USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 826 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 25 THR OG1 : rot -74:sc= 0.372 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.859 K(o=-0.49,f=-6.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -44:sc= -0.694 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 17 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.73) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00598 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0.0676 (180deg=0.00275) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 62:sc= -0.0903 USER MOD Single : A 41 SER OG : rot -158:sc= -0.165 USER MOD Single : A 43 TYR OH : rot -86:sc= 1.32 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 89:sc= 0.0751 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0757 USER MOD Single : A 74 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 75 ASN : amide:sc= -0.869 K(o=-0.87,f=-1.6!) USER MOD Single : A 76 MET CE :methyl -138:sc= -2.84 (180deg=-3.7!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.326 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc=-0.000397 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.387 F(o=-2.4,f=-0.39) USER MOD Single : A 100 SER OG : rot 180:sc= 0.363 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -121:sc= -2.06 (180deg=-6.53!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 46:sc= -0.833 USER MOD Single : A 106 SER OG : rot 180:sc= 0.059 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 17.006 6.341 -7.333 1.00 0.00 N ATOM 26 CA ILE A 3 17.771 5.715 -8.404 1.00 0.00 C ATOM 27 C ILE A 3 18.699 4.634 -7.859 1.00 0.00 C ATOM 28 O ILE A 3 19.068 4.652 -6.684 1.00 0.00 O ATOM 29 CB ILE A 3 18.607 6.751 -9.179 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.790 8.022 -9.417 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.085 6.165 -10.499 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.543 9.090 -10.180 1.00 0.00 C ATOM 0 HA ILE A 3 17.049 5.261 -9.083 1.00 0.00 H new ATOM 0 HB ILE A 3 19.481 7.011 -8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.884 7.765 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.475 8.427 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.674 6.909 -11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.700 5.286 -10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.224 5.880 -11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.903 9.962 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.435 9.376 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.835 8.703 -11.156 1.00 0.00 H new ATOM 44 N LYS A 4 19.074 3.695 -8.720 1.00 0.00 N ATOM 45 CA LYS A 4 19.962 2.607 -8.327 1.00 0.00 C ATOM 46 C LYS A 4 21.266 3.150 -7.750 1.00 0.00 C ATOM 47 O LYS A 4 21.846 4.095 -8.283 1.00 0.00 O ATOM 48 CB LYS A 4 20.260 1.705 -9.527 1.00 0.00 C ATOM 49 CG LYS A 4 21.218 0.570 -9.212 1.00 0.00 C ATOM 50 CD LYS A 4 20.511 -0.775 -9.214 1.00 0.00 C ATOM 51 CE LYS A 4 20.177 -1.226 -10.628 1.00 0.00 C ATOM 52 NZ LYS A 4 19.586 -2.592 -10.649 1.00 0.00 N ATOM 0 H LYS A 4 18.777 3.665 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 4 19.460 2.022 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.324 1.287 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.679 2.310 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.024 0.559 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.676 0.740 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.144 -1.521 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.595 -0.707 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.478 -0.521 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.081 -1.212 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.372 -2.863 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.262 -3.269 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.710 -2.600 -10.089 1.00 0.00 H new ATOM 66 N GLY A 5 21.722 2.544 -6.658 1.00 0.00 N ATOM 67 CA GLY A 5 22.955 2.981 -6.028 1.00 0.00 C ATOM 68 C GLY A 5 24.096 3.113 -7.017 1.00 0.00 C ATOM 69 O GLY A 5 24.981 3.951 -6.847 1.00 0.00 O ATOM 0 H GLY A 5 21.260 1.759 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.789 3.941 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.233 2.271 -5.250 1.00 0.00 H new ATOM 73 N VAL A 6 24.077 2.281 -8.055 1.00 0.00 N ATOM 74 CA VAL A 6 25.118 2.308 -9.075 1.00 0.00 C ATOM 75 C VAL A 6 24.591 2.888 -10.383 1.00 0.00 C ATOM 76 O VAL A 6 24.962 2.439 -11.468 1.00 0.00 O ATOM 77 CB VAL A 6 25.681 0.899 -9.340 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.009 0.984 -10.078 1.00 0.00 C ATOM 79 CG2 VAL A 6 25.835 0.133 -8.035 1.00 0.00 C ATOM 0 H VAL A 6 23.352 1.581 -8.211 1.00 0.00 H new ATOM 0 HA VAL A 6 25.917 2.944 -8.695 1.00 0.00 H new ATOM 0 HB VAL A 6 24.976 0.358 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.391 -0.021 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.863 1.491 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.725 1.543 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.234 -0.860 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.519 0.669 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.863 0.040 -7.551 1.00 0.00 H new ATOM 89 N THR A 7 23.724 3.889 -10.273 1.00 0.00 N ATOM 90 CA THR A 7 23.144 4.530 -11.447 1.00 0.00 C ATOM 91 C THR A 7 22.576 5.902 -11.100 1.00 0.00 C ATOM 92 O THR A 7 21.944 6.077 -10.058 1.00 0.00 O ATOM 93 CB THR A 7 22.029 3.667 -12.065 1.00 0.00 C ATOM 94 OG1 THR A 7 22.339 2.278 -11.907 1.00 0.00 O ATOM 95 CG2 THR A 7 21.852 3.987 -13.542 1.00 0.00 C ATOM 0 H THR A 7 23.408 4.274 -9.383 1.00 0.00 H new ATOM 0 HA THR A 7 23.948 4.646 -12.174 1.00 0.00 H new ATOM 0 HB THR A 7 21.097 3.892 -11.546 1.00 0.00 H new ATOM 0 HG1 THR A 7 23.285 2.128 -12.116 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.059 3.365 -13.957 1.00 0.00 H new ATOM 0 HG22 THR A 7 21.587 5.038 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 7 22.784 3.788 -14.072 1.00 0.00 H new ATOM 103 N PHE A 8 22.806 6.872 -11.979 1.00 0.00 N ATOM 104 CA PHE A 8 22.317 8.229 -11.765 1.00 0.00 C ATOM 105 C PHE A 8 22.497 9.076 -13.021 1.00 0.00 C ATOM 106 O PHE A 8 23.594 9.164 -13.571 1.00 0.00 O ATOM 107 CB PHE A 8 23.049 8.878 -10.588 1.00 0.00 C ATOM 108 CG PHE A 8 24.541 8.910 -10.755 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.305 7.782 -10.501 1.00 0.00 C ATOM 110 CD2 PHE A 8 25.181 10.068 -11.167 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.678 7.809 -10.653 1.00 0.00 C ATOM 112 CE2 PHE A 8 26.554 10.101 -11.322 1.00 0.00 C ATOM 113 CZ PHE A 8 27.303 8.970 -11.065 1.00 0.00 C ATOM 0 H PHE A 8 23.328 6.743 -12.846 1.00 0.00 H new ATOM 0 HA PHE A 8 21.253 8.173 -11.535 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.684 9.897 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.805 8.335 -9.675 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.821 6.871 -10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 8 24.600 10.956 -11.369 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.262 6.923 -10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 8 27.040 11.010 -11.644 1.00 0.00 H new ATOM 0 HZ PHE A 8 28.376 8.993 -11.186 1.00 0.00 H new ATOM 123 N GLY A 9 21.411 9.699 -13.469 1.00 0.00 N ATOM 124 CA GLY A 9 21.469 10.530 -14.656 1.00 0.00 C ATOM 125 C GLY A 9 22.094 9.813 -15.836 1.00 0.00 C ATOM 126 O GLY A 9 22.949 10.368 -16.526 1.00 0.00 O ATOM 0 H GLY A 9 20.492 9.642 -13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.461 10.850 -14.921 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.042 11.431 -14.437 1.00 0.00 H new ATOM 130 N GLU A 10 21.668 8.575 -16.068 1.00 0.00 N ATOM 131 CA GLU A 10 22.194 7.780 -17.172 1.00 0.00 C ATOM 132 C GLU A 10 21.369 7.994 -18.438 1.00 0.00 C ATOM 133 O GLU A 10 21.900 7.970 -19.548 1.00 0.00 O ATOM 134 CB GLU A 10 22.204 6.296 -16.801 1.00 0.00 C ATOM 135 CG GLU A 10 23.419 5.880 -15.988 1.00 0.00 C ATOM 136 CD GLU A 10 24.678 5.786 -16.827 1.00 0.00 C ATOM 137 OE1 GLU A 10 25.319 6.834 -17.053 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.023 4.666 -17.258 1.00 0.00 O ATOM 0 H GLU A 10 20.960 8.101 -15.507 1.00 0.00 H new ATOM 0 HA GLU A 10 23.216 8.105 -17.366 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.302 6.066 -16.234 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.167 5.702 -17.714 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.576 6.598 -15.183 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.225 4.915 -15.521 1.00 0.00 H new ATOM 145 N ASP A 11 20.069 8.203 -18.261 1.00 0.00 N ATOM 146 CA ASP A 11 19.170 8.422 -19.389 1.00 0.00 C ATOM 147 C ASP A 11 17.871 9.074 -18.928 1.00 0.00 C ATOM 148 O ASP A 11 17.597 10.232 -19.247 1.00 0.00 O ATOM 149 CB ASP A 11 18.869 7.098 -20.092 1.00 0.00 C ATOM 150 CG ASP A 11 18.419 7.294 -21.527 1.00 0.00 C ATOM 151 OD1 ASP A 11 17.271 7.740 -21.733 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.216 7.002 -22.443 1.00 0.00 O ATOM 0 H ASP A 11 19.614 8.225 -17.348 1.00 0.00 H new ATOM 0 HA ASP A 11 19.664 9.093 -20.092 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.760 6.471 -20.076 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.094 6.565 -19.541 1.00 0.00 H new ATOM 157 N THR A 12 17.071 8.324 -18.177 1.00 0.00 N ATOM 158 CA THR A 12 15.799 8.828 -17.674 1.00 0.00 C ATOM 159 C THR A 12 15.228 7.908 -16.601 1.00 0.00 C ATOM 160 O THR A 12 15.756 6.824 -16.354 1.00 0.00 O ATOM 161 CB THR A 12 14.767 8.978 -18.808 1.00 0.00 C ATOM 162 OG1 THR A 12 13.603 9.657 -18.324 1.00 0.00 O ATOM 163 CG2 THR A 12 14.372 7.618 -19.364 1.00 0.00 C ATOM 0 H THR A 12 17.282 7.364 -17.903 1.00 0.00 H new ATOM 0 HA THR A 12 15.997 9.808 -17.240 1.00 0.00 H new ATOM 0 HB THR A 12 15.222 9.562 -19.608 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.953 9.750 -19.051 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.643 7.750 -20.163 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.255 7.115 -19.758 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.935 7.013 -18.570 1.00 0.00 H new ATOM 171 N VAL A 13 14.147 8.348 -15.966 1.00 0.00 N ATOM 172 CA VAL A 13 13.503 7.563 -14.919 1.00 0.00 C ATOM 173 C VAL A 13 12.506 6.572 -15.510 1.00 0.00 C ATOM 174 O VAL A 13 12.104 6.696 -16.667 1.00 0.00 O ATOM 175 CB VAL A 13 12.773 8.467 -13.908 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.650 7.770 -12.561 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.496 9.798 -13.765 1.00 0.00 C ATOM 0 H VAL A 13 13.698 9.244 -16.158 1.00 0.00 H new ATOM 0 HA VAL A 13 14.292 7.016 -14.403 1.00 0.00 H new ATOM 0 HB VAL A 13 11.768 8.664 -14.282 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.132 8.423 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.086 6.845 -12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.644 7.542 -12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.967 10.424 -13.047 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.513 9.624 -13.414 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.527 10.301 -14.732 1.00 0.00 H new ATOM 187 N TRP A 14 12.111 5.590 -14.709 1.00 0.00 N ATOM 188 CA TRP A 14 11.160 4.577 -15.152 1.00 0.00 C ATOM 189 C TRP A 14 11.717 3.787 -16.332 1.00 0.00 C ATOM 190 O TRP A 14 10.971 3.126 -17.054 1.00 0.00 O ATOM 191 CB TRP A 14 9.833 5.230 -15.540 1.00 0.00 C ATOM 192 CG TRP A 14 8.983 5.594 -14.360 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.202 6.610 -13.475 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.780 4.943 -13.938 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.208 6.630 -12.526 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.323 5.618 -12.789 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.043 3.857 -14.419 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.164 5.240 -12.116 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.893 3.484 -13.749 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.462 4.174 -12.609 1.00 0.00 C ATOM 0 H TRP A 14 12.434 5.473 -13.749 1.00 0.00 H new ATOM 0 HA TRP A 14 10.989 3.887 -14.325 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.035 6.128 -16.124 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.276 4.550 -16.184 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.034 7.297 -13.515 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.140 7.291 -11.752 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.366 3.319 -15.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.831 5.770 -11.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.317 2.646 -14.111 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.558 3.859 -12.109 1.00 0.00 H new ATOM 211 N GLU A 15 13.030 3.862 -16.522 1.00 0.00 N ATOM 212 CA GLU A 15 13.685 3.154 -17.616 1.00 0.00 C ATOM 213 C GLU A 15 15.000 2.534 -17.153 1.00 0.00 C ATOM 214 O GLU A 15 15.339 1.413 -17.534 1.00 0.00 O ATOM 215 CB GLU A 15 13.941 4.104 -18.787 1.00 0.00 C ATOM 216 CG GLU A 15 12.755 4.246 -19.726 1.00 0.00 C ATOM 217 CD GLU A 15 12.944 3.486 -21.025 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.830 3.874 -21.814 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.206 2.505 -21.251 1.00 0.00 O ATOM 0 H GLU A 15 13.661 4.405 -15.933 1.00 0.00 H new ATOM 0 HA GLU A 15 13.022 2.354 -17.945 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.204 5.087 -18.396 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.801 3.746 -19.353 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.856 3.886 -19.226 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.596 5.301 -19.947 1.00 0.00 H new ATOM 226 N VAL A 16 15.737 3.271 -16.329 1.00 0.00 N ATOM 227 CA VAL A 16 17.015 2.795 -15.813 1.00 0.00 C ATOM 228 C VAL A 16 17.031 2.805 -14.288 1.00 0.00 C ATOM 229 O VAL A 16 17.698 1.985 -13.659 1.00 0.00 O ATOM 230 CB VAL A 16 18.185 3.651 -16.333 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.121 5.054 -15.748 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.515 2.989 -16.008 1.00 0.00 C ATOM 0 H VAL A 16 15.471 4.201 -16.004 1.00 0.00 H new ATOM 0 HA VAL A 16 17.137 1.772 -16.168 1.00 0.00 H new ATOM 0 HB VAL A 16 18.101 3.731 -17.417 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.955 5.644 -16.