.92 H new ATOM 0 HG11 VAL A 113 4.614 -5.424 -7.604 1.00 1.12 H new ATOM 0 HG12 VAL A 113 4.947 -6.805 -8.676 1.00 1.12 H new ATOM 0 HG13 VAL A 113 3.276 -6.235 -8.452 1.00 1.12 H new ATOM 0 HG21 VAL A 113 3.654 -5.723 -5.405 1.00 1.14 H new ATOM 0 HG22 VAL A 113 2.203 -6.527 -6.050 1.00 1.14 H new ATOM 0 HG23 VAL A 113 3.185 -7.330 -4.801 1.00 1.14 H new ATOM 1787 N VAL A 114 4.555 -10.125 -5.519 1.00 0.87 N ATOM 1788 CA VAL A 114 4.641 -10.812 -4.225 1.00 0.84 C ATOM 1789 C VAL A 114 5.329 -9.889 -3.214 1.00 0.88 C ATOM 1790 O VAL A 114 6.215 -9.118 -3.589 1.00 1.08 O ATOM 1791 CB VAL A 114 5.350 -12.183 -4.359 1.00 1.07 C ATOM 1792 CG1 VAL A 114 6.848 -12.061 -4.694 1.00 1.91 C ATOM 1793 CG2 VAL A 114 5.136 -13.049 -3.110 1.00 2.03 C ATOM 0 H VAL A 114 5.459 -10.019 -5.980 1.00 0.87 H new ATOM 0 HA VAL A 114 3.638 -11.032 -3.860 1.00 0.84 H new ATOM 0 HB VAL A 114 4.882 -12.681 -5.209 1.00 1.07 H new ATOM 0 HG11 VAL A 114 7.285 -13.056 -4.774 1.00 1.91 H new ATOM 0 HG12 VAL A 114 6.967 -11.535 -5.641 1.00 1.91 H new ATOM 0 HG13 VAL A 114 7.353 -11.505 -3.904 1.00 1.91 H new ATOM 0 HG21 VAL A 114 5.647 -14.004 -3.237 1.00 2.03 H new ATOM 0 HG22 VAL A 114 5.540 -12.535 -2.237 1.00 2.03 H new ATOM 0 HG23 VAL A 114 4.070 -13.224 -2.967 1.00 2.03 H new ATOM 1803 N LEU A 115 4.920 -9.966 -1.944 1.00 0.80 N ATOM 1804 CA LEU A 115 5.604 -9.352 -0.798 1.00 0.84 C ATOM 1805 C LEU A 115 5.646 -10.359 0.367 1.00 0.81 C ATOM 1806 O LEU A 115 4.659 -11.083 0.559 1.00 0.90 O ATOM 1807 CB LEU A 115 4.854 -8.092 -0.309 1.00 0.97 C ATOM 1808 CG LEU A 115 4.619 -6.975 -1.344 1.00 1.12 C ATOM 1809 CD1 LEU A 115 3.597 -5.982 -0.771 1.00 1.58 C ATOM 1810 CD2 LEU A 115 5.922 -6.242 -1.695 1.00 1.48 C ATOM 0 H LEU A 115 4.077 -10.473 -1.675 1.00 0.80 H new ATOM 0 HA LEU A 115 6.609 -9.073 -1.116 1.00 0.84 H new ATOM 0 HB2 LEU A 115 3.885 -8.404 0.080 1.00 0.97 H new ATOM 0 HB3 LEU A 115 5.411 -7.668 0.527 1.00 0.97 H new ATOM 0 HG LEU A 115 4.241 -7.424 -2.263 1.00 1.12 H new ATOM 0 HD11 LEU A 115 3.420 -5.185 -1.493 1.00 1.58 H new ATOM 0 HD12 LEU A 115 2.660 -6.501 -0.567 1.00 1.58 H new ATOM 0 HD13 LEU A 115 3.984 -5.555 0.154 1.00 1.58 H new ATOM 0 HD21 LEU A 115 5.715 -5.462 -2.428 1.00 1.48 H new ATOM 0 HD22 LEU A 115 6.340 -5.792 -0.795 