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.182 5.526 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.180 4.998 -14.661 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.330 3.608 -16.383 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.611 2.877 -14.928 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.558 2.007 -16.480 1.00 0.00 H new ATOM 242 N GLN A 17 16.290 3.740 -13.701 1.00 0.00 N ATOM 243 CA GLN A 17 16.219 3.857 -12.249 1.00 0.00 C ATOM 244 C GLN A 17 15.896 2.511 -11.610 1.00 0.00 C ATOM 245 O GLN A 17 16.587 2.065 -10.695 1.00 0.00 O ATOM 246 CB GLN A 17 15.164 4.891 -11.851 1.00 0.00 C ATOM 247 CG GLN A 17 14.570 4.654 -10.472 1.00 0.00 C ATOM 248 CD GLN A 17 13.814 5.858 -9.947 1.00 0.00 C ATOM 249 OE1 GLN A 17 14.403 6.769 -9.364 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.502 5.870 -10.151 1.00 0.00 N ATOM 0 H GLN A 17 15.731 4.426 -14.208 1.00 0.00 H new ATOM 0 HA GLN A 17 17.194 4.185 -11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.612 5.884 -11.879 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.362 4.882 -12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.898 3.797 -10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.369 4.399 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.055 5.094 -10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.942 6.655 -9.820 1.00 0.00 H new ATOM 259 N GLY A 18 14.839 1.868 -12.097 1.00 0.00 N ATOM 260 CA GLY A 18 14.442 0.579 -11.561 1.00 0.00 C ATOM 261 C GLY A 18 13.413 0.703 -10.455 1.00 0.00 C ATOM 262 O GLY A 18 13.398 -0.096 -9.519 1.00 0.00 O ATOM 0 H GLY A 18 14.250 2.217 -12.853 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.035 -0.035 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.322 0.062 -11.178 1.00 0.00 H new ATOM 266 N TYR A 19 12.551 1.708 -10.562 1.00 0.00 N ATOM 267 CA TYR A 19 11.515 1.937 -9.561 1.00 0.00 C ATOM 268 C TYR A 19 10.247 2.488 -10.206 1.00 0.00 C ATOM 269 O TYR A 19 10.274 2.987 -11.331 1.00 0.00 O ATOM 270 CB TYR A 19 12.018 2.905 -8.489 1.00 0.00 C ATOM 271 CG TYR A 19 12.733 2.223 -7.345 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.021 1.607 -6.323 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.121 2.193 -7.286 1.00 0.00 C ATOM 274 CE1 TYR A 19 12.671 0.984 -5.275 1.00 0.00 C ATOM 275 CE2 TYR A 19 14.779 1.571 -6.243 1.00 0.00 C ATOM 276 CZ TYR A 19 14.050 0.968 -5.240 1.00 0.00 C ATOM 277 OH TYR A 19 14.700 0.347 -4.199 1.00 0.00 O ATOM 0 H TYR A 19 12.549 2.377 -11.332 1.00 0.00 H new ATOM 0 HA TYR A 19 11.277 0.981 -9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.693 3.626 -8.950 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.172 3.468 -8.094 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.941 1.615 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.695 2.664 -8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.102 0.512 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.859 1.557 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 19 15.669 0.425 -4.325 1.00 0.00 H new ATOM 287 N LYS A 20 9.136 2.395 -9.483 1.00 0.00 N ATOM 288 CA LYS A 20 7.856 2.885 -9.981 1.00 0.00 C ATOM 289 C LYS A 20 7.042 3.518 -8.857 1.00 0.00 C ATOM 290 O LYS A 20 7.509 3.625 -7.724 1.00 0.00 O ATOM 291 CB LYS A 20 7.062 1.742 -10.618 1.00 0.00 C ATOM 292 CG LYS A 20 7.535 1.378 -12.015 1.00 0.00 C ATOM 293 CD LYS A 20 8.683 0.383 -11.973 1.00 0.00 C ATOM 294 CE LYS A 20 8.574 -0.641 -13.093 1.00 0.00 C ATOM 295 NZ LYS A 20 9.171 -0.140 -14.362 1.00 0.00 N ATOM 0 H LYS A 20 9.096 1.985 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 20 8.055 3.646 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.132 0.862 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.009 2.022 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.706 0.955 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.852 2.279 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.631 0.915 -12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.688 -0.128 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.076 -1.561 -12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.525 -0.889 -13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.077 -0.866 -15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.676 0.724 -14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.178 0.073 -14.212 1.00 0.00 H new ATOM 309 N ASN A 21 5.822 3.936 -9.179 1.00 0.00 N ATOM 310 CA ASN A 21 4.943 4.558 -8.196 1.00 0.00 C ATOM 311 C ASN A 21 3.529 3.995 -8.297 1.00 0.00 C ATOM 312 O ASN A 21 2.790 4.308 -9.231 1.00 0.00 O ATOM 313 CB ASN A 21 4.915 6.075 -8.394 1.00 0.00 C ATOM 314 CG ASN A 21 6.225 6.733 -8.005 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.348 7.307 -6.923 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.213 6.653 -8.890 1.00 0.00 N ATOM 0 H ASN A 21 5.420 3.855 -10.113 1.00 0.00 H new ATOM 0 HA ASN A 21 5.334 4.335 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.695 6.298 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.107 6.501 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.117 7.077 -8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.067 6.167 -9.775 1.00 0.00 H new ATOM 323 N VAL A 22 3.158 3.163 -7.329 1.00 0.00 N ATOM 324 CA VAL A 22 1.832 2.558 -7.307 1.00 0.00 C ATOM 325 C VAL A 22 1.055 2.981 -6.066 1.00 0.00 C ATOM 326 O VAL A 22 1.481 2.731 -4.938 1.00 0.00 O ATOM 327 CB VAL A 22 1.917 1.020 -7.346 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.809 0.505 -6.227 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.527 0.408 -7.256 1.00 0.00 C ATOM 0 H VAL A 22 3.758 2.893 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 22 1.309 2.909 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 22 2.360 0.722 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.856 -0.583 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.812 0.917 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.399 0.812 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.605 -0.679 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.055 0.713 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.077 0.751 -8.096 1.00 0.00 H new ATOM 339 N ARG A 23 -0.089 3.624 -6.281 1.00 0.00 N ATOM 340 CA ARG A 23 -0.926 4.083 -5.180 1.00 0.00 C ATOM 341 C ARG A 23 -2.077 3.113 -4.931 1.00 0.00 C ATOM 342 O ARG A 23 -2.579 2.478 -5.860 1.00 0.00 O ATOM 343 CB ARG A 23 -1.477 5.479 -5.477 1.00 0.00 C ATOM 344 CG ARG A 23 -2.149 6.136 -4.283 1.00 0.00 C ATOM 345 CD ARG A 23 -1.515 7.479 -3.957 1.00 0.00 C ATOM 346 NE ARG A 23 -2.516 8.490 -3.623 1.00 0.00 N ATOM 347 CZ ARG A 23 -3.278 9.095 -4.527 1.00 0.00 C ATOM 348 NH1 ARG A 23 -3.155 8.794 -5.812 1.00 0.00 N ATOM 349 NH2 ARG A 23 -4.166 10.004 -4.146 1.00 0.00 N ATOM 0 H ARG A 23 -0.457 3.838 -7.208 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.309 4.127 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.662 6.116 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.195 5.411 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.210 6.274 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.078 5.479 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.826 7.361 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.927 7.819 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.636 8.745 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.473 8.096 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.742 9.261 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.264 10.239 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.751 10.468 -4.841 1.00 0.00 H new ATOM 363 N ILE A 24 -2.490 3.003 -3.673 1.00 0.00 N ATOM 364 CA ILE A 24 -3.582 2.111 -3.303 1.00 0.00 C ATOM 365 C ILE A 24 -4.862 2.893 -3.027 1.00 0.00 C ATOM 366 O ILE A 24 -4.834 3.949 -2.394 1.00 0.00 O ATOM 367 CB ILE A 24 -3.228 1.274 -2.060 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.756 0.858 -2.100 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.127 0.049 -1.972 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.380 0.084 -3.344 1.00 0.00 C ATOM 0 H ILE A 24 -2.085 3.520 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.743 1.442 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.390 1.885 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.133 1.750 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.535 0.250 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.864 -0.532 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.168 0.366 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.994 -0.565 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.323 -0.178 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.977 -0.826 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.569 0.697 -4.225 1.00 0.00 H new ATOM 382 N THR A 25 -5.985 2.367 -3.506 1.00 0.00 N ATOM 383 CA THR A 25 -7.276 3.015 -3.311 1.00 0.00 C ATOM 384 C THR A 25 -8.422 2.032 -3.522 1.00 0.00 C ATOM 385 O THR A 25 -9.075 2.040 -4.566 1.00 0.00 O ATOM 386 CB THR A 25 -7.455 4.209 -4.268 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.358 5.119 -4.128 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.762 4.935 -3.988 1.00 0.00 C ATOM 0 H THR A 25 -6.026 1.494 -4.032 1.00 0.00 H new ATOM 0 HA THR A 25 -7.296 3.377 -2.283 1.00 0.00 H new ATOM 0 HB THR A 25 -7.481 3.827 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.453 5.620 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.867 5.774 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.597 4.247 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.761 5.304 -2.963 1.00 0.00 H new ATOM 396 N PHE A 26 -8.662 1.187 -2.525 1.00 0.00 N ATOM 397 CA PHE A 26 -9.730 0.198 -2.602 1.00 0.00 C ATOM 398 C PHE A 26 -10.736 0.394 -1.472 1.00 0.00 C ATOM 399 O PHE A 26 -11.825 0.926 -1.682 1.00 0.00 O ATOM 400 CB PHE A 26 -9.149 -1.217 -2.543 1.00 0.00 C ATOM 401 CG PHE A 26 -10.194 -2.295 -2.543 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.764 -2.725 -3.730 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.606 -2.879 -1.356 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.727 -3.717 -3.732 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.568 -3.871 -1.352 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.129 -4.291 -2.542 1.00 0.00 C ATOM 0 H PHE A 26 -8.131 1.168 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.247 0.332 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.486 -1.365 -3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.539 -1.313 -1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.453 -2.281 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.170 -2.555 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.165 -4.043 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.881 -4.317 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.880 -5.067 -2.542 1.00 0.00 H new ATOM 416 N GLU A 27 -10.362 -0.042 -0.273 1.00 0.00 N ATOM 417 CA GLU A 27 -11.232 0.085 0.891 1.00 0.00 C ATOM 418 C GLU A 27 -10.585 -0.538 2.124 1.00 0.00 C ATOM 419 O GLU A 27 -9.864 -1.532 2.026 1.00 0.00 O ATOM 420 CB GLU A 27 -12.583 -0.580 0.620 1.00 0.00 C ATOM 421 CG GLU A 27 -13.767 0.358 0.787 1.00 0.00 C ATOM 422 CD GLU A 27 -15.022 -0.162 0.114 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.966 -0.457 -1.099 1.00 0.00 O ATOM 424 OE2 GLU A 27 -16.061 -0.273 0.798 1.00 0.00 O ATOM 0 H GLU A 27 -9.464 -0.486 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.389 1.147 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.586 -0.978 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.703 -1.427 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.963 0.504 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.514 1.334 0.372 1.00 0.00 H new ATOM 431 N LEU A 28 -10.847 0.053 3.285 1.00 0.00 N ATOM 432 CA LEU A 28 -10.290 -0.443 4.539 1.00 0.00 C ATOM 433 C LEU A 28 -11.071 0.098 5.733 1.00 0.00 C ATOM 434 O LEU A 28 -11.579 -0.666 6.553 1.00 0.00 O ATOM 435 CB LEU A 28 -8.817 -0.048 4.657 1.00 0.00 C ATOM 436 CG LEU A 28 -7.829 -1.198 4.858 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.396 -1.770 3.517 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.620 -0.728 5.655 1.00 0.00 C ATOM 0 H LEU A 28 -11.441 0.876 3.384 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.369 -1.530 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.534 0.495 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.713 0.645 5.492 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.327 -1.986 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.693 -2.587 