1.00 1.48 H new ATOM 0 HD23 LEU A 115 6.637 -6.951 -2.112 1.00 1.48 H new ATOM 1822 N PRO A 116 6.711 -10.376 1.189 1.00 0.78 N ATOM 1823 CA PRO A 116 6.717 -11.105 2.447 1.00 0.81 C ATOM 1824 C PRO A 116 5.751 -10.455 3.446 1.00 0.81 C ATOM 1825 O PRO A 116 5.484 -9.253 3.402 1.00 0.85 O ATOM 1826 CB PRO A 116 8.164 -11.051 2.946 1.00 0.90 C ATOM 1827 CG PRO A 116 8.673 -9.728 2.376 1.00 0.90 C ATOM 1828 CD PRO A 116 7.962 -9.648 1.026 1.00 0.82 C ATOM 0 HA PRO A 116 6.383 -12.136 2.327 1.00 0.81 H new ATOM 0 HB2 PRO A 116 8.217 -11.069 4.035 1.00 0.90 H new ATOM 0 HB3 PRO A 116 8.748 -11.898 2.585 1.00 0.90 H new ATOM 0 HG2 PRO A 116 8.418 -8.885 3.019 1.00 0.90 H new ATOM 0 HG3 PRO A 116 9.757 -9.726 2.263 1.00 0.90 H new ATOM 0 HD2 PRO A 116 7.777 -8.612 0.743 1.00 0.82 H new ATOM 0 HD3 PRO A 116 8.571 -10.090 0.237 1.00 0.82 H new ATOM 1836 N VAL A 117 5.260 -11.246 4.394 1.00 0.85 N ATOM 1837 CA VAL A 117 4.593 -10.753 5.592 1.00 0.90 C ATOM 1838 C VAL A 117 5.645 -10.547 6.690 1.00 0.95 C ATOM 1839 O VAL A 117 6.524 -11.391 6.877 1.00 1.07 O ATOM 1840 CB VAL A 117 3.492 -11.731 6.028 1.00 1.01 C ATOM 1841 CG1 VAL A 117 2.793 -11.264 7.300 1.00 1.17 C ATOM 1842 CG2 VAL A 117 2.419 -11.889 4.940 1.00 1.02 C ATOM 0 H VAL A 117 5.316 -12.264 4.350 1.00 0.85 H new ATOM 0 HA VAL A 117 4.108 -9.798 5.391 1.00 0.90 H new ATOM 0 HB VAL A 117 3.991 -12.683 6.207 1.00 1.01 H new ATOM 0 HG11 VAL A 117 2.021 -11.982 7.576 1.00 1.17 H new ATOM 0 HG12 VAL A 117 3.521 -11.186 8.107 1.00 1.17 H new ATOM 0 HG13 VAL A 117 2.337 -10.289 7.127 1.00 1.17 H new ATOM 0 HG21 VAL A 117 1.655 -12.588 5.281 1.00 1.02 H new ATOM 0 HG22 VAL A 117 1.961 -10.921 4.738 1.00 1.02 H new ATOM 0 HG23 VAL A 117 2.879 -12.271 4.028 1.00 1.02 H new ATOM 1852 N GLU A 118 5.546 -9.441 7.429 1.00 0.94 N ATOM 1853 CA GLU A 118 6.555 -8.994 8.398 1.00 1.01 C ATOM 1854 C GLU A 118 5.895 -8.186 9.536 1.00 1.16 C ATOM 1855 O GLU A 118 4.766 -7.703 9.403 1.00 1.36 O ATOM 1856 CB GLU A 118 7.658 -8.218 7.642 1.00 1.17 C ATOM 1857 CG GLU A 118 9.089 -8.593 8.041 1.00 1.53 C ATOM 1858 CD GLU A 118 9.507 -7.888 9.319 1.00 2.14 C ATOM 1859 OE1 GLU A 118 9.984 -6.738 9.216 1.00 2.95 O ATOM 1860 OE2 GLU A 118 9.305 -8.475 10.402 1.00 3.02 O ATOM 0 H GLU A 118 4.743 -8.814 