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.269 -2.143 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.915 -0.990 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.927 -1.559 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.121 0.078 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.945 -0.366 6.630 1.00 0.00 H new ATOM 450 N ASP A 29 -11.164 1.420 5.822 1.00 0.00 N ATOM 451 CA ASP A 29 -11.886 2.064 6.913 1.00 0.00 C ATOM 452 C ASP A 29 -12.908 3.060 6.375 1.00 0.00 C ATOM 453 O ASP A 29 -12.961 3.322 5.174 1.00 0.00 O ATOM 454 CB ASP A 29 -10.908 2.775 7.850 1.00 0.00 C ATOM 455 CG ASP A 29 -11.248 2.561 9.312 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.255 3.134 9.776 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.507 1.820 9.992 1.00 0.00 O ATOM 0 H ASP A 29 -10.748 2.067 5.152 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.416 1.292 7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.898 2.414 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.911 3.843 7.632 1.00 0.00 H new ATOM 462 N GLU A 30 -13.719 3.611 7.273 1.00 0.00 N ATOM 463 CA GLU A 30 -14.741 4.577 6.887 1.00 0.00 C ATOM 464 C GLU A 30 -14.416 5.963 7.437 1.00 0.00 C ATOM 465 O GLU A 30 -14.468 6.957 6.714 1.00 0.00 O ATOM 466 CB GLU A 30 -16.115 4.127 7.389 1.00 0.00 C ATOM 467 CG GLU A 30 -16.751 3.044 6.532 1.00 0.00 C ATOM 468 CD GLU A 30 -18.039 3.501 5.876 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.973 4.355 4.968 1.00 0.00 O ATOM 470 OE2 GLU A 30 -19.114 3.003 6.272 1.00 0.00 O ATOM 0 H GLU A 30 -13.688 3.405 8.272 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.759 4.632 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.017 3.760 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.781 4.990 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.045 2.734 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.953 2.169 7.150 1.00 0.00 H new ATOM 477 N ARG A 31 -14.082 6.019 8.722 1.00 0.00 N ATOM 478 CA ARG A 31 -13.750 7.282 9.371 1.00 0.00 C ATOM 479 C ARG A 31 -12.324 7.708 9.034 1.00 0.00 C ATOM 480 O ARG A 31 -12.023 8.899 8.957 1.00 0.00 O ATOM 481 CB ARG A 31 -13.913 7.160 10.887 1.00 0.00 C ATOM 482 CG ARG A 31 -14.487 8.406 11.541 1.00 0.00 C ATOM 483 CD ARG A 31 -15.982 8.528 11.290 1.00 0.00 C ATOM 484 NE ARG A 31 -16.602 9.525 12.159 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.864 9.923 12.037 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.635 9.410 11.088 1.00 0.00 N ATOM 487 NH2 ARG A 31 -18.357 10.834 12.866 1.00 0.00 N ATOM 0 H ARG A 31 -14.034 5.205 9.334 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.436 8.044 9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.563 6.313 11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.942 6.941 11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.298 8.375 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.979 9.289 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.154 8.798 10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.457 7.560 11.451 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.035 9.938 12.900 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.260 8.708 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.603 9.717 10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.767 11.230 13.598 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.326 11.139 12.771 1.00 0.00 H new ATOM 501 N VAL A 32 -11.451 6.727 8.834 1.00 0.00 N ATOM 502 CA VAL A 32 -10.057 6.999 8.505 1.00 0.00 C ATOM 503 C VAL A 32 -9.672 6.365 7.173 1.00 0.00 C ATOM 504 O VAL A 32 -8.572 5.832 7.022 1.00 0.00 O ATOM 505 CB VAL A 32 -9.109 6.478 9.602 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.144 7.393 10.817 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.473 5.052 9.987 1.00 0.00 C ATOM 0 H VAL A 32 -11.684 5.736 8.894 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.955 8.082 8.431 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.092 6.475 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.468 7.009 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.831 8.396 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.158 7.431 11.215 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.793 4.700 10.763 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.496 5.026 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.391 4.407 9.112 1.00 0.00 H new ATOM 517 N ASP A 33 -10.585 6.426 6.210 1.00 0.00 N ATOM 518 CA ASP A 33 -10.341 5.858 4.889 1.00 0.00 C ATOM 519 C ASP A 33 -9.351 6.713 4.105 1.00 0.00 C ATOM 520 O ASP A 33 -8.346 6.212 3.598 1.00 0.00 O ATOM 521 CB ASP A 33 -11.654 5.736 4.113 1.00 0.00 C ATOM 522 CG ASP A 33 -11.619 4.619 3.088 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.597 3.904 3.025 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.613 4.460 2.350 1.00 0.00 O ATOM 0 H ASP A 33 -11.500 6.863 6.319 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.912 4.865 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.471 5.558 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.865 6.680 3.610 1.00 0.00 H new ATOM 529 N LYS A 34 -9.640 8.006 4.008 1.00 0.00 N ATOM 530 CA LYS A 34 -8.775 8.932 3.286 1.00 0.00 C ATOM 531 C LYS A 34 -7.407 9.032 3.953 1.00 0.00 C ATOM 532 O LYS A 34 -6.448 9.521 3.356 1.00 0.00 O ATOM 533 CB LYS A 34 -9.422 10.317 3.215 1.00 0.00 C ATOM 534 CG LYS A 34 -9.177 11.166 4.450 1.00 0.00 C ATOM 535 CD LYS A 34 -9.835 10.565 5.680 1.00 0.00 C ATOM 536 CE LYS A 34 -11.345 10.477 5.519 1.00 0.00 C ATOM 537 NZ LYS A 34 -12.062 11.192 6.609 1.00 0.00 N ATOM 0 H LYS A 34 -10.467 8.437 4.421 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.639 8.549 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.039 10.843 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.496 10.200 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.105 11.261 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.564 12.171 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.429 9.570 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.596 11.171 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.633 10.900 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.649 9.430 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.010 11.464 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.148 10.567 7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.529 12.045 6.874 1.00 0.00 H new ATOM 551 N VAL A 35 -7.324 8.564 5.195 1.00 0.00 N ATOM 552 CA VAL A 35 -6.073 8.598 5.942 1.00 0.00 C ATOM 553 C VAL A 35 -5.071 7.594 5.383 1.00 0.00 C ATOM 554 O VAL A 35 -3.865 7.717 5.600 1.00 0.00 O ATOM 555 CB VAL A 35 -6.303 8.301 7.436 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.980 8.286 8.187 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.258 9.319 8.040 1.00 0.00 C ATOM 0 H VAL A 35 -8.108 8.157 5.704 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.669 9.605 5.838 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.756 7.314 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.162 8.075 9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.333 7.515 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.496 9.258 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.409 9.094 9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.836 10.319 7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.214 9.275 7.519 1.00 0.00 H new ATOM 567 N LEU A 36 -5.578 6.599 4.664 1.00 0.00 N ATOM 568 CA LEU A 36 -4.728 5.572 4.072 1.00 0.00 C ATOM 569 C LEU A 36 -4.893 5.535 2.556 1.00 0.00 C ATOM 570 O LEU A 36 -4.311 4.688 1.879 1.00 0.00 O ATOM 571 CB LEU A 36 -5.061 4.202 4.667 1.00 0.00 C ATOM 572 CG LEU A 36 -6.238 3.463 4.030 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.743 2.445 3.014 1.00 0.00 C ATOM 574 CD2 LEU A 36 -7.082 2.784 5.099 1.00 0.00 C ATOM 0 H LEU A 36 -6.574 6.481 4.477 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.691 5.818 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.176 3.570 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.270 4.330 5.729 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.861 4.191 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.595 1.929 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.181 2.955 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.098 1.720 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.915 2.263 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.469 2.068 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.467 3.534 5.790 1.00 0.00 H new ATOM 586 N ASN A 37 -5.688 6.460 2.030 1.00 0.00 N ATOM 587 CA ASN A 37 -5.928 6.534 0.593 1.00 0.00 C ATOM 588 C ASN A 37 -5.480 7.882 0.036 1.00 0.00 C ATOM 589 O ASN A 37 -5.189 8.007 -1.153 1.00 0.00 O ATOM 590 CB ASN A 37 -7.412 6.313 0.291 1.00 0.00 C ATOM 591 CG ASN A 37 -7.800 6.803 -1.091 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.118 6.520 -2.076 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.900 7.542 -1.169 1.00 0.00 N ATOM 0 H ASN A 37 -6.177 7.169 2.577 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.345 5.749 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.643 5.251 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.013 6.830 1.039 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.211 7.900 -2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.434 7.752 -0.326 1.00 0.00 H new ATOM 600 N GLU A 38 -5.427 8.887 0.904 1.00 0.00 N ATOM 601 CA GLU A 38 -5.014 10.226 0.497 1.00 0.00 C ATOM 602 C GLU A 38 -3.778 10.673 1.273 1.00 0.00 C ATOM 603 O GLU A 38 -2.833 11.213 0.699 1.00 0.00 O ATOM 604 CB GLU A 38 -6.154 11.223 0.714 1.00 0.00 C ATOM 605 CG GLU A 38 -5.690 12.667 0.808 1.00 0.00 C ATOM 606 CD GLU A 38 -6.662 13.635 0.161 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.861 13.541 -1.068 1.00 0.00 O ATOM 608 OE2 GLU A 38 -7.222 14.486 0.883 1.00 0.00 O ATOM 0 H GLU A 38 -5.664 8.800 1.892 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.765 10.195 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.866 11.132 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.686 10.961 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.559 12.935 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.715 12.763 0.330 1.00 0.00 H new ATOM 615 N LYS A 39 -3.793 10.444 2.582 1.00 0.00 N ATOM 616 CA LYS A 39 -2.675 10.822 3.438 1.00 0.00 C ATOM 617 C LYS A 39 -1.362 10.266 2.895 1.00 0.00 C ATOM 618 O LYS A 39 -0.343 10.957 2.884 1.00 0.00 O ATOM 619 CB LYS A 39 -2.904 10.316 4.864 1.00 0.00 C ATOM 620 CG LYS A 39 -2.616 11.356 5.932 1.00 0.00 C ATOM 621 CD LYS A 39 -3.876 11.740 6.690 1.00 0.00 C ATOM 622 CE LYS A 39 -4.706 12.753 5.915 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.680 14.097 6.555 1.00 0.00 N ATOM 0 H LYS A 39 -4.568 9.998 3.073 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.611 11.910 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.938 9.984 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.272 9.445 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.875 10.967 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.183 12.243 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.473 10.848 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.606 12.156 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.327 12.829 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.736 12.403 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.257 14.758 5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.065 14.030 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.700 14.443 6.597 1.00 0.00 H new ATOM 637 N CYS A 40 -1.395 9.017 2.444 1.00 0.00 N ATOM 638 CA CYS A 40 -0.207 8.369 1.899 1.00 0.00 C ATOM 639 C CYS A 40 -0.521 6.945 1.452 1.00 0.00 C ATOM 640 O CYS A 40 -0.390 5.998 2.228 1.00 0.00 O ATOM 641 CB CYS A 40 0.914 8.356 2.938 1.00 0.00 C ATOM 642 SG CYS A 40 2.323 9.408 2.518 1.00 0.00 S ATOM 0 H CYS A 40 -2.231 8.433 2.445 1.00 0.00 H new ATOM 0 HA CYS A 40 0.121 8.939 1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.509 8.676 3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.264 7.332 3.066 1.00 0.00 H new ATOM 0 HG CYS A 40 1.934 10.646 2.446 1.00 0.00 H new ATOM 648 N SER A 41 -0.938 6.802 0.198 1.00 0.00 N ATOM 649 CA SER A 41 -1.276 5.494 -0.350 1.00 0.00 C ATOM 650 C SER A 41 -0.292 5.093 -1.445 1.00 0.00 C ATOM 651 O SER A 41 -0.379 3.999 -2.004 1.00 0.00 O ATOM 652 CB SER A 41 -2.701 5.504 -0.907 1.00 0.00 C ATOM 653 OG SER A 41 -2.980 6.724 -1.572 1.00 0.00 O ATOM 0 H SER A 41 -1.050 7.576 -0.457 1.00 0.00 H new ATOM 0 HA SER A 41 -1.214 4.762 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.830 4.671 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.413 5.358 -0.095 1.00 0.00 H new ATOM 0 HG SER A 41 -3.949 6.864 -1.606 1.00 0.00 H new ATOM 659 N VAL A 42 0.644 5.987 -1.747 1.00 0.00 N ATOM 660 CA VAL A 42 1.646 5.727 -2.774 1.00 0.00 C ATOM 661 C VAL A 42 2.968 5.290 -2.154 1.00 0.00 C ATOM 662 O VAL A 42 3.401 5.838 -1.139 1.00 0.00 O ATOM 663 CB VAL A 42 1.888 6.971 -3.649 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.068 8.208 -2.781 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.095 6.762 -4.550 1.00 0.00 C ATOM 0 H VAL A 42 0.729 6.898 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 42 1.258 4.922 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 42 1.014 7.124 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.238 9.077 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.171 8.366 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.924 8.068 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.251 7.651 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.979 6.582 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.921 5.903 -5.197 1.00 0.00 H new ATOM 675 N TYR A 43 3.607 4.302 -2.770 1.00 0.00 N ATOM 676 CA TYR A 43 4.880 3.790 -2.278 1.00 0.00 C ATOM 677 C TYR A 43 5.770 3.342 -3.433 1.00 0.00 C ATOM 678 O TYR A 43 5.289 2.821 -4.439 1.00 0.00 O ATOM 679 CB TYR A 43 4.647 2.623 -1.317 1.00 0.00 C ATOM 680 CG TYR A 43 3.555 2.881 -0.303 1.00 0.00 C ATOM 681 CD1 TYR A 43 2.218 2.695 -0.630 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.862 3.311 0.982 1.00 0.00 C ATOM 683 CE1 TYR A 43 1.218 2.931 0.293 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.869 3.549 1.912 1.00 0.00 C ATOM 685 CZ TYR A 43 1.548 3.358 1.563 1.00 0.00 C ATOM 686 OH TYR A 43 0.555 3.593 2.486 1.00 0.00 O ATOM 0 H TYR A 43 3.264 3.839 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 43 5.385 4.596 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.393 1.734 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.576 2.406 -0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.956 2.360 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.895 3.462 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.183 2.782 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.125 3.883 2.907 1.00 0.00 H new ATOM 0 HH TYR A 43 0.223 4.509 2.383 1.00 0.00 H new ATOM 696 N THR A 44 7.075 3.550 -3.281 1.00 0.00 N ATOM 697 CA THR A 44 8.034 3.170 -4.309 1.00 0.00 C ATOM 698 C THR A 44 8.113 1.654 -4.455 1.00 0.00 C ATOM 699 O THR A 44 8.050 0.922 -3.467 1.00 0.00 O ATOM 700 CB THR A 44 9.440 3.718 -3.997 1.00 0.00 C ATOM 701 OG1 THR A 44 9.360 4.718 -2.975 1.00 0.00 O ATOM 702 CG2 THR A 44 10.079 4.310 -5.244 1.00 0.00 C ATOM 0 H THR A 44 7.491 3.980 -2.455 1.00 0.00 H new ATOM 0 HA THR A 44 7.682 3.605 -5.245 1.00 0.00 H new ATOM 0 HB THR A 44 10.059 2.891 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.258 5.060 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.071 4.690 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.165 3.539 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.460 5.125 -5.618 1.00 0.00 H new ATOM 710 N VAL A 45 8.252 1.189 -5.692 1.00 0.00 N ATOM 711 CA VAL A 45 8.341 -0.240 -5.966 1.00 0.00 C ATOM 712 C VAL A 45 9.456 -0.540 -6.962 1.00 0.00 C ATOM 713 O VAL A 45 9.349 -0.216 -8.144 1.00 0.00 O ATOM 714 CB VAL A 45 7.013 -0.789 -6.520 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.467 0.126 -7.605 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.200 -2.203 -7.048 1.00 0.00 C ATOM 0 H VAL A 45 8.305 1.781 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 45 8.562 -0.731 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 45 6.287 -0.822 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.529 -0.279 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.293 1.119 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.188 0.195 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.252 -2.575 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.941 -2.198 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.541 -2.851 -6.240 1.00 0.00 H new ATOM 726 N GLU A 46 10.526 -1.161 -6.474 1.00 0.00 N ATOM 727 CA GLU A 46 11.662 -1.504 -7.322 1.00 0.00 C ATOM 728 C GLU A 46 11.223 -2.386 -8.488 1.00 0.00 C ATOM 729 O GLU A 46 10.043 -2.707 -8.627 1.00 0.00 O ATOM 730 CB GLU A 46 12.739 -2.220 -6.504 1.00 0.00 C ATOM 731 CG GLU A 46 14.154 -1.789 -6.852 1.00 0.00 C ATOM 732 CD GLU A 46 14.936 -2.875 -7.564 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.939 -4.023 -7.073 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.546 -2.577 -8.613 1.00 0.00 O ATOM 0 H GLU A 46 10.630 -1.436 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 46 12.076 -0.579 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.562 -2.035 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.647 -3.295 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.114 -0.901 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.679 -1.508 -5.939 1.00 0.00 H new ATOM 741 N SER A 47 12.182 -2.772 -9.323 1.00 0.00 N ATOM 742 CA SER A 47 11.895 -3.612 -10.480 1.00 0.00 C ATOM 743 C SER A 47 11.920 -5.089 -10.098 1.00 0.00 C ATOM 744 O SER A 47 11.280 -5.919 -10.742 1.00 0.00 O ATOM 745 CB SER A 47 12.909 -3.345 -11.595 1.00 0.00 C ATOM 746 OG SER A 47 13.847 -4.403 -11.695 1.00 0.00 O ATOM 0 H SER A 47 13.164 -2.517 -9.220 1.00 0.00 H new ATOM 0 HA SER A 47 10.896 -3.364 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.387 -3.226 -12.545 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.432 -2.409 -11.399 1.00 0.00 H new ATOM 0 HG SER A 47 14.483 -4.210 -12.415 1.00 0.00 H new ATOM 752 N GLY A 48 12.664 -5.409 -9.044 1.00 0.00 N ATOM 753 CA GLY A 48 12.759 -6.785 -8.593 1.00 0.00 C ATOM 754 C GLY A 48 11.983 -7.031 -7.314 1.00 0.00 C ATOM 755 O GLY A 48 12.549 -7.459 -6.307 1.00 0.00 O ATOM 0 H GLY A 48 13.203 -4.740 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.385 -7.447 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.807 -7.040 -8.434 1.00 0.00 H new ATOM 759 N THR A 49 10.683 -6.759 -7.351 1.00 0.00 N ATOM 760 CA THR A 49 9.828 -6.951 -6.186 1.00 0.00 C ATOM 761 C THR A 49 8.645 -7.854 -6.514 1.00 0.00 C ATOM 762 O THR A 49 8.419 -8.198 -7.673 1.00 0.00 O ATOM 763 CB THR A 49 9.300 -5.607 -5.650 1.00 0.00 C ATOM 764 OG1 THR A 49 10.131 -4.535 -6.110 1.00 0.00 O ATOM 765 CG2 THR A 49 9.262 -5.608 -4.129 1.00 0.00 C ATOM 0 H THR A 49 10.198 -6.405 -8.176 1.00 0.00 H new ATOM 0 HA THR A 49 10.441 -7.425 -5.419 1.00 0.00 H new ATOM 0 HB THR A 49 8.286 -5.466 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.804 -4.216 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.886 -4.649 -3.774 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.606 -6.406 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.267 -5.770 -3.740 1.00 0.00 H new ATOM 773 N GLU A 50 7.894 -8.235 -5.485 1.00 0.00 N ATOM 774 CA GLU A 50 6.733 -9.099 -5.666 1.00 0.00 C ATOM 775 C GLU A 50 5.477 -8.449 -5.094 1.00 0.00 C ATOM 776 O GLU A 50 5.553 -7.591 -4.215 1.00 0.00 O ATOM 777 CB GLU A 50 6.970 -10.454 -4.996 1.00 0.00 C ATOM 778 CG GLU A 50 7.816 -10.372 -3.737 1.00 0.00 C ATOM 779 CD GLU A 50 8.176 -11.737 -3.185 1.00 0.00 C ATOM 780 OE1 GLU A 50 7.673 -12.746 -3.725 1.00 0.00 O ATOM 781 OE2 GLU A 50 8.958 -11.798 -2.214 1.00 0.00 O ATOM 0 H GLU A 50 8.069 -7.959 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 50 6.587 -9.251 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.007 -10.900 -4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.457 -11.121 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.730 -9.819 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.275 -9.808 -2.977 1.00 0.00 H new ATOM 788 N VAL A 51 4.320 -8.865 -5.601 1.00 0.00 N ATOM 789 CA VAL A 51 3.046 -8.325 -5.141 1.00 0.00 C ATOM 790 C VAL A 51 2.845 -8.582 -3.652 1.00 0.00 C ATOM 791 O VAL A 51 2.028 -7.929 -3.002 1.00 0.00 O ATOM 792 CB VAL A 51 1.865 -8.933 -5.921 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.593 -8.137 -5.669 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.182 -8.991 -7.407 1.00 0.00 C ATOM 0 H VAL A 51 4.239 -9.574 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 51 3.075 -7.250 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 51 1.704 -9.951 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.231 -8.581 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.359 -8.152 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.738 -7.107 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.337 -9.423 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.370 -7.984 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.066 -9.608 -7.567 1.00 0.00 H new ATOM 804 N THR A 52 3.596 -9.539 -3.116 1.00 0.00 N ATOM 805 CA THR A 52 3.501 -9.885 -1.704 1.00 0.00 C ATOM 806 C THR A 52 4.486 -9.072 -0.871 1.00 0.00 C ATOM 807 O THR A 52 4.244 -8.805 0.306 1.00 0.00 O ATOM 808 CB THR A 52 3.765 -11.384 -1.473 1.00 0.00 C ATOM 809 OG1 THR A 52 3.764 -11.672 -0.070 1.00 0.00 O ATOM 810 CG2 THR A 52 5.098 -11.798 -2.078 1.00 0.00 C ATOM 0 H THR A 52 4.277 -10.089 -3.640 1.00 0.00 H new ATOM 0 HA THR A 52 2.484 -9.651 -1.390 1.00 0.00 H new ATOM 0 HB THR A 52 2.970 -11.949 -1.960 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.931 -12.628 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.263 -12.861 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.086 -11.605 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.901 -11.225 -1.615 1.00 0.00 H new ATOM 818 N GLU A 53 5.596 -8.682 -1.490 1.00 0.00 N ATOM 819 CA GLU A 53 6.617 -7.899 -0.804 1.00 0.00 C ATOM 820 C GLU A 53 6.045 -6.575 -0.306 1.00 0.00 C ATOM 821 O GLU A 53 6.430 -6.078 0.752 1.00 0.00 O ATOM 822 CB GLU A 53 7.802 -7.638 -1.736 1.00 0.00 C ATOM 823 CG GLU A 53 9.053 -8.416 -1.364 1.00 0.00 C ATOM 824 CD GLU A 53 10.269 -7.980 -2.156 1.00 0.00 C ATOM 825 OE1 GLU A 53 10.451 -8.476 -3.288 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.040 -7.140 -1.645 1.00 0.00 O ATOM 0 H GLU A 53 5.811 -8.895 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 53 6.961 -8.472 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.515 -7.895 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.031 -6.572 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.252 -8.288 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.878 -9.479 -1.530 1.00 0.00 H new ATOM 833 N PHE A 54 5.124 -6.008 -1.078 1.00 0.00 N ATOM 834 CA PHE A 54 4.499 -4.741 -0.718 1.00 0.00 C ATOM 835 C PHE A 54 3.531 -4.923 0.448 1.00 0.00 C ATOM 836 O PHE A 54 3.207 -3.970 1.155 1.00 0.00 O ATOM 837 CB PHE A 54 3.760 -4.151 -1.921 1.00 0.00 C ATOM 838 CG PHE A 54 4.480 -4.353 -3.224 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.795 -3.943 -3.374 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.841 -4.952 -4.298 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.461 -4.128 -4.572 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.502 -5.139 -5.497 1.00 0.00 C ATOM 843 CZ PHE A 54 5.812 -4.725 -5.635 1.00 0.00 C ATOM 0 H PHE A 54 4.794 -6.406 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 54 5.286 -4.052 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.771 -4.604 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.612 -3.083 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.306 -3.474 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.816 -5.276 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.487 -3.806 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.994 -5.609 -6.326 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.328 -4.868 -6.573 1.00 0.00 H new ATOM 853 N ALA A 55 3.073 -6.156 0.641 1.00 0.00 N ATOM 854 CA ALA A 55 2.144 -6.465 1.721 1.00 0.00 C ATOM 855 C ALA A 55 2.762 -6.160 3.081 1.00 0.00 C ATOM 856 O ALA A 55 2.054 -6.033 4.081 1.00 0.00 O ATOM 857 CB ALA A 55 1.717 -7.923 1.648 1.00 0.00 C ATOM 0 H ALA A 55 3.330 -6.957 0.064 1.00 0.00 H new ATOM 0 HA ALA A 55 1.264 -5.833 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.023 -8.140 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.227 -8.111 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.594 -8.564 1.739 1.00 0.00 H new ATOM 863 N CYS A 56 4.085 -6.045 3.112 1.00 0.00 N ATOM 864 CA CYS A 56 4.799 -5.757 4.351 1.00 0.00 C ATOM 865 C CYS A 56 5.390 -4.351 4.323 1.00 0.00 C ATOM 866 O CYS A 56 6.169 -3.977 5.200 1.00 0.00 O ATOM 867 CB CYS A 56 5.908 -6.786 4.577 1.00 0.00 C ATOM 868 SG CYS A 56 5.714 -7.760 6.087 1.00 0.00 S ATOM 0 H CYS A 56 4.685 -6.147 2.293 1.00 0.00 H new ATOM 0 HA CYS A 56 4.087 -5.816 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.941 -7.462 3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.867 -6.269 4.611 1.00 0.00 H new ATOM 0 HG CYS A 56 6.698 -8.603 6.189 1.00 0.00 H new ATOM 874 N VAL A 57 5.016 -3.577 3.310 1.00 0.00 N ATOM 875 CA VAL A 57 5.510 -2.213 3.167 1.00 0.00 C ATOM 876 C VAL A 57 4.359 -1.213 3.130 1.00 0.00 C ATOM 877 O VAL A 57 4.510 -0.061 3.535 1.00 0.00 O ATOM 878 CB VAL A 57 6.355 -2.053 1.890 1.00 0.00 C ATOM 879 CG1 VAL A 57 6.833 -0.616 1.742 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.533 -3.016 1.907 1.00 0.00 C ATOM 0 H VAL A 57 4.372 -3.871 2.576 1.00 0.00 H new ATOM 0 HA VAL A 57 6.136 -2.010 4.036 1.00 0.00 H new ATOM 0 HB VAL A 57 5.731 -2.293 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.429 -0.522 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.972 0.049 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.442 -0.344 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.120 -2.889 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.160 -2.809 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.165 -4.040 1.962 1.00 0.00 H new ATOM 890 N VAL A 58 3.207 -1.663 2.641 1.00 0.00 N ATOM 891 CA VAL A 58 2.029 -0.808 2.552 1.00 0.00 C ATOM 892 C VAL A 58 1.291 -0.750 3.884 1.00 0.00 C ATOM 893 O VAL A 58 0.818 0.308 4.298 1.00 0.00 O ATOM 894 CB VAL A 58 1.060 -1.301 1.461 1.00 0.00 C ATOM 895 CG1 VAL A 58 1.685 -1.149 0.083 1.00 0.00 C ATOM 896 CG2 VAL A 58 0.660 -2.746 1.718 1.00 0.00 C ATOM 0 