7.371 1.00 0.94 H new ATOM 0 HA GLU A 118 7.029 -9.846 8.885 1.00 1.01 H new ATOM 0 HB2 GLU A 118 7.536 -8.389 6.572 1.00 1.17 H new ATOM 0 HB3 GLU A 118 7.515 -7.151 7.812 1.00 1.17 H new ATOM 0 HG2 GLU A 118 9.160 -9.672 8.178 1.00 1.53 H new ATOM 0 HG3 GLU A 118 9.775 -8.328 7.236 1.00 1.53 H new ATOM 1867 N ALA A 119 6.566 -8.109 10.688 1.00 1.26 N ATOM 1868 CA ALA A 119 6.040 -7.607 11.956 1.00 1.41 C ATOM 1869 C ALA A 119 6.532 -6.190 12.276 1.00 1.53 C ATOM 1870 O ALA A 119 7.329 -5.976 13.192 1.00 2.02 O ATOM 1871 CB ALA A 119 6.376 -8.628 13.054 1.00 1.64 C ATOM 0 H ALA A 119 7.538 -8.410 10.763 1.00 1.26 H new ATOM 0 HA ALA A 119 4.957 -7.506 11.889 1.00 1.41 H new ATOM 0 HB1 ALA A 119 5.992 -8.273 14.011 1.00 1.64 H new ATOM 0 HB2 ALA A 119 5.917 -9.587 12.812 1.00 1.64 H new ATOM 0 HB3 ALA A 119 7.457 -8.749 13.119 1.00 1.64 H new ATOM 1877 N ARG A 120 6.005 -5.211 11.532 1.00 1.51 N ATOM 1878 CA ARG A 120 6.216 -3.771 11.767 1.00 1.67 C ATOM 1879 C ARG A 120 4.908 -3.011 11.603 1.00 1.89 C ATOM 1880 O ARG A 120 4.421 -2.438 12.599 1.00 2.23 O ATOM 1881 CB ARG A 120 7.355 -3.192 10.893 1.00 2.02 C ATOM 1882 CG ARG A 120 8.252 -4.218 10.165 1.00 2.19 C ATOM 1883 CD ARG A 120 9.529 -3.574 9.613 1.00 2.59 C ATOM 1884 NE ARG A 120 10.463 -3.225 10.703 1.00 2.99 N ATOM 1885 CZ ARG A 120 11.202 -4.083 11.383 1.00 3.79 C ATOM 1886 NH1 ARG A 120 11.312 -5.340 11.079 1.00 4.37 N ATOM 1887 NH2 ARG A 120 11.874 -3.674 12.421 1.00 4.83 N ATOM 1888 OXT ARG A 120 4.328 -3.066 10.497 1.00 2.63 O ATOM 0 H ARG A 120 5.405 -5.399 10.729 1.00 1.51 H new ATOM 0 HA ARG A 120 6.547 -3.643 12.798 1.00 1.67 H new ATOM 0 HB2 ARG A 120 6.911 -2.535 10.145 1.00 2.02 H new ATOM 0 HB3 ARG A 120 7.990 -2.572 11.526 1.00 2.02 H new ATOM 0 HG2 ARG A 120 8.519 -5.020 10.854 1.00 2.19 H new ATOM 0 HG3 ARG A 120 7.693 -4.673 9.348 1.00 2.19 H new ATOM 0 HD2 ARG A 120 10.015 -4.260 8.919 1.00 2.59 H new ATOM 0 HD3 ARG A 120 9.273 -2.677 9.048 1.00 2.59 H new ATOM 0 HE ARG A 120 10.544 -2.239 10.951 1.00 2.99 H new ATOM 0 HH11 ARG A 120 10.811 -5.716 10.274 1.00 4.37 H new ATOM 0 HH12 ARG A 120 11.900 -5.952 11.645 1.00 4.37 H new ATOM 0 HH21 ARG A 120 11.828 -2.695 12.705 1.00 4.83 H new ATOM 0 HH22 ARG A 120 12.446 -4.332 12.950 1.00 4.83 H new