H VAL A 58 3.065 -2.614 2.301 1.00 0.00 H new ATOM 0 HA VAL A 58 2.380 0.190 2.291 1.00 0.00 H new ATOM 0 HB VAL A 58 0.160 -0.687 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.986 -1.502 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.916 -0.099 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.602 -1.736 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.025 -3.078 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.549 -3.376 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.168 -2.820 2.688 1.00 0.00 H new ATOM 906 N ALA A 59 1.196 -1.895 4.552 1.00 0.00 N ATOM 907 CA ALA A 59 0.517 -1.974 5.840 1.00 0.00 C ATOM 908 C ALA A 59 1.275 -1.195 6.909 1.00 0.00 C ATOM 909 O ALA A 59 0.673 -0.614 7.810 1.00 0.00 O ATOM 910 CB ALA A 59 0.351 -3.427 6.260 1.00 0.00 C ATOM 0 H ALA A 59 1.581 -2.781 4.223 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.470 -1.524 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.157 -3.472 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.240 -3.956 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.332 -3.895 6.345 1.00 0.00 H new ATOM 916 N GLU A 60 2.601 -1.190 6.802 1.00 0.00 N ATOM 917 CA GLU A 60 3.440 -0.483 7.762 1.00 0.00 C ATOM 918 C GLU A 60 2.975 0.961 7.933 1.00 0.00 C ATOM 919 O GLU A 60 2.546 1.362 9.014 1.00 0.00 O ATOM 920 CB GLU A 60 4.902 -0.509 7.311 1.00 0.00 C ATOM 921 CG GLU A 60 5.794 -1.371 8.189 1.00 0.00 C ATOM 922 CD GLU A 60 7.230 -0.884 8.217 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.646 -0.209 7.253 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.938 -1.178 9.203 1.00 0.00 O ATOM 0 H GLU A 60 3.116 -1.667 6.062 1.00 0.00 H new ATOM 0 HA GLU A 60 3.354 -0.990 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.951 -0.877 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.289 0.510 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.398 -1.381 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.770 -2.399 7.827 1.00 0.00 H new ATOM 931 N ALA A 61 3.065 1.736 6.857 1.00 0.00 N ATOM 932 CA ALA A 61 2.653 3.134 6.887 1.00 0.00 C ATOM 933 C ALA A 61 1.187 3.265 7.284 1.00 0.00 C ATOM 934 O ALA A 61 0.822 4.141 8.068 1.00 0.00 O ATOM 935 CB ALA A 61 2.896 3.784 5.533 1.00 0.00 C ATOM 0 H ALA A 61 3.419 1.420 5.954 1.00 0.00 H new ATOM 0 HA ALA A 61 3.253 3.649 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.584 4.828 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.957 3.731 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.321 3.260 4.769 1.00 0.00 H new ATOM 941 N VAL A 62 0.349 2.390 6.736 1.00 0.00 N ATOM 942 CA VAL A 62 -1.078 2.409 7.033 1.00 0.00 C ATOM 943 C VAL A 62 -1.327 2.339 8.536 1.00 0.00 C ATOM 944 O VAL A 62 -2.358 2.799 9.027 1.00 0.00 O ATOM 945 CB VAL A 62 -1.809 1.239 6.348 1.00 0.00 C ATOM 946 CG1 VAL A 62 -3.243 1.140 6.846 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.772 1.400 4.836 1.00 0.00 C ATOM 0 H VAL A 62 0.634 1.659 6.084 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.470 3.349 6.646 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.295 0.313 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.743 0.308 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.243 0.975 7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.771 2.067 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.293 0.565 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.260 2.334 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.736 1.417 4.497 1.00 0.00 H new ATOM 957 N VAL A 63 -0.376 1.761 9.262 1.00 0.00 N ATOM 958 CA VAL A 63 -0.490 1.633 10.709 1.00 0.00 C ATOM 959 C VAL A 63 -0.168 2.950 11.405 1.00 0.00 C ATOM 960 O VAL A 63 -1.045 3.589 11.988 1.00 0.00 O ATOM 961 CB VAL A 63 0.445 0.536 11.252 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.441 0.534 12.773 1.00 0.00 C ATOM 963 CG2 VAL A 63 0.041 -0.826 10.707 1.00 0.00 C ATOM 0 H VAL A 63 0.483 1.374 8.871 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.523 1.357 10.921 1.00 0.00 H new ATOM 0 HB VAL A 63 1.460 0.750 10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.107 -0.248 13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.783 1.502 13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.570 0.346 13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.712 -1.589 11.101 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.982 -1.051 11.010 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.103 -0.815 9.619 1.00 0.00 H new ATOM 973 N LYS A 64 1.096 3.353 11.341 1.00 0.00 N ATOM 974 CA LYS A 64 1.536 4.596 11.964 1.00 0.00 C ATOM 975 C LYS A 64 0.708 5.776 11.466 1.00 0.00 C ATOM 976 O LYS A 64 0.577 6.790 12.153 1.00 0.00 O ATOM 977 CB LYS A 64 3.019 4.840 11.671 1.00 0.00 C ATOM 978 CG LYS A 64 3.393 4.634 10.213 1.00 0.00 C ATOM 979 CD LYS A 64 4.436 3.541 10.054 1.00 0.00 C ATOM 980 CE LYS A 64 5.720 3.885 10.793 1.00 0.00 C ATOM 981 NZ LYS A 64 6.910 3.814 9.899 1.00 0.00 N ATOM 0 H LYS A 64 1.835 2.837 10.864 1.00 0.00 H new ATOM 0 HA LYS A 64 1.395 4.504 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.276 5.858 11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.618 4.171 12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.502 4.374 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.776 5.567 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.038 2.599 10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.652 3.394 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.640 4.888 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.853 3.199 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.765 4.055 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.001 2.851 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.795 4.487 9.114 1.00 0.00 H new ATOM 995 N THR A 65 0.149 5.638 10.268 1.00 0.00 N ATOM 996 CA THR A 65 -0.667 6.692 9.679 1.00 0.00 C ATOM 997 C THR A 65 -2.061 6.718 10.295 1.00 0.00 C ATOM 998 O THR A 65 -2.676 7.777 10.421 1.00 0.00 O ATOM 999 CB THR A 65 -0.795 6.518 8.154 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.491 6.648 7.536 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.750 7.548 7.570 1.00 0.00 C ATOM 0 H THR A 65 0.247 4.806 9.686 1.00 0.00 H new ATOM 0 HA THR A 65 -0.163 7.635 9.888 1.00 0.00 H new ATOM 0 HB THR A 65 -1.194 5.523 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.861 5.758 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.824 7.405 6.492 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.735 7.427 8.021 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.376 8.550 7.778 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.555 5.545 10.677 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.878 5.433 11.282 1.00 0.00 C ATOM 1011 C LEU A 66 -3.773 5.080 12.762 1.00 0.00 C ATOM 1012 O LEU A 66 -4.337 4.083 13.213 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.706 4.374 10.551 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.337 4.811 9.228 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -4.332 4.696 8.093 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.578 3.982 8.930 1.00 0.00 C ATOM 0 H LEU A 66 -2.060 4.659 10.579 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.374 6.400 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.068 3.511 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.501 4.040 11.217 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.635 5.856 9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.799 5.011 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.473 5.333 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.003 3.661 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.014 4.306 7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.304 2.929 8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.306 4.116 9.730 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.048 5.904 13.511 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.871 5.679 14.941 1.00 0.00 C ATOM 1030 C GLN A 67 -3.254 6.921 15.739 1.00 0.00 C ATOM 1031 O GLN A 67 -2.635 7.254 16.750 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.422 5.292 15.242 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.124 3.819 15.007 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.597 3.126 16.248 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.367 2.655 17.085 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.724 3.059 16.373 1.00 0.00 N ATOM 0 H GLN A 67 -2.574 6.733 13.152 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.528 4.861 15.239 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.758 5.892 14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.197 5.539 16.280 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.032 3.317 14.673 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.393 3.723 14.204 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.325 3.463 15.655 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.137 2.604 17.187 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.298 7.624 15.277 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.787 8.840 15.933 1.00 0.00 C ATOM 1047 C PRO A 68 -5.452 8.548 17.274 1.00 0.00 C ATOM 1048 O PRO A 68 -5.153 9.191 18.280 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.810 9.393 14.938 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.269 8.204 14.166 1.00 0.00 C ATOM 1051 CD PRO A 68 -5.083 7.285 14.078 1.00 0.00 C ATOM 0 HA PRO A 68 -3.977 9.533 16.162 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.641 9.876 15.452 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.362 10.141 14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.106 7.715 14.664 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.614 8.493 13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.385 6.238 14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.513 7.452 13.164 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.356 7.573 17.281 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.062 7.194 18.499 1.00 0.00 C ATOM 1061 C VAL A 69 -7.507 5.737 18.446 1.00 0.00 C ATOM 1062 O VAL A 69 -8.701 5.443 18.386 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.295 8.087 18.733 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.872 9.460 19.234 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.117 8.205 17.459 1.00 0.00 C ATOM 0 H VAL A 69 -6.616 7.032 16.457 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.363 7.327 19.325 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.918 7.623 19.498 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.756 10.077 19.394 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.329 9.353 20.173 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.227 9.934 18.494 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.984 8.839 17.643 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.506 8.645 16.671 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.451 7.215 17.149 1.00 0.00 H new ATOM 1075 N SER A 70 -6.539 4.827 18.468 1.00 0.00 N ATOM 1076 CA SER A 70 -6.830 3.399 18.419 1.00 0.00 C ATOM 1077 C SER A 70 -7.756 2.994 19.562 1.00 0.00 C ATOM 1078 O SER A 70 -8.471 1.996 19.473 1.00 0.00 O ATOM 1079 CB SER A 70 -5.533 2.590 18.487 1.00 0.00 C ATOM 1080 OG SER A 70 -4.498 3.336 19.102 1.00 0.00 O ATOM 0 H SER A 70 -5.546 5.053 18.519 1.00 0.00 H new ATOM 0 HA SER A 70 -7.332 3.188 17.475 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.704 1.670 19.046 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.228 2.300 17.481 1.00 0.00 H new ATOM 0 HG SER A 70 -3.681 2.796 19.135 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.736 3.776 20.636 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.574 3.501 21.798 1.00 0.00 C ATOM 1088 C ASP A 71 -10.044 3.414 21.399 1.00 0.00 C ATOM 1089 O ASP A 71 -10.849 2.785 22.087 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.384 4.586 22.859 1.00 0.00 C ATOM 1091 CG ASP A 71 -6.928 4.784 23.230 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -6.334 3.856 23.818 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -6.381 5.867 22.933 1.00 0.00 O ATOM 0 H ASP A 71 -7.149 4.605 20.726 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.271 2.540 22.214 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.793 5.527 22.490 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.950 4.320 23.752 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.388 4.049 20.284 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.762 4.045 19.794 1.00 0.00 C ATOM 1100 C LEU A 72 -11.982 2.909 18.800 1.00 0.00 C ATOM 1101 O LEU A 72 -12.975 2.185 18.878 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.093 5.385 19.135 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.215 6.584 20.077 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.199 7.885 19.289 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -13.484 6.480 20.911 1.00 0.00 C ATOM 0 H LEU A 72 -9.734 4.573 19.702 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.425 3.892 20.646 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.321 5.605 18.397 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.032 5.278 18.592 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.359 6.580 20.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.287 8.727 19.975 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.263 7.964 18.736 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.036 7.898 18.590 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.554 7.341 21.575 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.352 6.458 20.252 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.456 5.566 21.504 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.048 2.757 17.868 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.138 1.707 16.859 1.00 0.00 C ATOM 1119 C LEU A 73 -11.337 0.342 17.510 1.00 0.00 C ATOM 1120 O LEU A 73 -12.063 -0.507 16.990 1.00 0.00 O ATOM 1121 CB LEU A 73 -9.876 1.693 15.995 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.354 3.058 15.546 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.247 2.894 14.517 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -10.488 3.903 14.983 1.00 0.00 C ATOM 0 H LEU A 73 -10.220 3.347 17.790 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.001 1.917 16.227 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.085 1.189 16.551 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.074 1.092 15.107 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.941 3.572 16.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.888 3.876 14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.425 2.328 14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.634 2.360 13.649 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.099 4.871 14.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.930 3.394 14.127 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.248 4.050 15.750 1.00 0.00 H new ATOM 1136 N THR A 74 -10.690 0.137 18.653 1.00 0.00 N ATOM 1137 CA THR A 74 -10.797 -1.124 19.376 1.00 0.00 C ATOM 1138 C THR A 74 -12.146 -1.244 20.076 1.00 0.00 C ATOM 1139 O THR A 74 -12.622 -2.347 20.341 1.00 0.00 O ATOM 1140 CB THR A 74 -9.675 -1.269 20.421 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.516 -0.542 20.000 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.314 -2.732 20.629 1.00 0.00 C ATOM 0 H THR A 74 -10.086 0.828 19.098 1.00 0.00 H new ATOM 0 HA THR A 74 -10.702 -1.920 18.638 1.00 0.00 H new ATOM 0 HB THR A 74 -10.035 -0.862 21.366 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.638 0.410 20.196 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.520 -2.809 21.371 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.191 -3.277 20.978 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.973 -3.160 19.687 1.00 0.00 H new ATOM 1150 N ASN A 75 -12.757 -0.101 20.372 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.053 -0.079 21.042 1.00 0.00 C ATOM 1152 C ASN A 75 -15.170 -0.463 20.077 1.00 0.00 C ATOM 1153 O ASN A 75 -16.242 -0.901 20.495 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.324 1.308 21.627 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.512 1.989 20.975 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -16.661 1.605 21.198 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.241 3.005 20.164 1.00 0.00 N ATOM 0 H ASN A 75 -12.376 0.821 20.159 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.029 -0.809 21.851 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.503 1.219 22.698 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.438 1.931 21.503 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.000 3.501 19.697 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.274 3.289 20.008 1.00 0.00 H new ATOM 1164 N MET A 76 -14.912 -0.297 18.784 1.00 0.00 N ATOM 1165 CA MET A 76 -15.895 -0.629 17.759 1.00 0.00 C ATOM 1166 C MET A 76 -15.606 -1.997 17.151 1.00 0.00 C ATOM 1167 O MET A 76 -16.512 -2.679 16.674 1.00 0.00 O ATOM 1168 CB MET A 76 -15.901 0.439 16.663 1.00 0.00 C ATOM 1169 CG MET A 76 -15.874 1.861 17.200 1.00 0.00 C ATOM 1170 SD MET A 76 -15.761 3.095 15.891 1.00 0.00 S ATOM 1171 CE MET A 76 -14.023 3.520 15.974 1.00 0.00 C ATOM 0 H MET A 76 -14.030 0.065 18.421 1.00 0.00 H new ATOM 0 HA MET A 76 -16.877 -0.661 18.230 1.00 0.00 H new ATOM 0 HB2 MET A 76 -15.038 0.288 16.015 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.790 0.309 16.046 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.775 2.041 17.787 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.026 1.974 17.875 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.907 4.599 15.874 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.615 3.198 16.932 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.488 3.021 15.166 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.337 -2.393 17.170 1.00 0.00 N ATOM 1182 CA GLY A 77 -13.952 -3.678 16.616 1.00 0.00 C ATOM 1183 C GLY A 77 -12.678 -3.599 15.798 1.00 0.00 C ATOM 1184 O GLY A 77 -11.889 -4.543 15.773 1.00 0.00 O ATOM 0 H GLY A 77 -13.569 -1.847 17.559 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.816 -4.394 17.427 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.760 -4.057 15.989 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.479 -2.471 15.125 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.293 -2.273 14.300 1.00 0.00 C ATOM 1190 C ILE A 78 -10.027 -2.279 15.149 1.00 0.00 C ATOM 1191 O ILE A 78 -9.781 -1.354 15.923 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.366 -0.948 13.518 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.554 -0.966 12.553 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.067 -0.706 12.763 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.774 0.351 11.842 1.00 0.00 C ATOM 0 H ILE A 78 -13.123 -1.680 15.135 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.258 -3.102 13.593 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.509 -0.132 14.226 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.397 -1.749 11.811 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.457 -1.227 13.105 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.134 0.234 12.215 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.239 -0.656 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.896 -1.523 12.062 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.632 0.265 11.175 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.963 1.134 12.577 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.887 0.604 11.262 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.225 -3.327 14.998 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.981 -3.454 15.748 1.00 0.00 C ATOM 1209 C ASP A 79 -6.809 -2.883 14.957 1.00 0.00 C ATOM 1210 O ASP A 79 -6.669 -3.140 13.760 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.714 -4.920 16.092 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.512 -5.138 17.579 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.652 -4.450 18.167 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.212 -5.998 18.153 1.00 0.00 O ATOM 0 H ASP A 79 -9.414 -4.102 14.362 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.084 -2.886 16.672 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.550 -5.529 15.749 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.829 -5.261 15.554 1.00 0.00 H new ATOM 1219 N LEU A 80 -5.968 -2.106 15.632 1.00 0.00 N ATOM 1220 CA LEU A 80 -4.808 -1.497 14.992 1.00 0.00 C ATOM 1221 C LEU A 80 -3.585 -2.402 15.106 1.00 0.00 C ATOM 1222 O LEU A 80 -2.669 -2.331 14.286 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.509 -0.136 15.622 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.112 0.980 14.655 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -2.762 0.682 14.022 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.177 1.160 13.583 1.00 0.00 C ATOM 0 H LEU A 80 -6.068 -1.883 16.622 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.038 -1.359 13.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.391 0.187 16.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.706 -0.263 16.348 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.030 1.910 15.217 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.496 1.487 13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.004 0.603 14.801 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.817 -0.258 13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.878 1.958 12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.291 0.231 13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.126 1.420 14.053 1.00 0.00 H new ATOM 1238 N ASP A 81 -3.579 -3.254 16.126 1.00 0.00 N ATOM 1239 CA ASP A 81 -2.471 -4.176 16.345 1.00 0.00 C ATOM 1240 C ASP A 81 -2.548 -5.356 15.382 1.00 0.00 C ATOM 1241 O ASP A 81 -1.546 -6.020 15.119 1.00 0.00 O ATOM 1242 CB ASP A 81 -2.477 -4.679 17.789 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.165 -4.414 18.500 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -0.991 -3.295 19.027 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -0.312 -5.325 18.531 1.00 0.00 O ATOM 0 H ASP A 81 -4.329 -3.325 16.814 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.541 -3.639 16.159 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.287 -4.196 18.335 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.681 -5.750 17.797 1.00 0.00 H new ATOM 1250 N GLU A 82 -3.743 -5.611 14.860 1.00 0.00 N ATOM 1251 CA GLU A 82 -3.950 -6.713 13.927 1.00 0.00 C ATOM 1252 C GLU A 82 -3.543 -6.312 12.512 1.00 0.00 C ATOM 1253 O GLU A 82 -3.092 -7.144 11.725 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.415 -7.155 13.942 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.317 -6.302 13.067 1.00 0.00 C ATOM 1256 CD GLU A 82 -7.785 -6.463 13.410 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.151 -7.521 13.966 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.568 -5.534 13.124 1.00 0.00 O ATOM 0 H GLU A 82 -4.583 -5.070 15.067 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.323 -7.546 14.244 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.476 -8.192 13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.784 -7.126 14.967 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.036 -5.254 13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.161 -6.569 12.022 1.00 0.00 H new ATOM 1265 N TRP A 83 -3.705 -5.032 12.197 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.355 -4.520 10.877 1.00 0.00 C ATOM 1267 C TRP A 83 -1.909 -4.855 10.529 1.00 0.00 C ATOM 1268 O TRP A 83 -1.584 -5.112 9.370 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.568 -3.006 10.822 1.00 0.00 C ATOM 1270 CG TRP A 83 -4.995 -2.615 10.585 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.103 -3.377 10.819 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.466 -1.367 10.064 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.236 -2.679 10.476 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.872 -1.443 10.011 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.838 -0.193 9.640 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.657 -0.389 9.549 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.619 0.851 9.181 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.015 0.748 9.140 1.00 0.00 C ATOM 0 H TRP A 83 -4.076 -4.330 12.837 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.005 -4.998 10.145 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.229 -2.564 11.759 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.948 -2.588 10.029 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.091 -4.381 11.216 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.192 -3.025 10.555 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.762 -0.103 9.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.734 -0.467 9.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.144 1.762 8.848 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.597 1.583 8.778 1.00 0.00 H new ATOM 1289 N SER A 84 -1.045 -4.851 11.539 1.00 0.00 N ATOM 1290 CA SER A 84 0.368 -5.152 11.338 1.00 0.00 C ATOM 1291 C SER A 84 0.586 -6.654 11.183 1.00 0.00 C ATOM 1292 O SER A 84 1.574 -7.091 10.592 1.00 0.00 O ATOM 1293 CB SER A 84 1.195 -4.623 12.511 1.00 0.00 C ATOM 1294 OG SER A 84 1.569 -5.673 13.386 1.00 0.00 O ATOM 0 H SER A 84 -1.299 -4.643 12.505 1.00 0.00 H new ATOM 0 HA SER A 84 0.693 -4.659 10.422 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.088 -4.124 12.135 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.619 -3.877 13.059 1.00 0.00 H new ATOM 0 HG SER A 84 2.098 -5.309 14.126 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.342 -7.439 11.718 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.253 -8.893 11.639 1.00 0.00 C ATOM 1302 C VAL A 85 -1.455 -9.478 10.906 1.00 0.00 C ATOM 1303 O VAL A 85 -1.980 -10.522 11.289 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.162 -9.526 13.040 1.00 0.00 C ATOM 1305 CG1 VAL A 85 1.065 -9.016 13.779 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -1.429 -9.245 13.835 1.00 0.00 C ATOM 0 H VAL A 85 -1.165 -7.093 12.211 1.00 0.00 H new ATOM 0 HA VAL A 85 0.656 -9.125 11.084 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.064 -10.606 12.926 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.112 -9.475 14.767 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.962 -9.274 13.216 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.002 -7.933 13.885 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.347 -9.700 14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.561 -8.168 13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.288 -9.666 13.312 1.00 0.00 H new ATOM 1316 N ALA A 86 -1.884 -8.798 9.848 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.022 -9.251 9.058 1.00 0.00 C ATOM 1318 C ALA A 86 -2.583 -9.689 7.664 1.00 0.00 C ATOM 1319 O ALA A 86 -1.391 -9.729 7.361 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.070 -8.153 8.963 1.00 0.00 C ATOM 0 H ALA A 86 -1.460 -7.931 9.518 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.461 -10.113 9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.914 -8.506 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.414 -7.891 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.634 -7.274 8.487 1.00 0.00 H new ATOM 1326 N THR A 87 -3.556 -10.017 6.819 1.00 0.00 N ATOM 1327 CA THR A 87 -3.270 -10.453 5.458 1.00 0.00 C ATOM 1328 C THR A 87 -3.824 -9.466 4.437 1.00 0.00 C ATOM 1329 O THR A 87 -5.021 -9.461 4.149 1.00 0.00 O ATOM 1330 CB THR A 87 -3.861 -11.848 5.180 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.719 -12.680 6.337 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.170 -12.501 3.992 1.00 0.00 C ATOM 0 H THR A 87 -4.548 -9.989 7.053 1.00 0.00 H new ATOM 0 HA THR A 87 -2.185 -10.500 5.362 1.00 0.00 H new ATOM 0 HB THR A 87 -4.919 -11.730 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.099 -13.564 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.604 -13.485 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.305 -11.880 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.106 -12.606 4.203 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.946 -8.632 3.890 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.347 -7.640 2.900 1.00 0.00 C ATOM 1342 C PHE A 88 -3.209 -8.196 1.486 1.00 0.00 C ATOM 1343 O PHE A 88 -2.100 -8.356 0.975 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.504 -6.372 3.046 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.057 -5.395 4.044 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.520 -5.830 5.276 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.115 -4.042 3.750 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.030 -4.933 6.195 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.624 -3.141 4.666 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.082 -3.587 5.891 1.00 0.00 C ATOM 0 H PHE A 88 -1.951 -8.624 4.116 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.394 -7.393 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.493 -6.650 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.427 -5.883 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.482 -6.881 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.758 -3.688 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.388 -5.285 7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.664 -2.089 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.480 -2.885 6.609 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.343 -8.489 0.858 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.349 -9.030 -0.496 1.00 0.00 C ATOM 1362 C TYR A 89 -4.410 -7.910 -1.530 1.00 0.00 C ATOM 1363 O TYR A 89 -5.335 -7.095 -1.527 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.536 -9.977 -0.683 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.695 -10.977 0.439 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.942 -12.144 0.468 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.598 -10.755 1.472 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.084 -13.062 1.492 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.746 -11.666 2.500 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.988 -12.818 2.505 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.132 -13.728 3.527 1.00 0.00 O ATOM 0 H TYR A 89 -5.269 -8.361 1.265 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.422 -9.585 -0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.450 -9.389 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.416 -10.515 -1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.233 -12.338 -0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.194 -9.855 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.491 -13.965 1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.452 -11.477 3.295 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.808 -13.406 4.159 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.420 -7.875 -2.414 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.359 -6.856 -3.456 1.00 0.00 C ATOM 1383 C LEU A 90 -4.171 -7.276 -4.677 1.00 0.00 C ATOM 1384 O LEU A 90 -4.548 -8.440 -4.814 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.906 -6.597 -3.859 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.052 -5.838 -2.843 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.748 -4.555 -2.414 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.754 -6.715 -1.636 1.00 0.00 C ATOM 0 H LEU A 90 -2.648 -8.541 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.788 -5.937 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.429 -7.556 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.904 -6.038 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.107 -5.573 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.126 -4.028 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.909 -3.920 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.708 -4.797 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.145 -6.159 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.690 -7.011 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.213 -7.605 -1.958 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.435 -6.322 -5.563 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.201 -6.593 -6.773 1.00 0.00 C ATOM 1402 C PHE A 91 -5.098 -5.429 -7.754 1.00 0.00 C ATOM 1403 O PHE A 91 -4.604 -4.355 -7.410 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.668 -6.854 -6.426 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.027 -8.312 -6.398 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.758 -9.126 -7.486 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.633 -8.868 -5.283 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.089 -10.468 -7.463 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -7.965 -10.210 -5.254 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.692 -11.011 -6.345 1.00 0.00 C ATOM 0 H PHE A 91 -4.129 -5.354 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.783 -7.482 -7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.886 -6.416 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.301 -6.346 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.284 -8.708 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.849 -8.246 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.876 -11.092 -8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.437 -10.631 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.949 -12.060 -6.324 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.567 -5.650 -8.977 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.529 -4.621 -10.009 1.00 0.00 C ATOM 1422 C ASP A 92 -6.913 -4.405 -10.613 1.00 0.00 C ATOM 1423 O ASP A 92 -7.913 -4.898 -10.091 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.534 -5.004 -11.106 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.482 -3.936 -11.333 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.486 -3.915 -10.580 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.656 -3.121 -12.263 1.00 0.00 O ATOM 0 H ASP A 92 -5.978 -6.534 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.205 -3.689 -9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.045 -5.940 -10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.074 -5.181 -12.036 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.963 -3.665 -11.715 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.224 -3.384 -12.391 1.00 0.00 C ATOM 1434 C ASP A 93 -8.699 -4.598 -13.184 1.00 0.00 C ATOM 1435 O ASP A 93 -9.833 -4.637 -13.658 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.072 -2.180 -13.321 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.394 -2.541 -14.629 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -8.094 -3.016 -15.547 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -6.165 -2.348 -14.734 1.00 0.00 O ATOM 0 H ASP A 93 -6.145 -3.249 -12.159 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.971 -3.154 -11.631 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.056 -1.759 -13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.494 -1.406 -12.817 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.822 -5.587 -13.323 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.151 -6.802 -14.058 1.00 0.00 C ATOM 1446 C ALA A 94 -8.493 -7.943 -13.105 1.00 0.00 C ATOM 1447 O ALA A 94 -8.724 -9.073 -13.533 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.997 -7.199 -14.967 1.00 0.00 C ATOM 0 H ALA A 94 -6.878 -5.570 -12.936 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.029 -6.600 -14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.257 -8.108 -15.509 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.801 -6.396 -15.678 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.105 -7.378 -14.366 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.523 -7.639 -11.811 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.836 -8.650 -10.819 1.00 0.00 C ATOM 1456 C GLY A 95 -7.701 -9.633 -10.613 1.00 0.00 C ATOM 1457 O GLY A 95 -7.932 -10.808 -10.334 1.00 0.00 O ATOM 0 H GLY A 95 -8.336 -6.710 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.068 -8.165 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.730 -9.192 -11.127 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.470 -9.150 -10.753 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.294 -9.996 -10.583 1.00 0.00 C ATOM 1463 C GLU A 96 -4.261 -9.317 -9.688 1.00 0.00 C ATOM 1464 O GLU A 96 -4.287 -8.101 -9.505 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.673 -10.322 -11.942 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.118 -9.107 -12.666 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.440 -9.466 -13.974 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.247 -10.673 -14.229 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.103 -8.540 -14.741 1.00 0.00 O ATOM 0 H GLU A 96 -6.261 -8.179 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.610 -10.923 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.872 -11.048 -11.801 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.426 -10.797 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.928 -8.404 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.404 -8.598 -12.019 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.352 -10.114 -9.134 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.311 -9.590 -8.257 1.00 0.00 C ATOM 1478 C GLU A 97 -1.157 -9.010 -9.070 1.00 0.00 C ATOM 1479 O GLU A 97 -0.168 -9.691 -9.337 1.00 0.00 O ATOM 1480 CB GLU A 97 -1.793 -10.692 -7.330 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.204 -10.508 -5.878 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.525 -11.822 -5.192 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.687 -12.271 -5.285 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -1.615 -12.401 -4.563 1.00 0.00 O ATOM 0 H GLU A 97 -3.315 -11.123 -9.277 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.745 -8.792 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.160 -11.655 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.705 -10.724 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.401 -10.007 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.076 -9.855 -5.831 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.292 -7.747 -9.460 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.262 -7.074 -10.243 1.00 0.00 C ATOM 1493 C ASN A 98 0.149 -5.760 -9.586 1.00 0.00 C ATOM 1494 O ASN A 98 -0.498 -5.293 -8.649 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.763 -6.812 -11.665 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.458 -7.962 -12.606 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.025 -9.127 -12.319 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.278 -7.803 -13.579 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.105 -7.169 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 98 0.610 -7.726 -10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.839 -6.640 -11.642 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.303 -5.901 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.692 -6.889 -13.761 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.474 -8.585 -14.204 1.00 0.00 H new ATOM 1505 N PHE A 99 1.228 -5.167 -10.086 1.00 0.00 N ATOM 1506 CA PHE A 99 1.726 -3.907 -9.548 1.00 0.00 C ATOM 1507 C PHE A 99 1.686 -2.810 -10.608 1.00 0.00 C ATOM 1508 O PHE A 99 2.717 -2.241 -10.968 1.00 0.00 O ATOM 1509 CB PHE A 99 3.156 -4.078 -9.030 1.00 0.00 C ATOM 1510 CG PHE A 99 3.993 -4.997 -9.872 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.694 -4.512 -10.964 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.078 -6.348 -9.573 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.466 -5.355 -11.741 1.00 0.00 C ATOM 1514 CE2 PHE A 99 4.848 -7.195 -10.346 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.542 -6.699 -11.433 1.00 0.00 C ATOM 0 H PHE A 99 1.774 -5.539 -10.863 1.00 0.00 H new ATOM 0 HA PHE A 99 1.080 -3.614 -8.721 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.637 -3.101 -8.985 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.121 -4.463 -8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.637 -3.462 -11.211 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.536 -6.743 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.009 -4.963 -12.588 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.908 -8.245 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.142 -7.361 -12.040 1.00 0.00 H new ATOM 1525 N SER A 100 0.488 -2.518 -11.104 1.00 0.00 N ATOM 1526 CA SER A 100 0.313 -1.492 -12.125 1.00 0.00 C ATOM 1527 C SER A 100 0.334 -0.098 -11.505 1.00 0.00 C ATOM 1528 O SER A 100 0.711 0.071 -10.346 1.00 0.00 O ATOM 1529 CB SER A 100 -1.003 -1.709 -12.875 1.00 0.00 C ATOM 1530 OG SER A 100 -1.036 -0.957 -14.076 1.00 0.00 O ATOM 0 H SER A 100 -0.376 -2.977 -10.815 1.00 0.00 H new ATOM 0 HA SER A 100 1.142 -1.570 -12.829 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.125 -2.768 -13.102 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.840 -1.421 -12.239 1.00 0.00 H new ATOM 0 HG SER A 100 -1.886 -1.114 -14.537 1.00 0.00 H new ATOM 1536 N SER A 101 -0.073 0.896 -12.287 1.00 0.00 N ATOM 1537 CA SER A 101 -0.097 2.277 -11.818 1.00 0.00 C ATOM 1538 C SER A 101 -0.794 2.378 -10.464 1.00 0.00 C ATOM 1539 O SER A 101 -0.451 3.224 -9.639 1.00 0.00 O ATOM 1540 CB SER A 101 -0.805 3.172 -12.836 1.00 0.00 C ATOM 1541 OG SER A 101 0.045 4.218 -13.274 1.00 0.00 O ATOM 0 H SER A 101 -0.391 0.771 -13.248 1.00 0.00 H new ATOM 0 HA SER A 101 0.933 2.614 -11.704 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.122 2.575 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.706 3.594 -12.390 1.00 0.00 H new ATOM 0 HG SER A 101 -0.430 4.775 -13.925 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.775 1.508 -10.244 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.521 1.500 -8.992 1.00 0.00 C ATOM 1549 C ARG A 102 -2.617 0.086 -8.425 1.00 0.00 C ATOM 1550 O ARG A 102 -2.127 -0.869 -9.028 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.924 2.070 -9.206 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.912 1.063 -9.773 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.281 1.688 -9.992 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.936 1.164 -11.187 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.967 1.757 -11.779 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -8.456 2.889 -11.291 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -8.510 1.219 -12.864 1.00 0.00 N ATOM 0 H ARG A 102 -2.071 0.800 -10.916 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.987 2.125 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.304 2.443 -8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.861 2.924 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.534 0.673 -10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.002 0.217 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.909 1.499 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.176 2.769 -10.081 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.583 0.296 -11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.040 3.307 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.248 3.342 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.136 0.350 -13.244 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.302 1.675 -13.318 1.00 0.00 H new ATOM 1571 N MET A 103 -3.249 -0.039 -7.263 1.00 0.00 N ATOM 1572 CA MET A 103 -3.409 -1.336 -6.617 1.00 0.00 C ATOM 1573 C MET A 103 -4.592 -1.322 -5.654 1.00 0.00 C ATOM 1574 O MET A 103 -4.887 -0.300 -5.033 1.00 0.00 O ATOM 1575 CB MET A 103 -2.131 -1.717 -5.867 1.00 0.00 C ATOM 1576 CG MET A 103 -1.321 -2.802 -6.558 1.00 0.00 C ATOM 1577 SD MET A 103 0.417 -2.782 -6.081 1.00 0.00 S ATOM 1578 CE MET A 103 0.741 -4.535 -5.907 1.00 0.00 C ATOM 0 H MET A 103 -3.658 0.742 -6.750 1.00 0.00 H new ATOM 0 HA MET A 103 -3.603 -2.078 -7.392 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.509 -0.829 -5.751 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.395 -2.055 -4.865 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.748 -3.776 -6.319 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.399 -2.676 -7.638 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.075 -4.744 -4.891 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.171 -5.096 -6.112 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.517 -4.833 -6.612 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.267 -2.460 -5.535 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.419 -2.576 -4.649 1.00 0.00 C ATOM 1590 C TYR A 104 -6.130 -3.541 -3.503 1.00 0.00 C ATOM 1591 O TYR A 104 -5.605 -4.634 -3.714 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.645 -3.050 -5.433 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.155 -2.035 -6.431 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.258 -0.691 -6.094 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.532 -2.421 -7.712 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.725 0.239 -7.003 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.998 -1.497 -8.627 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.093 -0.169 -8.268 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.556 0.755 -9.176 1.00 0.00 O ATOM 0 H TYR A 104 -5.036 -3.315 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.623 -1.591 -4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.395 -3.971 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.444 -3.290 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.968 -0.368 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.459 -3.460 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.801 1.280 -6.724 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.286 -1.813 -9.619 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.771 0.305 -10.020 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.478 -3.128 -2.289 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.257 -3.954 -1.108 1.00 0.00 C ATOM 1611 C CYS A 105 -7.583 -4.401 -0.501 1.00 0.00 C ATOM 1612 O CYS A 105 -8.250 -3.632 0.192 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.439 -3.186 -0.069 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.069 -1.529 0.288 1.00 0.00 S ATOM 0 H CYS A 105 -6.914 -2.226 -2.097 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.701 -4.841 -1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.415 -3.761 0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.410 -3.104 -0.420 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.357 -1.581 0.453 1.00 0.00 H new ATOM 1620 N SER A 106 -7.960 -5.647 -0.767 1.00 0.00 N ATOM 1621 CA SER A 106 -9.209 -6.195 -0.251 1.00 0.00 C ATOM 1622 C SER A 106 -8.967 -6.986 1.031 1.00 0.00 C ATOM 1623 O SER A 106 -7.922 -7.616 1.198 1.00 0.00 O ATOM 1624 CB SER A 106 -9.869 -7.092 -1.300 1.00 0.00 C ATOM 1625 OG SER A 106 -8.983 -7.356 -2.375 1.00 0.00 O ATOM 0 H SER A 106 -7.418 -6.297 -1.337 1.00 0.00 H new ATOM 0 HA SER A 106 -9.875 -5.363 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.176 -8.031 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.772 -6.612 -1.678 1.00 0.00 H new ATOM 0 HG SER A 106 -9.427 -7.932 -3.031 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.941 -6.949 1.934 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.835 -7.661 3.202 1.00 0.00 C ATOM 1633 C PHE A 107 -9.984 -9.165 2.996 1.00 0.00 C ATOM 1634 O PHE A 107 -9.739 -9.955 3.907 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.899 -7.161 4.182 1.00 0.00 C ATOM 1636 CG PHE A 107 -12.298 -7.247 3.643 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -12.985 -8.450 3.650 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -12.926 -6.124 3.129 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -14.273 -8.532 3.155 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -14.214 -6.200 2.633 1.00 0.00 C ATOM 1641 CZ PHE A 107 -14.888 -7.406 2.645 1.00 0.00 C ATOM 0 H PHE A 107 -10.813 -6.434 1.811 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.847 -7.466 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.836 -7.742 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.682 -6.125 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -12.509 -9.334 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.403 -5.179 3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -14.798 -9.476 3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.693 -5.317 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 107 -15.894 -7.468 2.256 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.389 -9.553 1.791 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.574 -10.962 1.464 1.00 0.00 C ATOM 1653 C TYR A 108 -9.522 -11.432 0.465 1.00 0.00 C ATOM 1654 O TYR A 108 -8.964 -10.649 -0.303 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.975 -11.195 0.895 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.201 -10.533 -0.445 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.462 -9.171 -0.534 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.154 -11.269 -1.622 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.671 -8.562 -1.756 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.360 -10.668 -2.849 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.619 -9.315 -2.911 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.824 -8.712 -4.131 1.00 0.00 O ATOM 0 H TYR A 108 -10.595 -8.912 1.025 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.461 -11.540 2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.144 -12.267 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.713 -10.821 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.502 -8.578 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.953 -12.329 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.874 -7.502 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.318 -11.255 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.753 -9.382 -4.843 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.244 -12.745 0.474 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.258 -13.351 -0.426 1.00 0.00 C ATOM 1674 C PRO A 109 -8.727 -13.360 -1.877 1.00 0.00 C ATOM 1675 O PRO A 109 -9.894 -13.111 -2.180 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.128 -14.781 0.103 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.423 -15.052 0.786 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.870 -13.737 1.363 1.00 0.00 C ATOM 0 HA PRO A 109 -7.319 -12.798 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.952 -15.488 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.290 -14.873 0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.161 -15.441 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.302 -15.801 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.956 -13.647 1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.539 -13.618 2.395 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.797 -13.655 -2.798 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.093 -13.705 -4.233 1.00 0.00 C ATOM 1688 C PRO A 110 -8.976 -14.892 -4.602 1.00 0.00 C ATOM 1689 O PRO A 110 -9.972 -14.741 -5.310 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.710 -13.848 -4.875 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.867 -14.481 -3.822 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.387 -13.964 -2.509 1.00 0.00 C ATOM 0 HA PRO A 110 -8.645 -12.826 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.752 -14.465 -5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.310 -12.879 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.936 -15.568 -3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.817 -14.222 -3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.293 -14.708 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.841 -13.080 -2.181 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.606 -16.072 -4.118 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.366 -17.286 -4.396 1.00 0.00 C ATOM 1702 C ASP A 111 -8.727 -18.494 -3.718 1.00 0.00 C ATOM 1703 O ASP A 111 -9.422 -19.411 -3.282 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.459 -17.520 -5.904 1.00 0.00 C ATOM 1705 CG ASP A 111 -10.882 -17.425 -6.418 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -11.659 -18.378 -6.195 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.219 -16.399 -7.044 1.00 0.00 O ATOM 0 H ASP A 111 -7.784 -16.214 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.371 -17.157 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.839 -16.788 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.055 -18.504 -6.142 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.400 -18.487 -3.636 1.00 0.00 N ATOM 1713 CA GLU A 112 -6.669 -19.585 -3.013 1.00 0.00 C ATOM 1714 C GLU A 112 -7.217 -19.883 -1.621 1.00 0.00 C ATOM 1715 O GLU A 112 -7.624 -18.976 -0.896 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.179 -19.249 -2.926 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.274 -20.357 -3.438 1.00 0.00 C ATOM 1718 CD GLU A 112 -2.831 -19.913 -3.577 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -2.467 -19.411 -4.662 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -2.064 -20.069 -2.604 1.00 0.00 O ATOM 0 H GLU A 112 -6.810 -17.735 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.799 -20.472 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.986 -18.341 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.924 -19.033 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.325 -21.207 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.639 -20.702 -4.405 1.00 0.00 H new